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Sample records for excited nuclear states

  1. Measurement of the excited-state transverse hyperfine coupling in NV centers via dynamic nuclear polarization

    Science.gov (United States)

    Poggiali, F.; Cappellaro, P.; Fabbri, N.

    2017-05-01

    Precise knowledge of a quantum system's Hamiltonian is a critical pre-requisite for its use in many quantum information technologies. Here, we report a method for the precise characterization of the nonsecular part of the excited-state Hamiltonian of an electronic-nuclear spin system in diamond. The method relies on the investigation of the dynamic nuclear polarization mediated by the electronic spin, which is currently exploited as a primary tool for initializing nuclear qubits and performing enhanced nuclear magnetic resonance. By measuring the temporal evolution of the population of the ground-state hyperfine levels of a nitrogen-vacancy center, we obtain the first direct estimation of the excited-state transverse hyperfine coupling between its electronic and nitrogen nuclear spin. Our method could also be applied to other electron-nuclear spin systems, such as those related to defects in silicon carbide.

  2. Exotic nuclear excitations

    CERN Document Server

    Pancholi, S C

    2011-01-01

    By providing the reader with a foundational background in high spin nuclear structure physics and exploring exciting current discoveries in the field, this book presents new phenomena in a clear and compelling way. The quest for achieving the highest spin states has resulted in some remarkable successes which this monograph will address in comprehensive detail. The text covers an array of pertinent subject matter, including the rotational alignment and bandcrossings, magnetic rotation, triaxial strong deformation and wobbling motion and chirality in nuclei. Dr. Pancholi offers his readers a clearly-written and up-to-date treatment of the topics covered. The prerequisites for a proper appreciation are courses in nuclear physics and nuclear models and measurement techniques of observables like gamma-ray energies, intensities, multi-fold coincidences, angular correlations or distributions, linear polarization, internal conversion coefficients, short lifetime (pico-second range) of excited states etc. and instrum...

  3. Excited states

    CERN Document Server

    Lim, Edward C

    1974-01-01

    Excited States, Volume I reviews radiationless transitions, phosphorescence microwave double resonance through optical spectra in molecular solids, dipole moments in excited states, luminescence of polar molecules, and the problem of interstate interaction in aromatic carbonyl compounds. The book discusses the molecular electronic radiationless transitions; the double resonance techniques and the relaxation mechanisms involving the lowest triplet state of aromatic compounds; as well as the optical spectra and relaxation in molecular solids. The text also describes dipole moments and polarizab

  4. Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative

    Energy Technology Data Exchange (ETDEWEB)

    Obaid, Rana [Institut für Theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Wien (Austria); Faculty of Pharmacy, Al-Quds University, Abu Dis, Palestine (Country Unknown); Kinzel, Daniel; Oppel, Markus, E-mail: markus.oppel@univie.ac.at; González, Leticia [Institut für Theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Wien (Austria)

    2014-10-28

    Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.

  5. Nuclear expansion with excitation

    Energy Technology Data Exchange (ETDEWEB)

    De, J.N. [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain); Samaddar, S.K. [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Vinas, X. [Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain); Centelles, M. [Departament d' Estructura i Constituents de la Materia, Facultat de Fisica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona (Spain)]. E-mail: mario@ecm.ub.es

    2006-07-06

    The expansion of an isolated hot spherical nucleus with excitation energy and its caloric curve are studied in a thermodynamic model with the SkM{sup *} force as the nuclear effective two-body interaction. The calted results are shown to compare well with the recent experimental data from energetic nuclear collisions. The fluctuations in temperature and density are also studied. They are seen to build up very rapidly beyond an excitation energy of {approx}9 MeV/u. Volume-conserving quadrupole deformation in addition to expansion indicates, however, nuclear disassembly above an excitation energy of {approx}4 MeV/u.

  6. Excited states 2

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 2 is a collection of papers that deals with molecules in the excited states. The book describes the geometries of molecules in the excited electronic states. One paper describes the geometries of a diatomic molecule and of polyatomic molecules; it also discusses the determination of the many excited state geometries of molecules with two, three, or four atoms by techniques similar to diatomic spectroscopy. Another paper introduces an ordered theory related to excitons in pure and mixed molecular crystals. This paper also presents some experimental data such as those invo

  7. Excitation of compound states in the subsystems as indirect tool in nuclear astrophysics

    Directory of Open Access Journals (Sweden)

    Tribble R.E.

    2010-03-01

    Full Text Available Astrophysical reactions proceeding through compound states represent one of the crucial part of nuclear astrophysics. However, due to the presence of the Coulomb barrier, it is often very difficult or even impossible to obtain the astrophysical S (E factor from measurements in the laboratory at astrophysically relevant energies. The Trojan Horse method (THM provides a unique tool to obtain the information about resonant astrophysical reactions at astrophysically relevant energies. Here the theory and application of the THM for the resonant reactions is addressed.

  8. Excited states 4

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 4 is a collection of papers that deals with the excited states of molecular activity. One paper investigates the resonance Raman spectroscopy as the key to vibrational-electronic coupling. This paper reviews the basic theory of Raman scattering; it also explains the derivation of the Raman spectra, excitation profiles, and depolarization ratios for simple resonance systems. Another paper reviews the magnetic properties of triplet states, including the zero-field resonance techniques, the high-field experiments, and the spin Hamiltonian. This paper focuses on the magnetic

  9. Nuclear Excitations by Antiprotons and Antiprotonic Atoms

    CERN Multimedia

    2002-01-01

    The proposal aims at the investigation of nuclear excitations following the absorption and annihilation of stopped antiprotons in heavier nuclei and at the same time at the study of the properties of antiprotonic atoms. The experimental arrangement will consist of a scintillation counter telescope for the low momentum antiproton beam from LEAR, a beam degrader, a pion multiplicity counter, a monoisotopic target and Ge detectors for radiation and charged particles. The data are stored by an on-line computer.\\\\ \\\\ The Ge detectors register antiprotonic x-rays and nuclear @g-rays which are used to identify the residual nucleus and its excitation and spin state. Coincidences between the two detectors will indicate from which quantum state the antiprotons are absorbed and to which nuclear states the various reactions are leading. The measured pion multiplicity characterizes the annihilation process. Ge&hyphn. and Si-telescopes identify charged particles and determine their energies.\\\\ \\\\ The experiment will gi...

  10. Determination of lifetimes of nuclear excited states using the Recoil Distance Doppler Shift Method in combination with magnetic spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Doncel, M. [Universidad de Salamanca, Laboratorio de Radiaciones Ionizantes, Salamanca (Spain); Royal Institute of Technology, Department of Physics, Stockholm (Sweden); University of Liverpool, Department of Physics, Oliver Lodge Laboratory, Liverpool (United Kingdom); Gadea, A. [CSIC-University of Valencia, Istituto de Fisica Corpuscular, Valencia (Spain); Valiente-Dobon, J.J. [INFN, Laboratori Nazionali di Legnaro, Legnaro (Italy); Quintana, B. [Universidad de Salamanca, Laboratorio de Radiaciones Ionizantes, Salamanca (Spain); Modamio, V. [INFN, Laboratori Nazionali di Legnaro, Legnaro (Italy); University of Oslo, Oslo (Norway); Mengoni, D. [Dipartimento di Fisica e Astronomia, Universita di Padova, Padova (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Moeller, O.; Pietralla, N. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Dewald, A. [Institut fuer Kernphysik, Universitaet Koeln (Germany)

    2017-10-15

    The current work presents the determination of lifetimes of nuclear excited states using the Recoil Distance Doppler Shift Method, in combination with spectrometers for ion identification, normalizing the intensity of the peaks by the ions detected in the spectrometer as a valid technique that produces results comparable to the ones obtained by the conventional shifted-to-unshifted peak ratio method. The technique has been validated using data measured with the γ-ray array AGATA, the PRISMA spectrometer and the Cologne plunger setup. In this paper a test performed with the AGATA-PRISMA setup at LNL and the advantages of this new approach with respect to the conventional Recoil Distance Doppler Shift Method are discussed. (orig.)

  11. Nuclear Excitation by Electronic Transition of U-235

    Science.gov (United States)

    Chodash, Perry

    2017-01-01

    Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is theorized to exist in numerous isotopes. NEET is the inverse of bound internal conversion and occurs when an electronic transition couples to a nuclear transition causing the nucleus to enter an excited state. This process can only occur for isotopes with low-lying nuclear levels due to the requirement that the electronic and nuclear transitions have similar energies. One of the candidate isotopes for NEET, 235U, has been studied several times over the past 40 years and NEET of 235U has never been conclusively observed. These past experiments generated conflicting results with some experiments claiming to observe NEET of 235U and others setting limits for the NEET rate. If NEET of 235U were to occur, the uranium would be excited to its first excited nuclear state. The first excited nuclear state in 235U is only 76 eV, the second lowest known nuclear state. Additionally, the 76 eV state is a nuclear isomer that decays by internal conversion with a half-life of 26 minutes. In order to measure whether NEET occurs in 235U and at what rate, a uranium plasma was required. The plasma was generated using a Q-switched Nd:YAG laser outputting 789 mJ pulses of 1064 nm light. The laser light was focused onto uranium targets generating an intensity on target of order 1012 W/cm2. The resulting plasma was captured on a catcher plate and electrons emitted from the catcher plate were accelerated and focused onto a microchannel plate detector. Measurements performed using a variety of uranium targets spanning depleted uranium up to 99.4% enriched uranium did not observe a 26 minute decay. An upper limit for the NEET rate of 235U was determined. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The U.S. DHS, UC Berkeley, the NNIS fellowship and the NSSC further supported this work.

  12. Excited B states at LEP

    CERN Document Server

    Kluit, Peter M

    2005-01-01

    The first orbitally excited B states were discovered at LEP in 1995. In subsequent years evidence was put forward for the existence of several excited B hadron states. Now, ten years later it is time to review the situation. New analyses have been performed in DELPHI using the full LEP data set with improved and high performance analysis tools. Measurements for the production rate and masses of narrow and broad B/sub u, d//sup **/ mesons will be presented as well as results for the search for B/sub s//sup **/ mesons and Sigma /sub b//sup (*)/ baryons. The results will be compared to earlier measurements, predictions from HQET and measurements in the charm sector.

  13. A treatment of excited states in nucleosynthesis

    Science.gov (United States)

    Gupta, Sanjib Shankar

    2002-10-01

    Many isotopes of importance to nucleosynthesis have metastable states whose decay to the ground state is strongly inhibited by a high angular momentum difference. Traditionally, excited states of a nucleus have been treated by assuming attainment of thermal equilibrium; a Hauser-Feshbach calculation is then performed on the whole nucleus to determine nuclear reaction rates. A description of the nucleus when it is not in equilibrium, and a method for computing reaction rates that does not presume thermalization are presented in this work. In nucleosynthesis calculations, we may characterize the internal electromagnetic transitions of a nucleus as a Markov process. This allows us to decompose the interaction of radiation with nucleons into effective interactions between ensembles. Rather than consider a single isotope, we construct the canonical ensembles which are the true nuclear species of interest. We are then in a position to specify nonequilibrium occupations of the ensembles by discretizing the Nuclear Level Density function. The generality of the stochastic process identified at the outset now permits the description of nucleosynthesis as Markov flows in networks of suitably populated ensembles. This allows us to use as many excited states as we wish in nucleosyn thesis while tracking their nonequilibrium evolution as substochastic processes. A website utilizing these principles is discussed in some detail. It accesses the theoretical NLD database from the Brussels Intitute of Astrophysics to supplement adopted experimental data from the ENSDF database (maintained by Brookhaven National Laboratories). The composite is processed by a CGI (Common Gateway Interface) application to dynamically obtain plots and tables of rates on a specified temperature grid. Beta-decay rates are discussed for an isotope important to nuclear astrophysics ( 180TA) as a test-bed for the techniques implemented.

  14. The generalized centroid difference method for picosecond sensitive determination of lifetimes of nuclear excited states using large fast-timing arrays

    Energy Technology Data Exchange (ETDEWEB)

    Régis, J.-M., E-mail: regis@ikp.uni-koeln.de [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Mach, H. [Departamento de Física Atómica y Nuclear, Universidad Complutense, 28040 Madrid (Spain); Simpson, G.S. [Laboratoire de Physique Subatomique et de Cosmologie Grenoble, 53, rue des Martyrs, 38026 Grenoble Cedex (France); Jolie, J.; Pascovici, G.; Saed-Samii, N.; Warr, N. [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Bruce, A. [School of Computing, Engineering and Mathematics, University of Brighton, Lewes Road, Brighton BN2 4GJ (United Kingdom); Degenkolb, J. [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Fraile, L.M. [Departamento de Física Atómica y Nuclear, Universidad Complutense, 28040 Madrid (Spain); Fransen, C. [Institut für Kernphysik der Universität zu Köln, Zülpicher Str. 77, 50937 Köln (Germany); Ghita, D.G. [Horia Hulubei National Institute for Physics and Nuclear Engineering, 77125 Bucharest (Romania); and others

    2013-10-21

    A novel method for direct electronic “fast-timing” lifetime measurements of nuclear excited states via γ–γ coincidences using an array equipped with N∈N equally shaped very fast high-resolution LaBr{sub 3}(Ce) scintillator detectors is presented. Analogous to the mirror symmetric centroid difference method, the generalized centroid difference method provides two independent “start” and “stop” time spectra obtained by a superposition of the N(N−1)γ–γ time difference spectra of the N detector fast-timing system. The two fast-timing array time spectra correspond to a forward and reverse gating of a specific γ–γ cascade. Provided that the energy response and the electronic time pick-off of the detectors are almost equal, a mean prompt response difference between start and stop events is calibrated and used as a single correction for lifetime determination. These combined fast-timing arrays mean γ–γ time-walk characteristics can be determined for 40keV

  15. Excited-state Wigner crystals

    Science.gov (United States)

    Rogers, Fergus J. M.; Loos, Pierre-François

    2017-01-01

    Wigner crystals (WCs) are electronic phases peculiar to low-density systems, particularly in the uniform electron gas. Since its introduction in the early twentieth century, this model has remained essential to many aspects of electronic structure theory and condensed-matter physics. Although the (lowest-energy) ground-state WC (GSWC) has been thoroughly studied, the properties of excited-state WCs (ESWCs) are basically unknown. To bridge this gap, we present a well-defined procedure to obtain an entire family of ESWCs in a one-dimensional electron gas using a symmetry-broken mean-field approach. While the GSWC is a commensurate crystal (i.e., the number of density maxima equals the number of electrons), these ESWCs are incommensurate crystals exhibiting more or less maxima. Interestingly, they are lower in energy than the (uniform) Fermi fluid state. For some of these ESWCs, we have found asymmetrical band gaps, which would lead to anisotropic conductivity. These properties are associated with unusual characteristics in their electronic structure.

  16. Excited state Intramolecular Proton Transfer in Anthralin

    DEFF Research Database (Denmark)

    Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

    1998-01-01

    Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unus......Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results......, associated with an excited-state intramolecular proton transfer process....

  17. The mechanisms of Excited states in enzymes

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Bohr, Henrik

    2010-01-01

    Enzyme catalysis is studied on the basis of excited state processes, which are of electronic, vibrational and thermal nature. The ways of achieving the excited state, such as photo-absorption and ligand binding, are discussed and exemplified by various cases of enzymes.......Enzyme catalysis is studied on the basis of excited state processes, which are of electronic, vibrational and thermal nature. The ways of achieving the excited state, such as photo-absorption and ligand binding, are discussed and exemplified by various cases of enzymes....

  18. Excited State Dynamics of DNA and RNA bases

    Science.gov (United States)

    Hudock, Hanneli; Levine, Benjamin; Martinez, Todd

    2007-03-01

    Recent ultrafast spectroscopic experiments have reported excited state lifetimes for DNA and RNA bases and assigned these lifetimes to various electronic states. We have used theoretical and simulation methods to describe the excited state dynamics of these bases in an effort to provide a mechanistic explanation for the observed lifetimes. Our simulations are based on ab initio molecular dynamics, where the electronic and nuclear Schrodinger equations are solved simultaneously. The results are further verified by comparison to high-level ab initio electronic structure methods, including dynamic electron correlation effects through multireference perturbation theory, at important points along the dynamical pathways. Our results provide an explanation of the photochemical mechanism leading to nonradiative decay of the electronic excited states and some suggestions as to the origin of the different lifetimes. Comparisons between pyrimidines illustrate how chemical differences impact excited state dynamics and may play a role in explaining the propensity for dimer formation in thymine.

  19. Gross properties of nuclei and nuclear excitations XXI. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Feldmeier, H. [ed.

    1993-12-31

    These proceedings contain the articles and contributed papers presented at the named workshop. They are concerned with highly excited nuclear matter and relativistic heavy ion reactions together with some related topics. See hints under the relevant topics. (HSI)

  20. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

    Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;

  1. Charmonium excited state spectrum in lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Jozef Dudek; Robert Edwards; Nilmani Mathur; David Richards

    2008-02-01

    Working with a large basis of covariant derivative-based meson interpolating fields we demonstrate the feasibility of reliably extracting multiple excited states using a variational method. The study is performed on quenched anisotropic lattices with clover quarks at the charm mass. We demonstrate how a knowledge of the continuum limit of a lattice interpolating field can give additional spin-assignment information, even at a single lattice spacing, via the overlap factors of interpolating field and state. Excited state masses are systematically high with respect to quark potential model predictions and, where they exist, experimental states. We conclude that this is most likely a result of the quenched approximation.

  2. Search for excited states in 25O

    Science.gov (United States)

    Jones, M. D.; Fossez, K.; Baumann, T.; DeYoung, P. A.; Finck, J. E.; Frank, N.; Kuchera, A. N.; Michel, N.; Nazarewicz, W.; Rotureau, J.; Smith, J. K.; Stephenson, S. L.; Stiefel, K.; Thoennessen, M.; Zegers, R. G. T.

    2017-11-01

    Background: Theoretical calculations suggest the presence of low-lying excited states in 25O. Previous experimental searches by means of proton knockout on 26F produced no evidence for such excitations. Purpose: We search for excited states in 25O using the 24O(d ,p ) 25O reaction. The theoretical analysis of excited states in unbound O,2725 is based on the configuration interaction approach that accounts for couplings to the scattering continuum. Method: We use invariant-mass spectroscopy to measure neutron-unbound states in 25O. For the theoretical approach, we use the complex-energy Gamow Shell Model and Density Matrix Renormalization Group method with a finite-range two-body interaction optimized to the bound states and resonances of O-2623, assuming a core of 22O. We predict energies, decay widths, and asymptotic normalization coefficients. Results: Our calculations in a large s p d f space predict several low-lying excited states in 25O of positive and negative parity, and we obtain an experimental limit on the relative cross section of a possible Jπ=1/2 + state with respect to the ground state of 25O at σ1 /2 +/σg .s .=0 .25-0.25+1.0 . We also discuss how the observation of negative parity states in 25O could guide the search for the low-lying negative parity states in 27O. Conclusion: Previous experiments based on the proton knockout of 26F suffered from the low cross sections for the population of excited states in 25O because of low spectroscopic factors. In this respect, neutron transfer reactions carry more promise.

  3. Exotic States of Nuclear Matter

    Science.gov (United States)

    Lombardo, Umberto; Baldo, Marcello; Burgio, Fiorella; Schulze, Hans-Josef

    2008-02-01

    pt. A. Theory of nuclear matter EOS and symmetry energy. Constraining the nuclear equation of state from astrophysics and heavy ion reactions / C. Fuchs. In-medium hadronic interactions and the nuclear equation of state / F. Sammarruca. EOS and single-particle properties of isospin-asymmetric nuclear matter within the Brueckner theory / W. Zuo, U. Lombardo & H.-J. Schulze. Thermodynamics of correlated nuclear matter / A. Polls ... [et al.]. The validity of the LOCV formalism and neutron star properties / H. R. Moshfegh ... [et al.]. Ferromagnetic instabilities of neutron matter: microscopic versus phenomenological approaches / I. Vidaã. Sigma meson and nuclear matter saturation / A. B. Santra & U. Lombardo. Ramifications of the nuclear symmetry energy for neutron stars, nuclei and heavy-ion collisions / A. W. Steiner, B.-A. Li & M. Prakash. The symmetry energy in nuclei and nuclear matter / A. E. L. Dieperink. Probing the symmetry energy at supra-saturation densities / M. Di Toro et al. Investigation of low-density symmetry energy via nucleon and fragment observables / H. H. Wolter et al. Instability against cluster formation in nuclear and compact-star matter / C. Ducoin ... [et al.]. Microscopic optical potentials of nucleon-nucleus and nucleus-nucleus scattering / Z.-Y. Ma, J. Rong & Y.-Q. Ma -- pt. B. The neutron star crust: structure, formation and dynamics. Neutron star crust beyond the Wigner-Seitz approximation / N. Chamel. The inner crust of a neutron star within the Wigner-Seitz method with pairing: from drip point to the bottom / E. E. Saperstein, M. Baldo & S. V. Tolokonnikov. Nuclear superfluidity and thermal properties of neutron stars / N. Sandulescu. Collective excitations: from exotic nuclei to the crust of neutron stars / E. Khan, M. Grasso & J. Margueron. Monte Carlo simulation of the nuclear medium: fermi gases, nuclei and the role of Pauli potentials / M. A. Pérez-García. Low-density instabilities in relativistic hadronic models / C. Provid

  4. Computing correct truncated excited state wavefunctions

    Science.gov (United States)

    Bacalis, N. C.; Xiong, Z.; Zang, J.; Karaoulanis, D.

    2016-12-01

    We demonstrate that, if a wave function's truncated expansion is small, then the standard excited states computational method, of optimizing one "root" of a secular equation, may lead to an incorrect wave function - despite the correct energy according to the theorem of Hylleraas, Undheim and McDonald - whereas our proposed method [J. Comput. Meth. Sci. Eng. 8, 277 (2008)] (independent of orthogonality to lower lying approximants) leads to correct reliable small truncated wave functions. The demonstration is done in He excited states, using truncated series expansions in Hylleraas coordinates, as well as standard configuration-interaction truncated expansions.

  5. Excited states of muonium in atomic hydrogen

    Indian Academy of Sciences (India)

    Muonium formation in excited states in muon-hydrogen charge-exchange collision is investigated using a method developed in a previous paper. Differential cross-section results are found to resemble positronium formation cross-section results of positron-hydrogen charge-exchange problem. Forward differential and ...

  6. Excitation function calculations for α + {sup 93}Nb nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Yiğit, M., E-mail: mustafayigit@aksaray.edu.tr [Aksaray University, Physics Dept., Aksaray (Turkey); Tel, E. [Osmaniye Korkut Ata University, Physics Dept., Osmaniye (Turkey); Sarpün, İ.H. [Afyon Kocatepe University, Physics Dept., Afyonkarahisar (Turkey)

    2016-10-15

    In this study, the excitation functions of alpha-induced reactions on the {sup 93}Nb target nucleus were calculated by using ALICE-ASH code. The hybrid model, Weisskopf-Ewing model and geometry dependent hybrid model in this code were used to understand the alpha-niobium interaction. The contribution on the nuclear interaction of compound and pre-compound processes, with variation of the incident alpha particle energy, was presented. Furthermore, the reaction cross sections were calculated by using different level density models such as Superfluid nuclear model, Fermi gas model and Kataria-Ramamurthy Fermi gas model. Obtaining a good agreement between the calculated and the measured cross sections, the exciton numbers and the nuclear level density models were varied. Finally, the proper choice of the exciton numbers and the nuclear level density models was found to be quite important in order to obtain the more realistic cross section values.

  7. Excited states of {sup 4}He droplets

    Energy Technology Data Exchange (ETDEWEB)

    Guardiola, R.; Navarro, J.; Portesi, M.

    2001-06-01

    We study low-lying excited states of {sup 4}He clusters up to a cluster size of 40 atoms in a variational framework. The ansatz wave function combines two- and three-body correlations, coming from a translationally invariant configuration interaction description, and Jastrow-type short-range correlation. We have previously used this scheme to determine the ground-state energies of {sup 4}He and {sup 3}He clusters. Here we present an extension of this ansatz wave function having a good quantum angular momentum L. The variational procedure is applied independently to the cases with L=0,2,4, and upper bounds for the corresponding energies are thus obtained. Moreover, centroid energies for L excitations are calculated through the use of sum rules. A comparison with previous calculations is also made.

  8. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

    Rearrangements in Ground and Excited States, Volume 2 covers essays on the theoretical approach of rearrangements; the rearrangements involving boron; and the molecular rearrangements of organosilicon compounds. The book also includes essays on the polytopal rearrangement at phosphorus; the rearrangement in coordination complexes; and the reversible thermal intramolecular rearrangements of metal carbonyls. Chemists and people involved in the study of rearrangements will find the book invaluable.

  9. Excited state electron affinity calculations for aluminum

    Science.gov (United States)

    Hussein, Adnan Yousif

    2017-08-01

    Excited states of negative aluminum ion are reviewed, and calculations of electron affinities of the states (3s^23p^2)^1D and (3s3p^3){^5}{S}° relative to the (3s^23p)^2P° and (3s3p^2)^4P respectively of the neutral aluminum atom are reported in the framework of nonrelativistic configuration interaction (CI) method. A priori selected CI (SCI) with truncation energy error (Bunge in J Chem Phys 125:014107, 2006) and CI by parts (Bunge and Carbó-Dorca in J Chem Phys 125:014108, 2006) are used to approximate the valence nonrelativistic energy. Systematic studies of convergence of electron affinity with respect to the CI excitation level are reported. The calculated value of the electron affinity for ^1D state is 78.675(3) meV. Detailed Calculations on the ^5S°c state reveals that is 1216.8166(3) meV below the ^4P state.

  10. Excited States in Solution through Polarizable Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus; Aidas, Kestutis; Kongsted, Jacob

    2010-01-01

    We present theory and implementation of an advanced quantum mechanics/molecular mechanics (QM/MM) approach using a fully self-consistent polarizable embedding (PE) scheme. It is a polarizable layered model designed for effective yet accurate inclusion of an anisotropic medium in a quantum...... mechanical calculation. The polarizable embedding potential is described by an atomistic representation including terms up to localized octupoles and anisotropic polarizabilities. It is generally applicable to any quantum chemical description but is here implemented for the case of Kohn−Sham density...... functional theory which we denote the PE-DFT method. It has been implemented in combination with time-dependent quantum mechanical linear and nonlinear response techniques, thus allowing for assessment of electronic excitation processes and dynamic ground- and excited-state molecular properties using...

  11. Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes

    DEFF Research Database (Denmark)

    Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper Skov

    2014-01-01

    excited anthracene state (LE) and an excited state complex (exciplex, EP) in non-polar solvents. The kinetics of the excited state processes were established in decalin from the time-resolved emission, and was shown to be strongly influenced by an electron-transfer state (ET). For quantitative studies...

  12. Excitation of the isomeric states 1h sub 1 sub 1 sub / sub 2 in the nuclear reactions with gamma-quanta, neutrons and at beta decay

    CERN Document Server

    Belov, A G; Melnikova, L M; Ponomarev, V Yu; Tsoneva, N; Stoyanov, C; Balabanov, N P; Tonchev, A P

    2001-01-01

    The isomeric ratios (IR) were measured in the isotones with N = 81 ( sup 1 sup 3 sup 5 Xe, sup 1 sup 3 sup 7 Ba, sup 1 sup 3 sup 9 Ce, sup 1 sup 4 sup 1 Nd, and sup 1 sup 4 sup 3 Sm). Isomers with J suppi 11/2 sup - were excited in the reactions (n, gamma), (gamma, n), and beta sup + decay of sup 1 sup 3 sup 9 Pr and sup 1 sup 4 sup 1 Pm. The activation methods of gamma-spectrum measurement of reaction products was used. The marked difference of IR was observed in the isotones with the different atomic numbers Z but in the same reactions. The calculations of IR using low-level spectrum of final nuclei and probability of radiation transitions on the base of the quasiparticle phonon model were performed. The satisfactory agreement of the measured and calculated IR was obtained for all studied isotopes. The dependence of IR on Z is explained by the different energy of reaction and different probability levels population of the activation

  13. Holographic construction of excited CFT states

    Energy Technology Data Exchange (ETDEWEB)

    Christodoulou, Ariana; Skenderis, Kostas [STAG Research Centre and Mathematical Sciences, University of Southampton,High-field, Southampton SO17 1BJ (United Kingdom)

    2016-04-15

    We present a systematic construction of bulk solutions that are dual to CFT excited states. The bulk solution is constructed perturbatively in bulk fields. The linearised solution is universal and depends only on the conformal dimension of the primary operator that is associated with the state via the operator-state correspondence, while higher order terms depend on detailed properties of the operator, such as its OPE with itself and generally involve many bulk fields. We illustrate the discussion with the holographic construction of the universal part of the solution for states of two dimensional CFTs, either on R×S{sup 1} or on R{sup 1,1}. We compute the 1-point function both in the CFT and in the bulk, finding exact agreement. We comment on the relation with other reconstruction approaches.

  14. Identification of excited states in conjugated polymers

    CERN Document Server

    Hartwell, L J

    2003-01-01

    This thesis reports quasi steady state photoinduced absorption measurements from three conjugated polymers: polypyridine (PPy), polyfluorene (PFO) and the emeraldine base (EB) form of polyaniline. The aim of these experiments was to determine the nature of the photoexcited states existing in these materials in the millisecond time domain, as this has important consequences for the operation of real devices manufactured using these materials. The results from the photoinduced absorption experiments are closely compared with published results from pulse radiolysis experiments. In all cases there is very good correspondence between the two data sets, which has enabled the photoexcited states to be assigned with a high degree of confidence. Quasi steady-state photoinduced absorption involves the measurement of the change in absorption of a material in response to optical excitation with a laser beam. The changes in absorption are small, so a instrument was developed and optimised for each different sample. Lock-i...

  15. Theory of nuclear excitation by electron capture for heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Gagyi-Palffy, A.

    2006-07-01

    The resonant process of nuclear excitation by electron capture (NEEC) in collisions involving highly-charged ions has been investigated theoretically. NEEC is a rare recombination process in which a free electron is captured into a bound shell of an ion with the simultaneous excitation of the nucleus. Total cross sections for NEEC followed by the radiative decay of the excited nucleus are presented for various collision systems. The possibility to observe the NEEC in scattering experiments with trapped or stored ions was discussed focusing on the cases with the largest calculated resonance strength. As the photons emitted in different channels of the electron recombination process are indistinguishable in the total cross section, the interference between NEEC followed by the radiative decay of the nucleus and radiative recombination was investigated. The angular distribution of the emitted photons in the recombination process provides means to discern the two processes. Angular differential cross sections for the emitted photons in the case of E2 nuclear transitions were presented for several heavy elements. (orig.)

  16. First 3- excited state of Fe56

    Science.gov (United States)

    Fotiades, N.; Nelson, R. O.; Devlin, M.

    2010-03-01

    There is no reliable evidence for the existence of the 3.076 MeV (3-) level adopted in the ENSDF evaluation for Fe56 although it has been reported in a few experiments. Previous reports of the observation of this level appear to be based on an incorrect assignment in early (e,e') work. Recent neutron inelastic scattering measurements by Demidov [Phys. At. Nucl. 67, 1884, (2004)] show that the assigned γ-ray decay of this state does not occur at a level consistent with known properties of inelastic scattering. In the present work the Fe56(n,n'γ) reaction was used to populate excited states in Fe56. Neutrons in the energy range from 1 to 250 MeV were provided by the pulsed neutron source of the Los Alamos Neutron Science Center’s WNR facility. Deexciting γ rays were detected with the GEANIE spectrometer, a Compton suppressed array of 26 Ge detectors. The γ-γ data obtained with GEANIE were used to establish coincidence relations between transitions. All previously reported levels up to Ex=3.6 MeV excitation energy were observed except for the 3.076 MeV (3-) level. The 991- and 2229-keV transitions, previously reported to deexcite this level, were not observed in the γ-γ coincidence data obtained in the present experiment. The present work supports the assignment of the 4509.6 keV level as the first 3- excited state in Fe56 by observation of two previously known transitions deexciting this state.

  17. Soliton-like states of pionic field in nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Kurilkin, N.N.; Mishustin, I.N.; Khodel, V.A. (Gosudarstvennyj Komitet po Ispol' zovaniyu Atomnoj Ehnergii SSSR, Moscow. Inst. Atomnoj Ehnergii)

    1982-07-01

    Basing on the Weinberg nonlinear lagrangian, a possible existence of soliton-like clusters of pionic field in nuclear matter is shown. The clusters are multi-pion coherent states strongly interacting with the nuclear matter. The stability of these states with respect to various decay channels, in particular, decays into separate pions, is investigated. Properties of the pionic solitons and their relations to parameters of the sepctrum of linear pionic excitations in the nuclear matter are discussed.

  18. Semiclassical quantization of highly excited scar states

    Science.gov (United States)

    Vergini, Eduardo G.

    2017-04-01

    The semiclassical quantization of Hamiltonian systems with classically chaotic dynamics is restricted to low excited states, close to the ground state, because the number of required periodic orbits grows exponentially with energy. Nevertheless, here we demonstrate that it is possible to find eigenenergies of highly excited states scarred by a short periodic orbit. Specifically, by using 18146 homoclinic orbits (HO)s of the shortest periodic orbit of the hyperbola billiard, we find eigenenergies of the strongest scars over a range which includes 630 even eigenfunctions. The analysis of data reveals that the used semiclassical formula presents two regimes. First, when all HOs with excursion time smaller than the Heisenberg time t H are included, the error is around 3.3% of the mean level spacing. Second, in the energy region defined by \\tilde{t}/ tH > 0.13 , where \\tilde{t} is the maximum excursion time included in the calculation, the error is around 15% of the mean level spacing.

  19. Excited state dynamics of DNA bases

    Czech Academy of Sciences Publication Activity Database

    Kleinermanns, K.; Nachtigallová, Dana; de Vries, M. S.

    2013-01-01

    Roč. 32, č. 2 (2013), s. 308-342 ISSN 0144-235X R&D Projects: GA ČR GAP208/12/1318 Grant - others:National Science Foundation(US) CHE-0911564; NASA(US) NNX12AG77G; Deutsche Forschungsgemeinschaft(DE) SFB 663; Deutsche Forschungsgemeinschaft(DE) KI 531-29 Institutional support: RVO:61388963 Keywords : DNA bases * nucleobases * excited state * dynamics * computations * gas phase * conical intersections Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.920, year: 2013

  20. Neutral excitations in the Gaffnian state

    Science.gov (United States)

    Kang, Byungmin; Moore, Joel E.

    2017-06-01

    We study a model fractional quantum Hall (FQH) wave function called the Gaffnian state, which is believed to represent a gapless, strongly correlated state that is very different from conventional metals. To understand this exotic gapless state better, we provide a representation based on work of Halperin in which the pairing structure of the Gaffnian state becomes more explicit. We employ the single-mode approximation introduced by Girvin, MacDonald, and Platzman, here extended to three-body interactions, in order to treat a neutral collective excitation mode in order to clarify the physical origin of the gaplessness of the Gaffnian state. We discuss approaches to extract systematically the relevant physics in the long-distance, large-electron-number limit of FQH states using numerical calculations with relatively few electrons. In Appendices, we provide second-quantized expressions for many-body Haldane pseudopotentials in various geometries including the plane, sphere, cylinder, and torus based on the proper definition of the relative angular momentum.

  1. Radiative and Excited State Charmonium Physics

    Energy Technology Data Exchange (ETDEWEB)

    Jozef Dudek

    2007-07-30

    Renewed interest in the spectroscopy of charmonium has arisen from recent unexpected observations at $e^+e^-$ colliders. Here we report on a series of works from the previous two years examining the radiative physics of charmonium states as well as the mass spectrum of states of higher spin and internal excitation. Using new techniques applied to Domain-Wall and Clover quark actions on quenched isotropic and anisotropic lattices, radiative transitions and two-photon decays are considered for the first time. Comparisons are made with experimental results and with model approaches. Forthcoming application to the light-quark sector of relevance to experiments like Jefferson Lab's GlueX is discussed.

  2. Solid-State Nuclear Power

    Science.gov (United States)

    George, Jeffrey A.

    2012-01-01

    A strategy for "Solid-State" Nuclear Power is proposed to guide development of technologies and systems into the second 50 years of nuclear spaceflight. The strategy emphasizes a simple and highly integrated system architecture with few moving parts or fluid loops; the leverage of modern advances in materials, manufacturing, semiconductors, microelectromechanical and nanotechnology devices; and the targeted advancement of high temperature nuclear fuels, materials and static power conversion to enable high performance from simple system topologies.

  3. Electron affinity and excited states of methylglyoxal

    Science.gov (United States)

    Dauletyarov, Yerbolat; Dixon, Andrew R.; Wallace, Adam A.; Sanov, Andrei

    2017-07-01

    Using photoelectron imaging spectroscopy, we characterized the anion of methylglyoxal (X2A″ electronic state) and three lowest electronic states of the neutral methylglyoxal molecule: the closed-shell singlet ground state (X1A'), the lowest triplet state (a3A″), and the open-shell singlet state (A1A″). The adiabatic electron affinity (EA) of the ground state, EA(X1A') = 0.87(1) eV, spectroscopically determined for the first time, compares to 1.10(2) eV for unsubstituted glyoxal. The EAs (adiabatic attachment energies) of two excited states of methylglyoxal were also determined: EA(a3A″) = 3.27(2) eV and EA(A1A″) = 3.614(9) eV. The photodetachment of the anion to each of these two states produces the neutral species near the respective structural equilibria; hence, the a3A″ ← X2A″ and A1A″ ← X2A″ photodetachment transitions are dominated by intense peaks at their respective origins. The lowest-energy photodetachment transition, on the other hand, involves significant geometry relaxation in the X1A' state, which corresponds to a 60° internal rotation of the methyl group, compared to the anion structure. Accordingly, the X1A' ← X2A″ transition is characterized as a broad, congested band, whose vertical detachment energy, VDE = 1.20(4) eV, significantly exceeds the adiabatic EA. The experimental results are in excellent agreement with the ab initio predictions using several equation-of-motion methodologies, combined with coupled-cluster theory.

  4. New measurements of the lifetimes of excited states of Mn55 below 2.7 MeV

    Science.gov (United States)

    Caggiano, J. A.; Hasty, R. D.; Korbly, S. E.; Park, W. H.; Warren, G. A.

    2009-09-01

    The lifetimes of the excited states of Mn55 between 1.5 and 2.7 MeV were measured using nuclear resonance fluorescence. The absolute lifetimes of the excited levels were determined from simultaneous measurements of manganese and aluminum. In this approach, the precisely known aluminum state serves as a means to normalize the results. Our findings differ from the evaluated level lifetimes in the Evaluated Nuclear Structure Data File (ENSDF), but agree with earlier nuclear resonance fluorescence measurements.

  5. The state of nuclear forensics

    Energy Technology Data Exchange (ETDEWEB)

    Kristo, Michael J. [Chemical Sciences Division, Lawrence Livermore National Laboratory, P.O. Box 808, L-186, Livermore, CA 94551 (United States); Tumey, Scott J., E-mail: tumey2@llnl.gov [Center for Accelerator Mass Spectrometry, Lawrence Livermore National Laboratory, P.O. Box 808, L-397, Livermore, CA 94551 (United States)

    2013-01-15

    Nuclear terrorism has been identified as one of the most serious security threats facing the world today. Many countries, including the United States, have incorporated nuclear forensic analysis as a component of their strategy to prevent nuclear terrorism. Nuclear forensics involves the laboratory analysis of seized illicit nuclear materials or debris from a nuclear detonation to identify the origins of the material or weapon. Over the years, a number of forensic signatures have been developed to improve the confidence with which forensic analysts can draw conclusions. These signatures are validated and new signatures are discovered through research and development programs and in round-robin exercises among nuclear forensic laboratories. The recent Nuclear Smuggling International Technical Working Group Third Round Robin Exercise and an on-going program focused on attribution of uranium ore concentrate provide prime examples of the current state of nuclear forensics. These case studies will be examined and the opportunities for accelerator mass spectrometry to play a role in nuclear forensics will be discussed.

  6. Nuclear states with anomalously large radius (size isomers)

    Energy Technology Data Exchange (ETDEWEB)

    Ogloblin, A. A.; Demyanova, A. S., E-mail: a.s.demyanova@bk.ru; Danilov, A. N. [National Research Center Kurchatov Institute (Russian Federation); Belyaeva, T. L. [Ciudad Universitaria, Universidad Nacional Autónoma de Meéxico (Mexico); Goncharov, S. A. [Moscow State University, Faculty of Physics (Russian Federation); Trzaska, W. [University of Jyvaäskylaä (Finland)

    2016-07-15

    Methods of determination of the nuclear excited state radii are discussed together with the recently obtained data on the states of some light nuclei having abnormally large radii (size isomers). It is shown that such states include excited neutron-halo states in {sup 9}Be, {sup 11}Be, and {sup 13}C and some alpha-cluster states in {sup 12}C, {sup 11}B, and {sup 13}C. Among the latter ones, there is the well-known Hoyle state in {sup 12}C—the structure of this state exhibit rudimentary features of alpha-particle states.

  7. Search for excited $B_c^{+}$ states

    CERN Document Server

    Aaij, Roel; LHCb Collaboration; Adinolfi, Marco; Ajaltouni, Ziad; Akar, Simon; Albrecht, Johannes; Alessio, Federico; Alexander, Michael; Alfonso Albero, Alejandro; Ali, Suvayu; Alkhazov, Georgy; Alvarez Cartelle, Paula; Alves Jr, Antonio Augusto; Amato, Sandra; Amerio, Silvia; Amhis, Yasmine; An, Liupan; Anderlini, Lucio; Andreassi, Guido; Andreotti, Mirco; Andrews, Jason; Appleby, Robert; Archilli, Flavio; d'Argent, Philippe; Arnau Romeu, Joan; Artamonov, Alexander; Artuso, Marina; Aslanides, Elie; Atzeni, Michele; Auriemma, Giulio; Baalouch, Marouen; Babuschkin, Igor; Bachmann, Sebastian; Back, John; Badalov, Alexey; Baesso, Clarissa; Baker, Sophie; Balagura, Vladislav; Baldini, Wander; Baranov, Alexander; Barlow, Roger; Barschel, Colin; Barsuk, Sergey; Barter, William; Baryshnikov, Fedor; Batozskaya, Varvara; Battista, Vincenzo; Bay, Aurelio; Beaucourt, Leo; Beddow, John; Bedeschi, Franco; Bediaga, Ignacio; Beiter, Andrew; Bel, Lennaert; Beliy, Nikita; Bellee, Violaine; Belloli, Nicoletta; Belous, Konstantin; Belyaev, Ivan; Ben-Haim, Eli; Bencivenni, Giovanni; Benson, Sean; Beranek, Sarah; Berezhnoy, Alexander; Bernet, Roland; Berninghoff, Daniel; Bertholet, Emilie; Bertolin, Alessandro; Betancourt, Christopher; Betti, Federico; Bettler, Marc-Olivier; van Beuzekom, Martinus; Bezshyiko, Iaroslava; Bifani, Simone; Billoir, Pierre; Birnkraut, Alex; Bizzeti, Andrea; Bjørn, Mikkel; Blake, Thomas; Blanc, Frederic; Blusk, Steven; Bocci, Valerio; Boettcher, Thomas; Bondar, Alexander; Bondar, Nikolay; Bordyuzhin, Igor; Borghi, Silvia; Borisyak, Maxim; Borsato, Martino; Bossu, Francesco; Boubdir, Meriem; Bowcock, Themistocles; Bowen, Espen Eie; Bozzi, Concezio; Braun, Svende; Brodzicka, Jolanta; Brundu, Davide; Buchanan, Emma; Burr, Christopher; Bursche, Albert; Buytaert, Jan; Byczynski, Wiktor; Cadeddu, Sandro; Cai, Hao; Calabrese, Roberto; Calladine, Ryan; Calvi, Marta; Calvo Gomez, Miriam; Camboni, Alessandro; Campana, Pierluigi; Campora Perez, Daniel Hugo; Capriotti, Lorenzo; Carbone, Angelo; Carboni, Giovanni; Cardinale, Roberta; Cardini, Alessandro; Carniti, Paolo; Carson, Laurence; Carvalho Akiba, Kazuyoshi; Casse, Gianluigi; Cassina, Lorenzo; Cattaneo, Marco; Cavallero, Giovanni; Cenci, Riccardo; Chamont, David; Chapman, Matthew George; Charles, Matthew; Charpentier, Philippe; Chatzikonstantinidis, Georgios; Chefdeville, Maximilien; Chen, Shanzhen; Cheung, Shu Faye; Chitic, Stefan-Gabriel; Chobanova, Veronika; Chrzaszcz, Marcin; Chubykin, Alexsei; Ciambrone, Paolo; Cid Vidal, Xabier; Ciezarek, Gregory; Clarke, Peter; Clemencic, Marco; Cliff, Harry; Closier, Joel; Coco, Victor; Cogan, Julien; Cogneras, Eric; Cogoni, Violetta; Cojocariu, Lucian; Collins, Paula; Colombo, Tommaso; Comerma-Montells, Albert; Contu, Andrea; Coombs, George; Coquereau, Samuel; Corti, Gloria; Corvo, Marco; Costa Sobral, Cayo Mar; Couturier, Benjamin; Cowan, Greig; Craik, Daniel Charles; Crocombe, Andrew; Cruz Torres, Melissa Maria; Currie, Robert; D'Ambrosio, Carmelo; Da Cunha Marinho, Franciole; Da Silva, Cesar Luiz; Dall'Occo, Elena; Dalseno, Jeremy; Davis, Adam; De Aguiar Francisco, Oscar; De Bruyn, Kristof; De Capua, Stefano; De Cian, Michel; De Miranda, Jussara; De Paula, Leandro; De Serio, Marilisa; De Simone, Patrizia; Dean, Cameron Thomas; Decamp, Daniel; Del Buono, Luigi; Dembinski, Hans Peter; Demmer, Moritz; Dendek, Adam; Derkach, Denis; Deschamps, Olivier; Dettori, Francesco; Dey, Biplab; Di Canto, Angelo; Di Nezza, Pasquale; Dijkstra, Hans; Dordei, Francesca; Dorigo, Mirco; Dosil Suárez, Alvaro; Douglas, Lauren; Dovbnya, Anatoliy; Dreimanis, Karlis; Dufour, Laurent; Dujany, Giulio; Durante, Paolo; Durham, John Matthew; Dutta, Deepanwita; Dzhelyadin, Rustem; Dziewiecki, Michal; Dziurda, Agnieszka; Dzyuba, Alexey; Easo, Sajan; Ebert, Marcus; Egede, Ulrik; Egorychev, Victor; Eidelman, Semen; Eisenhardt, Stephan; Eitschberger, Ulrich; Ekelhof, Robert; Eklund, Lars; Ely, Scott; Esen, Sevda; Evans, Hannah Mary; Evans, Timothy; Falabella, Antonio; Farley, Nathanael; Farry, Stephen; Fazzini, Davide; Federici, Luca; Ferguson, Dianne; Fernandez, Gerard; Fernandez Declara, Placido; Fernandez Prieto, Antonio; Ferrari, Fabio; Ferreira Lopes, Lino; Ferreira Rodrigues, Fernando; Ferro-Luzzi, Massimiliano; Filippov, Sergey; Fini, Rosa Anna; Fiorini, Massimiliano; Firlej, Miroslaw; Fitzpatrick, Conor; Fiutowski, Tomasz; Fleuret, Frederic; Fontana, Marianna; Fontanelli, Flavio; Forty, Roger; Franco Lima, Vinicius; Frank, Markus; Frei, Christoph; Fu, Jinlin; Funk, Wolfgang; Furfaro, Emiliano; Färber, Christian; Gabriel, Emmy; Gallas Torreira, Abraham; Galli, Domenico; Gallorini, Stefano; Gambetta, Silvia; Gandelman, Miriam; Gandini, Paolo; Gao, Yuanning; Garcia Martin, Luis Miguel; García Pardiñas, Julián; Garra Tico, Jordi; Garrido, Lluis; Garsed, Philip John; Gascon, David; Gaspar, Clara; Gavardi, Laura; Gazzoni, Giulio; Gerick, David; Gersabeck, Evelina; Gersabeck, Marco; Gershon, Timothy; Ghez, Philippe; Gianì, Sebastiana; Gibson, Valerie; Girard, Olivier Göran; Giubega, Lavinia-Helena; Gizdov, Konstantin; Gligorov, Vladimir; Golubkov, Dmitry; Golutvin, Andrey; Gomes, Alvaro; Gorelov, Igor Vladimirovich; Gotti, Claudio; Govorkova, Ekaterina; Grabowski, Jascha Peter; Graciani Diaz, Ricardo; Granado Cardoso, Luis Alberto; Graugés, Eugeni; Graverini, Elena; Graziani, Giacomo; Grecu, Alexandru; Greim, Roman; Griffith, Peter; Grillo, Lucia; Gruber, Lukas; Gruberg Cazon, Barak Raimond; Grünberg, Oliver; Gushchin, Evgeny; Guz, Yury; Gys, Thierry; Göbel, Carla; Hadavizadeh, Thomas; Hadjivasiliou, Christos; Haefeli, Guido; Haen, Christophe; Haines, Susan; Hamilton, Brian; Han, Xiaoxue; Hancock, Thomas Henry; Hansmann-Menzemer, Stephanie; Harnew, Neville; Harnew, Samuel; Hasse, Christoph; Hatch, Mark; He, Jibo; Hecker, Malte; Heinicke, Kevin; Heister, Arno; Hennessy, Karol; Henrard, Pierre; Henry, Louis; van Herwijnen, Eric; Heß, Miriam; Hicheur, Adlène; Hill, Donal; Hopchev, Plamen Hristov; Hu, Wenhua; Huang, Wenqian; Huard, Zachary; Hulsbergen, Wouter; Humair, Thibaud; Hushchyn, Mikhail; Hutchcroft, David; Ibis, Philipp; Idzik, Marek; Ilten, Philip; Jacobsson, Richard; Jalocha, Pawel; Jans, Eddy; Jawahery, Abolhassan; Jiang, Feng; John, Malcolm; Johnson, Daniel; Jones, Christopher; Joram, Christian; Jost, Beat; Jurik, Nathan; Kandybei, Sergii; Karacson, Matthias; Kariuki, James Mwangi; Karodia, Sarah; Kazeev, Nikita; Kecke, Matthieu; Keizer, Floris; Kelsey, Matthew; Kenzie, Matthew; Ketel, Tjeerd; Khairullin, Egor; Khanji, Basem; Khurewathanakul, Chitsanu; Kirn, Thomas; Klaver, Suzanne; Klimaszewski, Konrad; Klimkovich, Tatsiana; Koliiev, Serhii; Kolpin, Michael; Kopecna, Renata; Koppenburg, Patrick; Kosmyntseva, Alena; Kotriakhova, Sofia; Kozeiha, Mohamad; Kravchuk, Leonid; Kreps, Michal; Kress, Felix Johannes; Krokovny, Pavel; Krzemien, Wojciech; Kucewicz, Wojciech; Kucharczyk, Marcin; Kudryavtsev, Vasily; Kuonen, Axel Kevin; Kvaratskheliya, Tengiz; Lacarrere, Daniel; Lafferty, George; Lai, Adriano; Lanfranchi, Gaia; Langenbruch, Christoph; Latham, Thomas; Lazzeroni, Cristina; Le Gac, Renaud; Leflat, Alexander; Lefrançois, Jacques; Lefèvre, Regis; Lemaitre, Florian; Lemos Cid, Edgar; Leroy, Olivier; Lesiak, Tadeusz; Leverington, Blake; Li, Pei-Rong; Li, Tenglin; Li, Yiming; Li, Zhuoming; Liang, Xixin; Likhomanenko, Tatiana; Lindner, Rolf; Lionetto, Federica; Lisovskyi, Vitalii; Liu, Xuesong; Loh, David; Loi, Angelo; Longstaff, Iain; Lopes, Jose; Lucchesi, Donatella; Lucio Martinez, Miriam; Luo, Haofei; Lupato, Anna; Luppi, Eleonora; Lupton, Oliver; Lusiani, Alberto; Lyu, Xiao-Rui; Machefert, Frederic; Maciuc, Florin; Macko, Vladimir; Mackowiak, Patrick; Maddrell-Mander, Samuel; Maev, Oleg; Maguire, Kevin; Maisuzenko, Dmitrii; Majewski, Maciej Witold; Malde, Sneha; Malecki, Bartosz; Malinin, Alexander; Maltsev, Timofei; Manca, Giulia; Mancinelli, Giampiero; Marangotto, Daniele; Maratas, Jan; Marchand, Jean François; Marconi, Umberto; Marin Benito, Carla; Marinangeli, Matthieu; Marino, Pietro; Marks, Jörg; Martellotti, Giuseppe; Martin, Morgan; Martinelli, Maurizio; Martinez Santos, Diego; Martinez Vidal, Fernando; Massafferri, André; Matev, Rosen; Mathad, Abhijit; Mathe, Zoltan; Matteuzzi, Clara; Mauri, Andrea; Maurice, Emilie; Maurin, Brice; Mazurov, Alexander; McCann, Michael; McNab, Andrew; McNulty, Ronan; Mead, James Vincent; Meadows, Brian; Meaux, Cedric; Meier, Frank; Meinert, Nis; Melnychuk, Dmytro; Merk, Marcel; Merli, Andrea; Michielin, Emanuele; Milanes, Diego Alejandro; Millard, Edward James; Minard, Marie-Noelle; Minzoni, Luca; Mitzel, Dominik Stefan; Mogini, Andrea; Molina Rodriguez, Josue; Mombächer, Titus; Monroy, Igancio Alberto; Monteil, Stephane; Morandin, Mauro; Morello, Michael Joseph; Morgunova, Olga; Moron, Jakub; Morris, Adam Benjamin; Mountain, Raymond; Muheim, Franz; Mulder, Mick; Müller, Dominik; Müller, Janine; Müller, Katharina; Müller, Vanessa; Naik, Paras; Nakada, Tatsuya; Nandakumar, Raja; Nandi, Anita; Nasteva, Irina; Needham, Matthew; Neri, Nicola; Neubert, Sebastian; Neufeld, Niko; Neuner, Max; Nguyen, Thi Dung; Nguyen-Mau, Chung; Nieswand, Simon; Niet, Ramon; Nikitin, Nikolay; Nikodem, Thomas; Nogay, Alla; O'Hanlon, Daniel Patrick; Oblakowska-Mucha, Agnieszka; Obraztsov, Vladimir; Ogilvy, Stephen; Oldeman, Rudolf; Onderwater, Gerco; Ossowska, Anna; Otalora Goicochea, Juan Martin; Owen, Patrick; Oyanguren, Maria Aranzazu; Pais, Preema Rennee; Palano, Antimo; Palutan, Matteo; Papanestis, Antonios; Pappagallo, Marco; Pappalardo, Luciano; Parker, William; Parkes, Christopher; Passaleva, Giovanni; Pastore, Alessandra; Patel, Mitesh; Patrignani, Claudia; Pearce, Alex; Pellegrino, Antonio; Penso, Gianni; Pepe Altarelli, Monica; Perazzini, Stefano; Pereima, Dmitrii; Perret, Pascal; Pescatore, Luca; Petridis, Konstantinos; Petrolini, Alessandro; Petrov, Aleksandr; Petruzzo, Marco; Picatoste Olloqui, Eduardo; Pietrzyk, Boleslaw; Pietrzyk, Guillaume; Pikies, Malgorzata; Pinci, Davide; Pisani, Flavio; Pistone, Alessandro; Piucci, Alessio; Placinta, Vlad-Mihai; Playfer, Stephen; Plo Casasus, Maximo; Polci, Francesco; Poli Lener, Marco; Poluektov, Anton; Polyakov, Ivan; Polycarpo, Erica; Pomery, Gabriela Johanna; Ponce, Sebastien; Popov, Alexander; Popov, Dmitry; Poslavskii, Stanislav; Potterat, Cédric; Price, Eugenia; Prisciandaro, Jessica; Prouve, Claire; Pugatch, Valery; Puig Navarro, Albert; Pullen, Hannah Louise; Punzi, Giovanni; Qian, Wenbin; Qin, Jia-Jia; Quagliani, Renato; Quintana, Boris; Rachwal, Bartlomiej; Rademacker, Jonas; Rama, Matteo; Ramos Pernas, Miguel; Rangel, Murilo; Raniuk, Iurii; Ratnikov, Fedor; Raven, Gerhard; Ravonel Salzgeber, Melody; Reboud, Meril; Redi, Federico; Reichert, Stefanie; dos Reis, Alberto; Remon Alepuz, Clara; Renaudin, Victor; Ricciardi, Stefania; Richards, Sophie; Rihl, Mariana; Rinnert, Kurt; Robbe, Patrick; Robert, Arnaud; Rodrigues, Ana Barbara; Rodrigues, Eduardo; Rodriguez Lopez, Jairo Alexis; Rogozhnikov, Alexey; Roiser, Stefan; Rollings, Alexandra Paige; Romanovskiy, Vladimir; Romero Vidal, Antonio; Rotondo, Marcello; Rudolph, Matthew Scott; Ruf, Thomas; Ruiz Valls, Pablo; Ruiz Vidal, Joan; Saborido Silva, Juan Jose; Sadykhov, Elnur; Sagidova, Naylya; Saitta, Biagio; Salustino Guimaraes, Valdir; Sanchez Mayordomo, Carlos; Sanmartin Sedes, Brais; Santacesaria, Roberta; Santamarina Rios, Cibran; Santimaria, Marco; Santovetti, Emanuele; Sarpis, Gediminas; Sarti, Alessio; Satriano, Celestina; Satta, Alessia; Saunders, Daniel Martin; Savrina, Darya; Schael, Stefan; Schellenberg, Margarete; Schiller, Manuel; Schindler, Heinrich; Schmelling, Michael; Schmelzer, Timon; Schmidt, Burkhard; Schneider, Olivier; Schopper, Andreas; Schreiner, HF; Schubiger, Maxime; Schune, Marie Helene; Schwemmer, Rainer; Sciascia, Barbara; Sciubba, Adalberto; Semennikov, Alexander; Sepulveda, Eduardo Enrique; Sergi, Antonino; Serra, Nicola; Serrano, Justine; Sestini, Lorenzo; Seyfert, Paul; Shapkin, Mikhail; Shapoval, Illya; Shcheglov, Yury; Shears, Tara; Shekhtman, Lev; Shevchenko, Vladimir; Siddi, Benedetto Gianluca; Silva Coutinho, Rafael; Silva de Oliveira, Luiz Gustavo; Simi, Gabriele; Simone, Saverio; Sirendi, Marek; Skidmore, Nicola; Skwarnicki, Tomasz; Smith, Iwan Thomas; Smith, Jackson; Smith, Mark; Soares Lavra, Lais; Sokoloff, Michael; Soler, Paul; Souza De Paula, Bruno; Spaan, Bernhard; Spradlin, Patrick; Sridharan, Srikanth; Stagni, Federico; Stahl, Marian; Stahl, Sascha; Stefko, Pavol; Stefkova, Slavomira; Steinkamp, Olaf; Stemmle, Simon; Stenyakin, Oleg; Stepanova, Margarita; Stevens, Holger; Stone, Sheldon; Storaci, Barbara; Stracka, Simone; Stramaglia, Maria Elena; Straticiuc, Mihai; Straumann, Ulrich; Sun, Jiayin; Sun, Liang; Swientek, Krzysztof; Syropoulos, Vasileios; Szumlak, Tomasz; Szymanski, Maciej Pawel; T'Jampens, Stephane; Tayduganov, Andrey; Tekampe, Tobias; Tellarini, Giulia; Teubert, Frederic; Thomas, Eric; van Tilburg, Jeroen; Tilley, Matthew James; Tisserand, Vincent; Tobin, Mark; Tolk, Siim; Tomassetti, Luca; Tonelli, Diego; Tourinho Jadallah Aoude, Rafael; Tournefier, Edwige; Traill, Murdo; Tran, Minh Tâm; Tresch, Marco; Trisovic, Ana; Tsaregorodtsev, Andrei; Tsopelas, Panagiotis; Tully, Alison; Tuning, Niels; Ukleja, Artur; Usachov, Andrii; Ustyuzhanin, Andrey; Uwer, Ulrich; Vacca, Claudia; Vagner, Alexander; Vagnoni, Vincenzo; Valassi, Andrea; Valat, Sebastien; Valenti, Giovanni; Vazquez Gomez, Ricardo; Vazquez Regueiro, Pablo; Vecchi, Stefania; van Veghel, Maarten; Velthuis, Jaap; Veltri, Michele; Veneziano, Giovanni; Venkateswaran, Aravindhan; Verlage, Tobias Anton; Vernet, Maxime; Vesterinen, Mika; Viana Barbosa, Joao Vitor; Vieira, Daniel; Vieites Diaz, Maria; Viemann, Harald; Vilasis-Cardona, Xavier; Vitti, Marcela; Volkov, Vladimir; Vollhardt, Achim; Voneki, Balazs; Vorobyev, Alexey; Vorobyev, Vitaly; Voß, Christian; de Vries, Jacco; Vázquez Sierra, Carlos; Waldi, Roland; Walsh, John; Wang, Jianchun; Wang, Yilong; Ward, David; Wark, Heather Mckenzie; Watson, Nigel; Websdale, David; Weiden, Andreas; Weisser, Constantin; Whitehead, Mark; Wicht, Jean; Wilkinson, Guy; Wilkinson, Michael; Williams, Mark Richard James; Williams, Mike; Williams, Timothy; Wilson, Fergus; Wimberley, Jack; Winn, Michael Andreas; Wishahi, Julian; Wislicki, Wojciech; Witek, Mariusz; Wormser, Guy; Wotton, Stephen; Wyllie, Kenneth; Xie, Yuehong; Xu, Menglin; Xu, Qingnian; Xu, Zehua; Xu, Zhirui; Yang, Zhenwei; Yang, Zishuo; Yao, Yuezhe; Yin, Hang; Yu, Jiesheng; Yuan, Xuhao; Yushchenko, Oleg; Zarebski, Kristian Alexander; Zavertyaev, Mikhail; Zhang, Liming; Zhang, Yanxi; Zhelezov, Alexey; Zheng, Yangheng; Zhu, Xianglei; Zhukov, Valery; Zonneveld, Jennifer Brigitta; Zucchelli, Stefano

    2017-01-01

    A search is performed in the invariant mass spectrum of the $B_c^{+}\\pi^{+}\\pi^{-}$ system for the excited $B_c^{+}$ states $B_c(2^{1}S_{0})^+$ and $B_c(2^{3}S_{1})^+$ using a data sample of $pp$ collisions collected by the LHCb experiment at the centre-of-mass energy of $\\sqrt{s} = 8 \\,{\\mathrm{TeV}}$, corresponding to an integrated luminosity of $2 \\,{\\mathrm{fb^{-1}}}$. No evidence is seen for either state. Upper limits on the ratios of the production cross-sections of the $B_c(2^{1}S_{0})^+$ and $B_c(2^{3}S_{1})^+$ states times the branching fractions of ${B_c(2^{1}S_{0})^+} \\to {B_c^{+}\\pi^{+}\\pi^{-}}$ and ${B_c(2^{3}S_{1})^+} \\to {B_c^{*+}\\pi^{+}\\pi^{-}}$ over the production cross-section of the $B_c^{+}$ state are given as a function of their masses. They are found to be between 0.02 and 0.14 at $95\\%$ confidence level for $B_c(2^{1}S_{0})^+$ and $B_c(2^{3}S_{1})^+$ in the mass ranges $[6830, 6890] \\,{\\mathrm{MeV}}/c^{2}$ and $[6795,6890] \\,{\\mathrm{MeV}}/c^{2}$, respectively.

  8. Quantum marginals from pure doubly excited states

    Science.gov (United States)

    Maciążek, Tomasz; Tsanov, Valdemar

    2017-11-01

    The possible spectra of one-particle reduced density matrices that are compatible with a pure multipartite quantum system of finite dimension form a convex polytope. We introduce a new construction of inner- and outer-bounding polytopes that constrain the polytope for the entire quantum system. The outer bound is sharp. The inner polytope stems only from doubly excited states. We find all quantum systems, where the bounds coincide giving the entire polytope. We show, that those systems are: (i) any system of two particles (ii) L qubits, (iii) three fermions on N≤slant 7 levels, (iv) any number of bosons on any number of levels and (v) fermionic Fock space on N≤slant 5 levels. The methods we use come from symplectic geometry and representation theory of compact Lie groups. In particular, we study the images of proper momentum maps, where our method describes momentum images for all representations that are spherical.

  9. Excited states in {sup 155}Yb and

    Energy Technology Data Exchange (ETDEWEB)

    Ding, K. Y.; Cizewski, J. A.; Seweryniak, D.; Amro, H.; Carpenter, M. P.; Davids, C. N.; Fotiades, N.; Janssens, R. V. F.; Lauritsen, T.; Lister, C. J. (and others)

    2001-09-01

    The 270-MeV {sup 58}Ni+{sup 102}Pd reaction was used for the first recoil-decay tagging measurement with Gammasphere coupled to the Fragment Mass Analyzer at Argonne National Laboratory. Level structures of {sup 155}Yb, {sup 156}Lu, and {sup 157}Lu, as well as the excited states associated with the 25/2{sup -} isomer in {sup 155}Lu, are identified for the first time. The systematical behavior of the energy levels is compared with that of neighboring isotones and isotopes. The attractive interaction between h{sub 11/2} protons and h{sub 9/2} neutrons plays an important role in the structure of {sup 155}Yb and {sup 155,156}Lu.

  10. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy

    DEFF Research Database (Denmark)

    Shelby, Megan L.; Lestrange, Patrick J.; Jackson, Nicholas E.

    2016-01-01

    and nuclear structure for critical excited electronic states in the relaxation pathway characterize the dependence of the complex's geometry on the electron occupation of the 3d orbitals. Calculated XANES transitions for these excited states assign a short-lived transient signal to the spectroscopic signature...... of the Ni(I) species, resulting from intramolecular charge transfer on a time scale that has eluded previous synchrotron studies. These combined results enable us to examine the excited state structural dynamics of NiTMP prior to thermal relaxation and to capture intermediates of potential photocatalytic...

  11. Excited State Properties of Hybrid Perovskites.

    Science.gov (United States)

    Saba, Michele; Quochi, Francesco; Mura, Andrea; Bongiovanni, Giovanni

    2016-01-19

    Metal halide perovskites have come to the attention of the scientific community for the progress achieved in solar light conversion. Energy sustainability is one of the priorities of our society, and materials advancements resulting in low-cost but efficient solar cells and large-area lighting devices represent a major goal for applied research. From a basic point of view, perovskites are an exotic class of hybrid materials combining some merits of organic and inorganic semiconductors: large optical absorption, large mobilities, and tunable band gap together with the possibility to be processed in solution. When a novel class of promising semiconductors comes into the limelight, lively discussions ensue on the photophysics of band-edge excitations, because just the states close to the band edge are entailed in energy/charge transport and light emission. This was the case several decades ago for III-V semiconductors, it has been up to 10 years ago for organics, and it is currently the case for perovskites. Our aim in this Account is to rationalize the body of experimental evidence on perovskite photophysics in a coherent theoretical framework, borrowing from the knowledge acquired over the years in materials optoelectronics. A crucial question is whether photon absorption leads to a population of unbound, conductive free charges or instead excitons, neutral and insulating bound states created by Coulomb interaction just below the energy of the band gap. We first focus on the experimental estimates of the exciton binding energy (Eb): at room temperature, Eb is comparable to the thermal energy kBT in MAPbI3 and increases up to values 2-3kBT in wide band gap MAPbBr3 and MAPbCl3. Statistical considerations predict that these values, even though comparable to or larger than thermal energy, let free carriers prevail over bound excitons for all levels of excitation densities relevant for devices. The analysis of photophysics evidence confirms that all hybrid halide

  12. Excited State Spectra and Dynamics of Phenyl-Substituted Butadienes

    DEFF Research Database (Denmark)

    Wallace-Williams, Stacie E.; Schwartz, Benjamin J.; Møller, Søren

    1994-01-01

    A combination of steady-state and dynamic spectral measurements are used to provide new insights into the nature of the excited-state processes of all-trans-1,4-diphenyl-1,3-butadiene and several analogs: 1,4-diphenyl- 1,3-cyclopentadiene, 1,1,4,4-tetraphenylbutadiene, 1,2,3,4-tetraphenyl-1,3-cyc...... indicate that phenyl torsional motion is not important to the excited-state dynamics and reveal alternative excited-state reaction pathways. The results demonstrate how molecular systems that are structually similar can exhibit different electronic properties and excited-state dynamics....

  13. Quantum hydrodynamic description of collective nuclear states

    Energy Technology Data Exchange (ETDEWEB)

    Sapershtein, E.E.; Fayans, S.A.; Khodel' , V.A.

    1978-03-01

    The nature of low-lying collective nuclear states is analyzed in the framework of the Fermi-liquid approach. It is shown that in a drop of Fermi liquid one has not only the ordinary zero-sound branch but also a new collective mode resulting from the spontaneous breaking of the translational invariance. These are quantum capillary waves that have much in common with ordinary surface excitations of a classical drop. Numerical calculations show that the first collective levels of nuclei belong to this branch.

  14. Vibronic coupling in the excited-states of carotenoids

    Energy Technology Data Exchange (ETDEWEB)

    Miki, Takeshi [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg, Germany; Buckup, Tiago [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg, Germany; Krause, Marie S. [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg, Germany; Southall, June [College of Medical; Veterinary, and Life Science; University of Glasgow; G12 8QQ Glasgow, UK; Cogdell, Richard J. [College of Medical; Veterinary, and Life Science; University of Glasgow; G12 8QQ Glasgow, UK; Motzkus, Marcus [Physikalisch-Chemisches Institut; Ruprecht-Karls-Universität Heidelberg; D-69120 Heidelberg, Germany

    2016-01-01

    The ultrafast femtochemistry of carotenoids is governed by the interaction between electronic excited states, which has been explained by the relaxation dynamics within a few hundred femtoseconds from the lowest optically allowed excited state S2to the optically dark state S1.

  15. Excited-State Effective Masses in Lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    George Fleming, Saul Cohen, Huey-Wen Lin

    2009-10-01

    We apply black-box methods, i.e. where the performance of the method does not depend upon initial guesses, to extract excited-state energies from Euclidean-time hadron correlation functions. In particular, we extend the widely used effective-mass method to incorporate multiple correlation functions and produce effective mass estimates for multiple excited states. In general, these excited-state effective masses will be determined by finding the roots of some polynomial. We demonstrate the method using sample lattice data to determine excited-state energies of the nucleon and compare the results to other energy-level finding techniques.

  16. Nuclear Excitation by Electronic Transition of U-235

    Energy Technology Data Exchange (ETDEWEB)

    Chodash, Perry Adam [Univ. of California, Berkeley, CA (United States)

    2015-07-14

    Nuclear excitation by electronic transition (NEET) is a rare nuclear excitation that is theorized to occur in numerous isotopes. One isotope in particular, 235U, has been studied several times over the past 40 years and NEET of 235U has never been conclusively observed. These past experiments generated con icting results with some experiments claiming to observe NEET of 235U and others setting limits for the NEET rate. This dissertation discusses the latest attempt to measure NEET of 235U. If NEET of 235U were to occur, 235mU would be created. 235mU decays by internal conversion with a decay energy of 76 eV and a half-life of 26 minutes. A pulsed Nd:YAG laser operating at 1064 nm with a pulse energy of 789 mJ and a pulse width of 9 ns was used to generate a uranium plasma. The plasma was captured on a catcher plate and electrons emitted from the catcher plate were accelerated and focused onto a microchannel plate detector. A decay of 26 minutes would suggest the creation of 235mU and the possibility that NEET occurred. However, measurements performed using a variety of uranium targets spanning depleted uranium up to 99.4% enriched uranium did not observe a 26 minute decay. Numerous other decays were observed with half-lives ranging from minutes up to hundreds of minutes. While NEET of 235U was not observed during this experiment, an upper limit for the NEET rate of 235U was determined. In addition, explanations for the con icting results from previous experiments are given. Based on the results of this experiment and the previous experiments looking for NEET of 235U, it is likely that NEET of 235U has never been observed.

  17. Elevated nuclear Foxo1 suppresses excitability of skeletal muscle fibers

    Science.gov (United States)

    Hernández-Ochoa, Erick O.; Schachter, Tova Neustadt

    2013-01-01

    Forkhead box O 1 (Foxo1) controls the expression of proteins that carry out processes leading to skeletal muscle atrophy, making Foxo1 of therapeutic interest in conditions of muscle wasting. The transcription of Foxo1-regulated proteins is dependent on the translocation of Foxo1 to the nucleus, which can be repressed by insulin-like growth factor-1 (IGF-1) treatment. The role of Foxo1 in muscle atrophy has been explored at length, but whether Foxo1 nuclear activity affects skeletal muscle excitation-contraction (EC) coupling has not yet been examined. Here, we use cultured adult mouse skeletal muscle fibers to investigate the effects of Foxo1 overexpression on EC coupling. Fibers expressing Foxo1-green fluorescent protein (GFP) exhibit an inability to contract, impaired propagation of action potentials, and ablation of calcium transients in response to electrical stimulation compared with fibers expressing GFP alone. Evaluation of the transverse (T)-tubule system morphology, the membranous system involved in the radial propagation of the action potential, revealed an intact T-tubule network in fibers overexpressing Foxo1-GFP. Interestingly, long-term IGF-1 treatment of Foxo1-GFP fibers, which maintains Foxo1-GFP outside the nucleus, prevented the loss of normal calcium transients, indicating that Foxo1 translocation and the atrogenes it regulates affect the expression of proteins involved in the generation and/or propagation of action potentials. A reduction in the sodium channel Nav1.4 expression in fibers overexpressing Foxo1-GFP was also observed in the absence of IGF-1. We conclude that increased nuclear activity of Foxo1 prevents the normal muscle responses to electrical stimulation and that this indicates a novel capability of Foxo1 to disable the functional activity of skeletal muscle. PMID:23804205

  18. Preparations for an optical access to the lowest nuclear excitation in {sup 229}Th

    Energy Technology Data Exchange (ETDEWEB)

    Wense, Lars v.d.; Seiferle, Benedict; Thirolf, Peter G. [Ludwig-Maximilians-Universitaet Muenchen (Germany); Laatiaoui, Mustapha [GSI Helmholtzzentrum fuer Schwerionenforschung, Darmstadt (Germany)

    2015-07-01

    The isomeric lowest excited nuclear level of {sup 229}Th has been indirectly measured to be 7.6±0.5 eV (163±11 nm). This low transition energy, compared to energies typically involved in nuclear processes, would allow for the application of laser-spectroscopic methods. Also considering the isomeric lifetime of the excited state (estimated to be 10{sup 3} to 10{sup 4} s), which leads to an extremely sharp linewidth of Δω/ω ∝ 10{sup -20}, the isomer becomes a strong candidate for a nuclear-based frequency standard. In order to directly detect the isomeric ground-state decay and improve the accuracy of its energy as a prerequisite for an all-optical control, {sup 229m}Th is populated via a 2% decay branch in the α decay of {sup 233}U. The Thorium ions are extracted and cooled with the help of a buffer-gas stopping cell and an RFQ-cooler. In order to suppress accompanying α decay chain products other than {sup 229}Th, a quadrupole mass spectrometer (QMS) is used. Following the QMS, the Thorium isomeric decay is expected to be detectable. Internal conversion as well as photonic decay is probed via different detection techniques. Latest results are presented.

  19. Vibrationally excited state stectroscopy of radicals in a supersonic plasma

    NARCIS (Netherlands)

    G. Bazalgette Courreges-Lacoste, J. Bulthuis, S. Stolte, T. Motylewski; Linnartz, H.V.J.

    2001-01-01

    A plasma source based on a multilayer discharge geometry in combination with a time-of-flight REMPI experiment is used to study rotationally cold spectra of highly excited vibrational states of mass selected radicals. The rovibrational state distributions upon discharge excitation are characterised

  20. Charge-displacement analysis for excited states

    Energy Technology Data Exchange (ETDEWEB)

    Ronca, Enrico, E-mail: enrico@thch.unipg.it; Tarantelli, Francesco, E-mail: francesco.tarantelli@unipg.it [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, via Elce di Sotto 8, I-06123 Perugia (Italy); Pastore, Mariachiara, E-mail: chiara@thch.unipg.it; Belpassi, Leonardo; De Angelis, Filippo [Istituto CNR di Scienze e Tecnologie Molecolari, via Elce di Sotto 8, I-06123 Perugia (Italy); Angeli, Celestino; Cimiraglia, Renzo [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Ferrara, via Borsari 46, I-44100 Ferrara (Italy)

    2014-02-07

    We extend the Charge-Displacement (CD) analysis, already successfully employed to describe the nature of intermolecular interactions [L. Belpassi et al., J. Am. Chem. Soc. 132, 13046 (2010)] and various types of controversial chemical bonds [L. Belpassi et al., J. Am. Chem. Soc. 130, 1048 (2008); N. Salvi et al., Chem. Eur. J. 16, 7231 (2010)], to study the charge fluxes accompanying electron excitations, and in particular the all-important charge-transfer (CT) phenomena. We demonstrate the usefulness of the new approach through applications to exemplary excitations in a series of molecules, encompassing various typical situations from valence, to Rydberg, to CT excitations. The CD functions defined along various spatial directions provide a detailed and insightful quantitative picture of the electron displacements taking place.

  1. Femtosecond coherent nuclear dynamics of excited tetraphenylethylene: Ultrafast transient absorption and ultrafast Raman loss spectroscopic studies.

    Science.gov (United States)

    Kayal, Surajit; Roy, Khokan; Umapathy, Siva

    2018-01-14

    Ultrafast torsional dynamics plays an important role in the photoinduced excited state dynamics. Tetraphenylethylene (TPE), a model system for the molecular motor, executes interesting torsional dynamics upon photoexcitation. The photoreaction of TPE involves ultrafast internal conversion via a nearly planar intermediate state (relaxed state) that further leads to a twisted zwitterionic state. Here, we report the photoinduced structural dynamics of excited TPE during the course of photoisomerization in the condensed phase by ultrafast Raman loss (URLS) and femtosecond transient absorption (TA) spectroscopy. TA measurements on the S1 state reveal step-wise population relaxation from the Franck-Condon (FC) state → relaxed state → twisted state, while the URLS study provides insights on the vibrational dynamics during the course of the reaction. The TA spectral dynamics and vibrational Raman amplitudes within 1 ps reveal vibrational wave packet propagating from the FC state to the relaxed state. Fourier transformation of this oscillation leads to a ∼130 cm-1 low-frequency phenyl torsional mode. Two vibrational marker bands, Cet=Cet stretching (∼1512 cm-1) and Cph=Cph stretching (∼1584 cm-1) modes, appear immediately after photoexcitation in the URLS spectra. The initial red-shift of the Cph=Cph stretching mode with a time constant of ∼400 fs (in butyronitrile) is assigned to the rate of planarization of excited TPE. In addition, the Cet=Cet stretching mode shows initial blue-shift within 1 ps followed by frequency red-shift, suggesting that on the sub-picosecond time scale, structural relaxation is dominated by phenyl torsion rather than the central Cet=Cet twist. Furthermore, the effect of the solvent on the structural dynamics is discussed in the context of ultrafast nuclear dynamics and solute-solvent coupling.

  2. Coherent storage of microwave excitations in rare-earth nuclear spins.

    Science.gov (United States)

    Wolfowicz, Gary; Maier-Flaig, Hannes; Marino, Robert; Ferrier, Alban; Vezin, Hervé; Morton, John J L; Goldner, Philippe

    2015-05-01

    Interfacing between various elements of a computer--from memory to processors to long range communication--will be as critical for quantum computers as it is for classical computers today. Paramagnetic rare-earth doped crystals, such as Nd(3+):Y2SiO5(YSO), are excellent candidates for such a quantum interface: they are known to exhibit long optical coherence lifetimes (for communication via optical photons), possess a nuclear spin (memory), and have in addition an electron spin that can offer hybrid coupling with superconducting qubits (processing). Here we study two of these three elements, demonstrating coherent storage and retrieval between electron and (145)Nd nuclear spin states in Nd(3+):YSO. We find nuclear spin coherence times can reach 9 ms at ∼5  K, about 2 orders of magnitude longer than the electron spin coherence, while quantum state and process tomography of the storage or retrieval operation between the electron and nuclear spin reveal an average state fidelity of 0.86. The times and fidelities are expected to further improve at lower temperatures and with more homogeneous radio-frequency excitation.

  3. Excited-State Deactivation of Branched Phthalocyanine Compounds.

    Science.gov (United States)

    Zhu, Huaning; Li, Yang; Chen, Jun; Zhou, Meng; Niu, Yingli; Zhang, Xinxing; Guo, Qianjin; Wang, Shuangqing; Yang, Guoqiang; Xia, Andong

    2015-12-21

    The excited-state relaxation dynamics and chromophore interactions in two phthalocyanine compounds (bis- and trisphthalocyanines) are studied by using steady-state and femtosecond transient absorption spectral measurements, where the excited-state energy-transfer mechanism is explored. By exciting phthalocyanine compounds to their second electronically excited states and probing the subsequent relaxation dynamics, a multitude of deactivation pathways are identified. The transient absorption spectra show the relaxation pathway from the exciton state to excimer state and then back to the ground state in bisphthalocyanine (bis-Pc). In trisphthalocyanine (tris-Pc), the monomeric and dimeric subunits are excited and the excitation energy transfers from the monomeric vibrationally hot S1 state to the exciton state of a pre-associated dimer, with subsequent relaxation to the ground state through the excimer state. The theoretical calculations and steady-state spectra also show a face-to-face conformation in bis-Pc, whereas in tris-Pc, two of the three phthalocyanine branches form a pre-associated face-to-face dimeric conformation with the third one acting as a monomeric unit; this is consistent with the results of the transient absorption experiments from the perspective of molecular structure. The detailed structure-property relationships in phthalocyanine compounds is useful for exploring the function of molecular aggregates in energy migration of natural photosynthesis systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Direct conversion of graphite into diamond through electronic excited states

    CERN Document Server

    Nakayama, H

    2003-01-01

    An ab initio total energy calculation has been performed for electronic excited states in diamond and rhombohedral graphite by the full-potential linearized augmented plane wave method within the framework of the local density approximation (LDA). First, calculations for the core-excited state in diamond have been performed to show that the ab initio calculations based on the LDA describe the wavefunctions in the electronic excited states as well as in the ground state quite well. Fairly good coincidence with both experimental data and theoretical prediction has been obtained for the lattice relaxation of the core exciton state. The results of the core exciton state are compared with nitrogen-doped diamond. Next, the structural stability of rhombohedral graphite has been investigated to examine the possibility of the transition into the diamond structure through electronic excited states. While maintaining the rhombohedral symmetry, rhombohedral graphite can be spontaneously transformed to cubic diamond. Tota...

  5. Two-Photon Excitation of Conjugated Molecules in Solution: Spectroscopy and Excited-State Dynamics

    Science.gov (United States)

    Elles, Christopher G.; Houk, Amanda L.; de Wergifosse, Marc; Krylov, Anna

    2017-06-01

    We examine the two-photon absorption (2PA) spectroscopy and ultrafast excited-state dynamics of several conjugated molecules in solution. By controlling the relative wavelength and polarization of the two photons, the 2PA measurements provide a more sensitive means of probing the electronic structure of a molecule compared with traditional linear absorption spectra. We compare experimental spectra of trans-stilbene, cis-stilbene, and phenanthrene in solution with the calculated spectra of the isolated molecules using EOM-EE-CCSD. The calculated spectra show good agreement with the low-energy region of the experimental spectra (below 6 eV) after suppressing transitions with strong Rydberg character and accounting for solvent and method-dependent shifts of the valence transitions. We also monitor the excited state dynamics following two-photon excitation to high-lying valence states of trans-stilbene up to 6.5 eV. The initially excited states rapidly relax to the lowest singlet excited state and then follow the same reaction path as observed following direct one-photon excitation to the lowest absorption band at 4.0 eV.

  6. Nuclear structure with coherent states

    CERN Document Server

    Raduta, Apolodor Aristotel

    2015-01-01

    This book covers the essential features of a large variety of nuclear structure properties, both collective and microscopic in nature. Most of results are given in an analytical form thus giving deep insight into the relevant phenomena. Using coherent states as variational states, which allows a description in the classical phase space, or provides the generating function for a boson basis, is an efficient tool to account, in a realistic fashion, for many complex properties. A detailed comparison with all existing nuclear structure models provides readers with a proper framework and, at the same time, demonstrates the prospects for new developments. The topics addressed are very much of current concern in the field. The book will appeal to practicing researchers and, due to its self-contained account, can also be successfully read and used by new graduate students.

  7. A Simple Hubbard Model for the Excited States of Dibenzoterrylene

    CERN Document Server

    Sadeq, Z S

    2016-01-01

    We use a simple Hubbard model to characterize the electronic excited states of the dibenzoterrylene (DBT) molecule; we compute the excited state transition energies and oscillator strengths from the ground state to several singlet excited states. We consider the lowest singlet and triplet states of the molecule, examine their wavefunctions, and compute the density correlation functions that describe these states. We find that the DBT ground state is mostly a closed shell singlet with very slight radical character. We predict a relatively small singlet-triplet splitting of 0.75 eV, which is less than the mid-sized -acenes but larger than literature predictions for this state; this is because the Hubbard interaction makes a very small correction to the singlet and triplet states.

  8. Coherent excitation of a single atom to a Rydberg state

    DEFF Research Database (Denmark)

    Miroshnychenko, Yevhen; Gaëtan, Alpha; Evellin, Charles

    2010-01-01

    We present the coherent excitation of a single Rubidium atom to the Rydberg state 58d3/2 using a two-photon transition. The experimental setup is described in detail, as are experimental techniques and procedures. The coherence of the excitation is revealed by observing Rabi oscillations between...

  9. Electronically excited states of tryptamine and its microhydrated complex

    NARCIS (Netherlands)

    Schmitt, M.; Brause, R.; Marian, C.M.; Salzmann, S.; Meerts, W.L.

    2006-01-01

    The lowest electronically excited singlet states of tryptamine and the tryptamine (H2O)(1) cluster have been studied, using time dependent density functional theory for determination of the geometries and multireference configuration interaction for the vertical and adiabatic excitation energies,

  10. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shelby, Megan L. [Chemical; Department; Lestrange, Patrick J. [Department; Jackson, Nicholas E. [Department; Haldrup, Kristoffer [Physics; Mara, Michael W. [Chemical; Department; Stickrath, Andrew B. [Chemical; Zhu, Diling [LCLS, SLAC National Laboratory, Menlo Park, California 94025, United States; Lemke, Henrik T. [LCLS, SLAC National Laboratory, Menlo Park, California 94025, United States; Chollet, Matthieu [LCLS, SLAC National Laboratory, Menlo Park, California 94025, United States; Hoffman, Brian M. [Department; Li, Xiaosong [Department; Chen, Lin X. [Chemical; Department

    2016-07-06

    Photoexcited Nickel(II) tetramesitylporphyrin (NiTMP), like many open-shell metalloporphyrins, relaxes rapidly through multiple electronic states following an initial porphyrin-based excitation, some involving metal centered electronic configuration changes that could be harnessed catalytically before excited state relaxation. While a NiTMP excited state present at 100 ps was previously identified by X-ray transient absorption (XTA) spectroscopy at a synchrotron source as a relaxed (d,d) state, the lowest energy excited state (J. Am. Chem. Soc., 2007, 129, 9616 and Chem. Sci., 2010, 1, 642), structural dynamics before thermalization were not resolved due to the similar to 100 ps duration of the available X-ray probe pulse. Using the femtosecond (fs) X-ray pulses of the Linac Coherent Light Source (LCLS), the Ni center electronic configuration from the initial excited state to the relaxed (d,d) state has been obtained via ultrafast Ni K-edge XANES (X-ray absorption near edge structure) on a time scale from hundreds of femtoseconds to 100 ps. This enabled the identification of a short-lived Ni(I) species aided by time-dependent density functional theory (TDDFT) methods. Computed electronic and nuclear structure for critical excited electronic states in the relaxation pathway characterize the dependence of the complex's geometry on the electron occupation of the 3d orbitals. Calculated XANES transitions for these excited states assign a short-lived transient signal to the spectroscopic signature of the Ni(I) species, resulting from intramolecular charge transfer on a time scale that has eluded previous synchrotron studies. These combined results enable us to examine the excited state structural dynamics of NiTMP prior to thermal relaxation and to capture intermediates of potential photocatalytic significance.

  11. Excited state of {sup 7}He and its unique structure

    Energy Technology Data Exchange (ETDEWEB)

    Korsheninnikov, A.A.; Golovkov, M.S.; Ozawa, A.; Yoshida, K.; Tanihata, I.; Fulop, Z.; Kusaka, K.; Morimoto, K.; Otsu, H.; Petrascu, H.; Tokanai, F. [Institute of Physical and Chemical Research, Wako, Saitama (Japan); Kuzmin, E.A.; Nikolskii, E.Yu.; Novatskii, B.G.; Ogloblin, A.A. [Russian Research Centre Kurchatov Inst., Moscow (Russian Federation)

    2000-07-01

    The transfer reaction p({sup 8}He,d){sup 7}He with the exotic {sup 8}He-beam has been studied by correlational measurements, and an excited state of {sup 7}He was observed. Most likely, it has a structure with a neutron in an excited state coupled to the {sup 6}He-core which itself is in the excited 2{sup +}-state. The transfer reaction p({sup 8}He,{sup 2}He){sup 7}H was also studied, and manifestation on the possible existence of the resonance {sup 7}H was obtained. (orig.)

  12. Role of nuclear couplings in the inelastic excitation of weakly-bound neutron-rich nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Dasso, C.H. [Niels Bohr Institute, Copenhagen (Denmark); Lenzi, S.M.; Vitturi, A. [Universita di Padova (Italy)

    1996-12-31

    Much effort is presently devoted to the study of nuclear systems far from the stability line. Particular emphasis has been placed in light systems such as {sup 11}Li, {sup 8}B and others, where the very small binding energy of the last particles causes their density distribution to extend considerably outside of the remaining nuclear core. Some of the properties associated with this feature are expected to characterize also heavier systems in the vicinity of the proton or neutron drip lines. It is by now well established that low-lying concentrations of multipole strength arise from pure configurations in which a peculiar matching between the wavelength of the continuum wavefunction of the particles and the range of the weakly-bound hole states occurs. To this end the authors consider the break-up of a weakly-bound system in a heavy-ion collision and focus attention in the inelastic excitation of the low-lying part of the continuum. They make use of the fact that previous investigations have shown that the multipole response in this region is not of a collective nature and describe their excited states as pure particle-hole configurations. Since the relevant parameter determining the strength distributions is the binding energy of the last bound orbital they find it most convenient to use single-particle wavefunctions generated by a sperical square-well potential with characteristic nuclear dimensions and whose depth has been adjusted to give rise to a situation in which the last occupied neutron orbital is loosely-bound. Spin-orbit couplings are, for the present purpose, ignored. The results of this investigation clearly indicate that nuclear couplings have the predominant role in causing projectile dissociation in many circumstances, even at bombarding energies remarkably below the Coulomb barrier.

  13. Negative Binomial States of the Radiation Field and their Excitations are Nonlinear Coherent States

    OpenAIRE

    Wang, Xiao-Guang; Fu, Hong-Chen

    1999-01-01

    We show that the well-known negative binomial states of the radiation field and their excitations are nonlinear coherent states. Excited nonlinear coherent state are still nonlinear coherent states with different nonlinear functions. We finally give exponential form of the nonlinear coherent states and remark that the binomial states are not nonlinear coherent states.

  14. Cyclopropyl Group: An Excited-State Aromaticity Indicator?

    Science.gov (United States)

    Ayub, Rabia; Papadakis, Raffaello; Jorner, Kjell; Zietz, Burkhard; Ottosson, Henrik

    2017-10-04

    The cyclopropyl (cPr) group, which is a well-known probe for detecting radical character at atoms to which it is connected, is tested as an indicator for aromaticity in the first ππ* triplet and singlet excited states (T 1 and S 1 ). Baird's rule says that the π-electron counts for aromaticity and antiaromaticity in the T 1 and S 1 states are opposite to Hückel's rule in the ground state (S 0 ). Our hypothesis is that the cPr group, as a result of Baird's rule, will remain closed when attached to an excited-state aromatic ring, enabling it to be used as an indicator to distinguish excited-state aromatic rings from excited-state antiaromatic and nonaromatic rings. Quantum chemical calculations and photoreactivity experiments support our hypothesis; calculated aromaticity indices reveal that openings of cPr substituents on [4n]annulenes ruin the excited-state aromaticity in energetically unfavorable processes. Yet, polycyclic compounds influenced by excited-state aromaticity (e.g., biphenylene), as well as 4nπ-electron heterocycles with two or more heteroatoms represent limitations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Excited state dynamics of liquid water near the surface

    Directory of Open Access Journals (Sweden)

    Schultz Thomas

    2013-03-01

    Full Text Available Time resolved photoelectron spectroscopy explores the excited state dynamics of liquid water in presence of cations close to the surface. A transient hydrated electroncation complex is observed.

  16. Vibrational kinetics of electronically excited states in H2 discharges

    Science.gov (United States)

    Colonna, Gianpiero; Pietanza, Lucia D.; D'Ammando, Giuliano; Celiberto, Roberto; Capitelli, Mario; Laricchiuta, Annarita

    2017-11-01

    The evolution of atmospheric pressure hydrogen plasma under the action of repetitively ns electrical pulse has been investigated using a 0D state-to-state kinetic model that self-consistently couples the master equation of heavy particles and the Boltzmann equation for free electrons. The kinetic model includes, together with atomic hydrogen states and the vibrational kinetics of H2 ground state, vibrational levels of singlet states, accounting for the collisional quenching, having a relevant role because of the high pressure. The mechanisms of excitations, radiative decay and collisional quenching involving the excited H2 states and the corresponding cross sections, integrated over the non-equilibrium electron energy distribution function (EEDF) to obtain kinetic rates, are discussed in the light of the kinetic simulation results, i.e. the time evolution during the pulse of the plasma composition, of the EEDF and of the vibrational distributions of ground and singlet excited states.

  17. Relaxation dynamics in the excited states of a ketocyanine dye ...

    Indian Academy of Sciences (India)

    WINTEC

    Pramanik et al proposed the twisted intramolecular charge transfer (TICT) process in the S1 state, which .... trile clearly suggests that a photon of 400 nm light excites the molecule to its S2 state, the higher energy emission .... 400 nm photon as well as the dynamics of the re- laxation processes taking place in the S1 state. At.

  18. Research program in nuclear and solid state physics

    Science.gov (United States)

    Stronach, C. E.

    1973-01-01

    The spectra of prompt gamma rays emitted following nuclear pion absorption were studied to determine the states of excited daughter nuclei, and the branching ratios for these states. Studies discussed include the negative pion absorption of C-12, S-32, and N-14; and the positive pion absorption on 0-16. Abstracts of papers submitted to the conference of the American Physical Society are included.

  19. Metastable states of highly excited heavy ions

    Science.gov (United States)

    Pegg, D. J.; Griffin, P. M.; Sellin, I. A.; Smith, W. W.; Donnally, B.

    1973-01-01

    Description of the method used and results obtained in an experimental study of the metastable states of highly stripped heavy ions, aimed at determining the lifetimes of such states by the rates of autoionization and radiation. The significance and limitations of the results presented are discussed.

  20. The excited state antiaromatic benzene ring: a molecular Mr Hyde?

    Science.gov (United States)

    Papadakis, Raffaello; Ottosson, Henrik

    2015-09-21

    The antiaromatic character of benzene in its first ππ* excited triplet state (T1) was deduced more than four decades ago by Baird using perturbation molecular orbital (PMO) theory [J. Am. Chem. Soc. 1972, 94, 4941], and since then it has been confirmed through a range of high-level quantum chemical calculations. With focus on benzene we now first review theoretical and computational studies that examine and confirm Baird's rule on reversal in the electron count for aromaticity and antiaromaticity of annulenes in their lowest triplet states as compared to Hückel's rule for the ground state (S0). We also note that the rule according to quantum chemical calculations can be extended to the lowest singlet excited state (S1) of benzene. Importantly, Baird, as well as Aihara [Bull. Chem. Soc. Jpn. 1978, 51, 1788], early put forth that the destabilization and excited state antiaromaticity of the benzene ring should be reflected in its photochemical reactivity, yet, today these conclusions are often overlooked. Thus, in the second part of the article we review photochemical reactions of a series of benzene derivatives that to various extents should stem from the excited state antiaromatic character of the benzene ring. We argue that benzene can be viewed as a molecular "Dr Jekyll and Mr Hyde" with its largely unknown excited state antiaromaticity representing its "Mr Hyde" character. The recognition of the "Jekyll and Hyde" split personality feature of the benzene ring can likely be useful in a range of different areas.

  1. Direct observation of photoinduced bent nitrosyl excited-state complexes

    Energy Technology Data Exchange (ETDEWEB)

    Sawyer, Karma R.; Steele, Ryan P.; Glascoe, Elizabeth A.; Cahoon, James F.; Schlegel, Jacob P.; Head-Gordon, Martin; Harris, Charles B.

    2008-06-28

    Ground state structures with side-on nitrosyl ({eta}{sup 2}-NO) and isonitrosyl (ON) ligands have been observed in a variety of transition-metal complexes. In contrast, excited state structures with bent-NO ligands have been proposed for years but never directly observed. Here we use picosecond time-resolved infrared spectroscopy and density functional theory (DFT) modeling to study the photochemistry of Co(CO){sub 3}(NO), a model transition-metal-NO compound. Surprisingly, we have observed no evidence for ON and {eta}{sup 2}-NO structural isomers, but have observed two bent-NO complexes. DFT modeling of the ground and excited state potentials indicates that the bent-NO complexes correspond to triplet excited states. Photolysis of Co(CO){sub 3}(NO) with a 400-nm pump pulse leads to population of a manifold of excited states which decay to form an excited state triplet bent-NO complex within 1 ps. This structure relaxes to the ground triplet state in ca. 350 ps to form a second bent-NO structure.

  2. Influence of nuclear dissipation on fission dynamics of the excited ...

    Indian Academy of Sciences (India)

    2016-05-31

    May 31, 2016 ... The magnitude of nuclear dissipation is one of the most interesting and challenging problems in nuclear physics, particularly in low and intermediate energy regions of heavy ion physics. At present, there are sev- eral models for dissipation but they give dependences which are very different from each other ...

  3. High-energy excited states in {sup 98}Cd

    Energy Technology Data Exchange (ETDEWEB)

    Blazhev, A; Braun, N; Jolie, J [Universitaet zu Koeln, Cologne (Germany); Grawe, H; Boutachkov, P; Gorska, M; Pietri, S; Domingo-Pardo, C; Kojouharov, I; Caceres, L; Engert, T; Farinon, F; Gerl, J; Goel, N [GSI, Darmstadt (Germany); Singh, B S Nara; Brock, T; Wadsworth, R [University of York, York (United Kingdom); Liu, Zh [University of Edinburgh, Edinburgh (United Kingdom); Nowacki, F [IPHC, Strasbourg (France); Grebosz, J, E-mail: a.blazhev@ikp.uni-koeln.d [IFJ PAN, Krakow (Poland)

    2010-01-01

    In {sup 98}Cd a new high-energy isomeric {gamma}-ray transition was identified, which confirms previous spin-parity assignments and enables for the first time the measurement of the E2 and E4 strength for the two decay branches of the isomer. Preliminary results on the {sup 98}Cd high-excitation level scheme are presented. A comparison to shell-model calculations as well as implications for the nuclear structure around {sup 100}Sn are discussed.

  4. Acute excited states and sudden death

    National Research Council Canada - National Science Library

    Farnham, Frank R; Kennedy, Henry G

    1997-01-01

    ... mortality. 2 Such deaths, often in police custody or other highly charged situations, commonly give rise to high profile coroner's hearings and inquiries. 3 In the era before neuroleptics death in such agitated states was attributed to exhaustion, though neuroleptic malignant syndrome and the cardiac effects of neuroleptics now often enter into considerat...

  5. Excited states of muonium in atomic hydrogen

    Indian Academy of Sciences (India)

    Differential cross-section results are found to resemble positronium formation cross-section results of positron–hydrogen charge-exchange problem. Forward ... using velocity scaling are compared with the results of the present calculation. .... to carry out calculations for e− capture by muon into n = 2 and n = 3 states.

  6. Entanglement entropy in excited states of the quantum Lifshitz model

    Science.gov (United States)

    Parker, Daniel E.; Vasseur, Romain; Moore, Joel E.

    2017-06-01

    We investigate the entanglement properties of an infinite class of excited states in the quantum Lifshitz model (QLM). The presence of a conformal quantum critical point in the QLM makes it unusually tractable for a model above one spatial dimension, enabling the ground state entanglement entropy for an arbitrary domain to be expressed in terms of geometrical and topological quantities. Here we extend this result to excited states and find that the entanglement can be naturally written in terms of quantities which we dub ‘entanglement propagator amplitudes’ (EPAs). EPAs are geometrical probabilities that we explicitly calculate and interpret. A comparison of lattice and continuum results demonstrates that EPAs are universal. This work shows that the QLM is an example of a 2  +  1d field theory where the universal behavior of excited-state entanglement may be computed analytically.

  7. Two-neutron decay of excited states of 11Li

    Science.gov (United States)

    Smith, Jenna; MoNA Collaboration

    2013-10-01

    One prominent example of a Borromean nucleus is the two-neutron halo nucleus, 11Li. All excited states of this nucleus are unbound to two-neutron decay. Many theories propose that the two valence neutrons exhibit dineutron behavior in the ground state, but it is unclear what effect such a structure would have on the decay of the excited states. We have recently completed an experiment designed to study the decay of one of these excited states. Unbound 11Li was populated via a two-proton knockout from 13B. The two emitted neutrons were detected with the Modular Neutron Array (MoNA) and the Large-area multi-Institutional Scintillator Array (LISA) in coincidence with the daughter fragment, 9Li. Preliminary results will be discussed.

  8. Photoionization of excited states of neon-like Mg III

    Indian Academy of Sciences (India)

    The close coupling -matrix method is used to calculate cross-sections for photoionization of Mg III from its first three excited states. Configuration interaction wave functions are used to represent two target states of Mg III retained in the -matrix expansion. The positions and effective quantum numbers for the Rydberg ...

  9. Excited state conformational dynamics in carotenoids: dark intermediates and excitation energy transfer.

    Science.gov (United States)

    Beck, Warren F; Bishop, Michael M; Roscioli, Jerome D; Ghosh, Soumen; Frank, Harry A

    2015-04-15

    A consideration of the excited state potential energy surfaces of carotenoids develops a new hypothesis for the nature of the conformational motions that follow optical preparation of the S2 (1(1)Bu(+)) state. After an initial displacement from the Franck-Condon geometry along bond length alternation coordinates, it is suggested that carotenoids pass over a transition-state barrier leading to twisted conformations. This hypothesis leads to assignments for several dark intermediate states encountered in femtosecond spectroscopic studies. The Sx state is assigned to the structure reached upon the onset of torsional motions near the transition state barrier that divides planar and twisted structures on the S2 state potential energy surface. The X state, detected recently in two-dimensional electronic spectra, corresponds to a twisted structure well past the barrier and approaching the S2 state torsional minimum. Lastly, the S(∗) state is assigned to a low lying S1 state structure with intramolecular charge transfer character (ICT) and a pyramidal conformation. It follows that the bent and twisted structures of carotenoids that are found in photosynthetic light-harvesting proteins yield excited-state structures that favor the development of an ICT character and optimized energy transfer yields to (bacterio)chlorophyll acceptors. Copyright © 2015 Elsevier Inc. All rights reserved.

  10. The first quadrupole excitations in spherical nuclei and nuclear pairing

    Directory of Open Access Journals (Sweden)

    Saperstein E. E.

    2012-12-01

    Full Text Available Excitation energies and transition probabilities of the first 2+ excitations in even lead, tin and nickel isotopes are calculated within the self-consistent Theory of Finite Fermi Systems based on the Energy Density Functional by Fayans et al. A reasonable agreement with available experimental data is obtained. The effect of the density dependence of the effective pairing interaction is analyzed in detail by comparing results obtained with volume and surface pairing. The effect is found to be noticeable, especially for the 2+-energies which are systematically higher at 200–300 keV for the volume paring as compared with the surface pairing case, the latterbeing in a better agreement with the data.

  11. Thermally excited multiplet states in macerals separated from bituminous coal

    Science.gov (United States)

    Wieckowski; Pilawa; Swiatkowska; Wojtowicz; Slowik; Lewandowski

    2000-07-01

    Electron paramagnetic resonance searches of thermally excited multiplet states in macerals, exinite, vitrinite, and inertinite of Polish medium-rank coal (85.6 wt% C), were performed. Numerical analysis of lineshape indicates a multicomponent structure of the EPR spectra of macerals heated at 300 degrees and 650 degrees C. EPR spectra of exinite and vitrinite are a superposition of broad Gauss, broad Lorentz (Lorentz 1), and narrow Lorentz (Lorentz 3) lines. Two narrow Lorentz (Lorentz 2 and Lorentz 3) lines were observed in the resonance absorption curves of inertinite. The influence of the measuring temperature (100-300 K) on the EPR lines of the macerals was also studied. The experimentally obtained temperature dependence of the EPR line intensities were fitted by the theoretical functions characteristic for paramagnetic centers with ground doublet state (S = 12) and paramagnetic centers with thermally excited triplet (S = 1) and quadruplet (S = 32) states. Thermally excited multiplet states were found in exinite and vitrinite. Both paramagnetic centers with doublet ground state (S = 12) and paramagnetic centers with thermally excited states, probably quadruplet states (S = 32), exist in the group of paramagnetic centers of exinite and vitrinite with the broad Lorentz 1 lines. Intensities (I) of the broad Gauss and the narrow Lorentz 3 lines of exinite and vitrinite changes with temperature according to the Curie law (I = C/T). The existence of thermally excited multiplet states was not stated for inertinite. The two groups of paramagnetic centers of inertinite with Lorentz 2 and Lorentz 3 lines obey the Curie law. Copyright 2000 Academic Press.

  12. Detection of Actinides via Nuclear Isomer De-Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Francy, Christopher J. [Oregon State Univ., Corvallis, OR (United States)

    2009-07-01

    This dissertation discusses a data collection experiment within the Actinide Isomer Identification project (AID). The AID project is the investigation of an active interrogation technique that utilizes nuclear isomer production, with the goal of assisting in the interdiction of illicit nuclear materials. In an attempt to find and characterize isomers belonging to 235U and its fission fragments, a 232Th target was bombarded with a monoenergetic 6Li ion beam, operating at 45 MeV.

  13. Accurate Excited State Geometries within Reduced Subspace TDDFT/TDA.

    Science.gov (United States)

    Robinson, David

    2014-12-09

    A method for the calculation of TDDFT/TDA excited state geometries within a reduced subspace of Kohn-Sham orbitals has been implemented and tested. Accurate geometries are found for all of the fluorophore-like molecules tested, with at most all valence occupied orbitals and half of the virtual orbitals included but for some molecules even fewer orbitals. Efficiency gains of between 15 and 30% are found for essentially the same level of accuracy as a standard TDDFT/TDA excited state geometry optimization calculation.

  14. Can $\\beta$-decay probe excited state halos?

    CERN Multimedia

    2002-01-01

    In the first experiment at the newly constructed ISOLDE Facility the first-forbidden $\\beta$-decay of $^{17}$Ne into the first excited state of $^{17}$F has been measured. It is a factor two faster than the corresponding mirror decay and thus gives one of the largest recorded asymmetries for $\\beta$-decays feeding bound final states. Shell-model calculations can only reproduce the asymmetry if the halo structure of the $^{17}$F state is taken into account.

  15. Hyperfine structure in 229gTh3+ as a probe of the 229gTh→ 229mTh nuclear excitation energy.

    Science.gov (United States)

    Beloy, K

    2014-02-14

    We identify a potential means to extract the 229gTh→ 229mTh nuclear excitation energy from precision microwave spectroscopy of the 5F(5/2,7/2) hyperfine manifolds in the ion 229gTh3+. The hyperfine interaction mixes this ground fine structure doublet with states of the nuclear isomer, introducing small but observable shifts to the hyperfine sublevels. We demonstrate how accurate atomic structure calculations may be combined with the measurement of the hyperfine intervals to quantify the effects of this mixing. Further knowledge of the magnetic dipole decay rate of the isomer, as recently reported, allows an indirect determination of the nuclear excitation energy.

  16. Influence of nuclear dissipation on fission dynamics of the excited ...

    Indian Academy of Sciences (India)

    A stochastic approach to fission dynamics based on two-dimensional Langevin equations was applied to calculate the anisotropy of the fission fragments angular distribution and average pre-scission neutron multiplicities for the compound nucleus 248Cf formed in the $${16}$O+$^{232}$Th reactions. Postsaddle nuclear ...

  17. Excited state carbene formation from UV irradiated diazomethane.

    Science.gov (United States)

    Lee, Hosik; Miyamoto, Yoshiyuki; Tateyama, Yoshitaka

    2009-01-16

    The laser flash photolysis process of diazomethane has been studied by using a real time propagation time-dependent density functional theory (RTP-TDDFT) combined with molecular dynamics. The activation energy barrier for disintegrating diazomethane into nitrogen (N(2)) and carbene (CH(2)) molecules significantly decreases in the electronic excited S(1) state compared to that in the S(0) ground state. Furthermore, the produced carbene molecule can be in the electronic excited state of (1)CH(2) ((1)B(1)) instead of the lowest state among singlet states (1)CH(2) ((1)A(1)), which is evident in the wave function characteristics of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) throughout the disintegration. This is regarded as the initial stage of the rearrangement in the excited state (RIES), the evidence of which has been given by experiments in the past decade. In the RIES mechanism scheme, we suggest that the photoreaction in the S(1) state contributes considerably to the photochemistry of carbene formation. The passing near the S(1)/S(0) conical intersection, which allows the transition to ground state diazomethane producing the lowest singlet state carbene molecule, is considered a rare event from our molecular dynamics, although this has been regarded as the dominant mechanism in previous theoretical studies.

  18. Coulomb-nuclear interference (CNI) results of the collective quadrupolar excitations in odd and even Ru isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, C.L.; Rodrigues, M.R.D.; Borello-Lewin, T.; Horodynski-Matsushigue, L.B.; Duarte, J. L.M.; Hanninger, G.N. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica; Ukita, G.M. [Universidade de Santo Amaro, SP (Brazil). Faculdade de Psicologia

    2004-09-15

    The study of the odd {sup 99,101}Ru nuclei complements the investigation of the collectivity of the first quadrupolar excitations in {sup 100,102,104}Ru. Angular distributions for the {sup 99,101}Ru(d, d') reactions at 13 MeV were obtained in the Pelletron Laboratory using nuclear emulsion plates on the focal plane of the Enge spectrograph. A Coulomb- Nuclear Interference analysis employing DWBA-DOMP predictions with global optical potential parameters was applied to the excitation of states which could belong to the multiplet built on the first quadrupolar excitation of the core. In the analysis, three states were identified for each of the isotopes and associated, respectively, with adopted levels in the Nuclear Data Sheets Compilation of J{pi} = 5=2{sup +}, 7=2{sup +} and 9=2{sup +}. Through the comparison of experimental and predicted cross section angular distributions, the values of ({delta}{sup L}{sub N}){sup 2} and of the ratio C = {delta}{sub L}{sup C} /{delta}{sub L}{sup N} were obtained. (author)

  19. Photoionization of excited states of neon-like Mg III

    Indian Academy of Sciences (India)

    . In the present work we have used the close coupling R-matrix method [8,11] to ob- tain accurate photoionization cross-section from the first three excited 1s22s22p53s 3 1P0,. 1s22s22p53p 3Se states of Mg III, allowing for the residual ion to ...

  20. Excited electronic state decomposition mechanisms of clusters of ...

    Indian Academy of Sciences (India)

    In this report, electronically non-adiabatic decomposition pathways of clusters of dimethylnitramine and aluminum (DMNA-Al and DMNA-Al2) are discussed in comparison to isolated dimethylnitramine (DMNA). Electronically excited state processes of DMNA-Al and DMNA-Al2 are explored using the complete active space ...

  1. Size dependent deactivation of the excited state of DHICA

    DEFF Research Database (Denmark)

    Gauden, Magdalena; Pezzella, Alessandro; Panzella, Lucia

    2008-01-01

    Melanin is a natural pigment mainly responsible for the protection of skin and eyes from UV damage. 5,6- dihydroxyindole- 2 carboxylic acid (DHICA) is a key melanin building block. We have investigated the excited state dynamics of DHICA as well as its derivatives and oligomeric units using...

  2. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several.

  3. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several other ...

  4. Lattice QCD determination of patterns of excited baryon states

    CERN Document Server

    Basak, Subhasish; Fleming, G T; Juge, K J; Lichtl, A; Morningstar, C; Richards, D G; Sato, I; Wallace, S J

    2007-01-01

    Energies for excited isospin I=1/2 and I=3/2 states that include the nucleon and Delta families of baryons are computed using quenched, anisotropic lattices. Baryon interpolating field operators that are used include nonlocal operators that provide G_2 irreducible representations of the octahedral group. The decomposition of spin 5/2 or higher spin states is realized for the first time in a lattice QCD calculation. We observe patterns of degenerate energies in the irreducible representations of the octahedral group that correspond to the subduction of the continuum spin 5/2 or higher. The overall pattern of low-lying excited states corresponds well to the pattern of physical states subduced to the irreducible representations of the octahedral group.

  5. Sub-50 fs excited state dynamics of 6-chloroguanine upon deep ultraviolet excitation.

    Science.gov (United States)

    Mondal, Sayan; Puranik, Mrinalini

    2016-05-18

    The photophysical properties of natural nucleobases and their respective nucleotides are ascribed to the sub-picosecond lifetime of their first singlet states in the UV-B region (260-350 nm). Electronic transitions of the ππ* type, which are stronger than those in the UV-B region, lie at the red edge of the UV-C range (100-260 nm) in all isolated nucleobases. The lowest energetic excited states in the UV-B region of nucleobases have been investigated using a plethora of experimental and theoretical methods in gas and solution phases. The sub-picosecond lifetime of these molecules is not a general attribute of all nucleobases but specific to the five primary nucleobases and a few xanthine and methylated derivatives. To determine the overall UV photostability, we aim to understand the effect of more energetic photons lying in the UV-C region on nucleobases. To determine the UV-C initiated photophysics of a nucleobase system, we chose a halogen substituted purine, 6-chloroguanine (6-ClG), that we had investigated previously using resonance Raman spectroscopy. We have performed quantitative measurements of the resonance Raman cross-section across the Bb absorption band (210-230 nm) and constructed the Raman excitation profiles. We modeled the excitation profiles using Lee and Heller's time-dependent theory of resonance Raman intensities to extract the initial excited state dynamics of 6-ClG within 30-50 fs after photoexcitation. We found that imidazole and pyrimidine rings of 6-ClG undergo expansion and contraction, respectively, following photoexcitation to the Bb state. The amount of distortions of the excited state structure from that of the ground state structure is reflected by the total internal reorganization energy that is determined at 112 cm(-1). The contribution of the inertial component of the solvent response towards the total reorganization energy was obtained at 1220 cm(-1). In addition, our simulation also yields an instantaneous response of the first

  6. Optimized resonating valence bond state in square lattice: correlations & excitations

    Directory of Open Access Journals (Sweden)

    Z Nourbakhsh

    2009-09-01

    Full Text Available We consider RVB state as a variational estimate for the ground state of Heisenberg antiferromagnet in square lattice. We present numerical calculation of energy, spin-spin correlation function and spin excitation spectrum. We show, that the quantum flactuations reduce of magnetization respect to Neel order. Our results are in good agreement with other methods such as spin-wave calculation and series expansions.

  7. Soliton-like states of the pion field in nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Kurilkin, N.N.; Mishustin, I.N.; Khodel' , V.A.

    1982-07-01

    The Weinberg nonlinear Lagrangian is used to demonstrate the possibility that soliton-like clusters of the pion field exist in nuclear matter. These clusters are multipion coherent states which interact strongly with the surrounding nuclear matter. The stability of these states with respect to various decay channels, in particular, decay into separate pions, is studied. The properties of these pionic solitons and their relation to the parameters of the spectrum of linear pion excitations in nuclear matter are discussed.

  8. Excited S-symmetry states of positronic lithium and beryllium.

    Science.gov (United States)

    Strasburger, Krzysztof

    2016-04-14

    The possibility of the existence of excited S-symmetry states of positronic lithium and beryllium, resulting from the positron attachment to high-spin P parent atomic states, is examined and confirmed with variational calculations in the basis of explicitly correlated Gaussian functions. The unexpectedly different order of the energies of the S and P states is explained by the formation of the positronium cluster structure and associated disappearance of the destabilizing centrifugal force. The annihilation properties of newly discovered states are discussed in the context of prospective experimental detection.

  9. Excitation functions and mass asymmetric fission barriers for compound nuclei sup 7 sup 0 sup , sup 7 sup 6 Se 24.60.Dr; 25.85.Ge; 24.75.+i; Nuclear reactions 12C(58,64Ni,X); E=6-14A MeV; Measured sigma(Z) vs E; Deduced mass asymmetric fission barriers for 70,76Se; Transition state fission rates

    CERN Document Server

    Fan, T S; Phair, L; Tso, K; McMahan, M; Hanold, K A; Wozniak, G J; Moretto, L G

    2000-01-01

    Excitation functions were measured for complex fragments with atomic number Z=5-20 emitted from the compound nuclei sup 7 sup 0 sup , sup 7 sup 6 Se produced in the reactions sup 5 sup 8 sup , sup 6 sup 4 Ni+ sup 1 sup 2 C. Mass asymmetric fission barriers were extracted by fitting the excitation functions with a transition state formalism. The extracted barriers were compared with those calculated from macroscopic nuclear models. The measured barriers for symmetric fission seem to support the hypothesis of a shape-dependent congruence energy, which doubles for fission of strongly indented saddle-point shapes. All of the measured excitation functions can be scaled onto a single straight line according to the transition state prediction.

  10. Three-photon Gaussian–Gaussian–Laguerre–Gaussian excitation of a localized atom to a highly excited Rydberg state

    Science.gov (United States)

    Mashhadi, L.

    2017-12-01

    Optical vortices are currently one of the most intensively studied topics in light–matter interaction. In this work, a three-step axial Doppler- and recoil-free Gaussian–Gaussian-Laguerre–Gaussian (GGLG) excitation of a localized atom to the highly excited Rydberg state is presented. By assuming a large detuning for intermediate states, an effective quadrupole excitation related to the Laguerre–Gaussian (LG) excitation to the highly excited Rydberg state is obtained. This special excitation system radially confines the single highly excited Rydberg atom independently of the trapping system into a sharp potential landscape into the so-called ‘far-off-resonance optical dipole-quadrupole trap’ (FORDQT). The key parameters of the Rydberg excitation to the highly excited state, namely the effective Rabi frequency and the effective detuning including a position-dependent AC Stark shift, are calculated in terms of the basic parameters of the LG beam and of the polarization of the excitation lasers. It is shown that the obtained parameters can be tuned to have a precise excitation of a single atom to the desired Rydberg state as well. The features of transferring the optical orbital and spin angular momentum of the polarized LG beam to the atom via quadrupole Rydberg excitation offer a long-lived and controllable qudit quantum memory. In addition, in contrast to the Gaussian laser beam, the doughnut-shaped LG beam makes it possible to use a high intensity laser beam to increase the signal-to-noise ratio in quadrupole excitation with minimized perturbations coming from stray light broadening in the last Rydberg excitation process.

  11. Super-atom molecular orbital excited states of fullerenes.

    Science.gov (United States)

    Johansson, J Olof; Bohl, Elvira; Campbell, Eleanor E B

    2016-09-13

    Super-atom molecular orbitals are orbitals that form diffuse hydrogenic excited electronic states of fullerenes with their electron density centred at the centre of the hollow carbon cage and a significant electron density inside the cage. This is a consequence of the high symmetry and hollow structure of the molecules and distinguishes them from typical low-lying molecular Rydberg states. This review summarizes the current experimental and theoretical studies related to these exotic excited electronic states with emphasis on femtosecond photoelectron spectroscopy experiments on gas-phase fullerenes.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. © 2016 The Author(s).

  12. Electronic excited states at ultrathin dielectric-metal interfaces

    Science.gov (United States)

    Sementa, L.; Marini, A.; Barcaro, G.; Negreiros, F. R.; Fortunelli, A.

    2013-09-01

    Electronic excited states at a bcc(110) lithium surface, both bare and covered by ionic ultrathin (1-2 monolayers) LiF epitaxial films, are investigated via many-body perturbation theory calculations achieving an atomistic level of detail. The full self-consistent solution of the GW equations is used to account for correlation effects and to properly describe the screened potential in the vacuum. In addition to the correct prediction of image-potential states, we find that the mixing between resonances and image states and the charge compression due to the dielectric ultrathin overlayer give rise to excitations with a hybrid localized but low-lying character whose accurate description cannot intrinsically be achieved via simple models or low-level calculations, but which are expected to play a crucial role in determining the electronic response and transport properties of these systems.

  13. Ab initio excited states from the in-medium similarity renormalization group

    Science.gov (United States)

    Parzuchowski, N. M.; Morris, T. D.; Bogner, S. K.

    2017-04-01

    We present two new methods for performing ab initio calculations of excited states for closed-shell systems within the in-medium similarity renormalization group (IMSRG) framework. Both are based on combining the IMSRG with simple many-body methods commonly used to target excited states, such as the Tamm-Dancoff approximation (TDA) and equations-of-motion (EOM) techniques. In the first approach, a two-step sequential IMSRG transformation is used to drive the Hamiltonian to a form where a simple TDA calculation (i.e., diagonalization in the space of 1 p 1 h excitations) becomes exact for a subset of eigenvalues. In the second approach, EOM techniques are applied to the IMSRG ground-state-decoupled Hamiltonian to access excited states. We perform proof-of-principle calculations for parabolic quantum dots in two dimensions and the closed-shell nuclei 16O and 22O. We find that the TDA-IMSRG approach gives better accuracy than the EOM-IMSRG when calculations converge, but it is otherwise lacking the versatility and numerical stability of the latter. Our calculated spectra are in reasonable agreement with analogous EOM-coupled-cluster calculations. This work paves the way for more interesting applications of the EOM-IMSRG approach to calculations of consistently evolved observables such as electromagnetic strength functions and nuclear matrix elements, and extensions to nuclei within one or two nucleons of a closed shell by generalizing the EOM ladder operator to include particle-number nonconserving terms.

  14. Controlling excited-state contamination in nucleon matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy; Engelhardt, Michael; Green, Jeremy; Joó, Bálint; Lin, Huey-Wen; Negele, John; Orginos, Kostas; Pochinsky, Andrew; Richards, David; Syritsyn, Sergey; Winter, Frank

    2016-06-01

    We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1 flavor ensemble with lattices of size $32^3 \\times 64$ generated using the rational hybrid Monte Carlo algorithm at $a=0.081$~fm and with $M_\\pi=312$~MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a two-state fit to data at multiple values of the source-sink separation $t_{\\rm sep}$. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost-effectiveness. A detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of $t_{\\rm sep}$ needed to demonstrate convergence of the isovector charges of the nucleon to the $t_{\\rm sep} \\to \\infty $ estimates is presented.

  15. Signature of nonadiabatic coupling in excited-state vibrational modes.

    Science.gov (United States)

    Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian

    2014-11-13

    Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.

  16. Survey of nuclei for low-energy nuclear excitation in laser-produced plasma

    Energy Technology Data Exchange (ETDEWEB)

    Granja, C. [Institute of Experimental and Applied Physics, Czech Technical University, 128 00 Prague 2 (Czech Republic)]. E-mail: carlos.granja@utef.cvut.cz; Kuba, J. [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, 115 19 Prague 1 (Czech Republic); Haiduk, A. [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, 115 19 Prague 1 (Czech Republic); Renner, O. [Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21 Prague 8 (Czech Republic)

    2007-03-01

    We present a survey of stable and long-lived nuclei as well as nuclear isomers looking for candidates of studies of low-energy (1-30 keV) nuclear excitation by laser-produced plasma radiation. We concentrate on medium-size high-power lasers with pulse duration of hundreds of ps providing energy up to 1000 J and subrelativistic intensity of 10{sup 16}-10{sup 17} Wcm{sup -2}. Screening criteria are primarily the transition energy and the half-life, spin and parity of nuclear levels. Ta181 is suggested as first candidate for which an estimation of reaction efficiency is included.

  17. Excited-State N2 Dissociation Pathway on Fe-Functionalized Au.

    Science.gov (United States)

    Martirez, John Mark P; Carter, Emily A

    2017-03-29

    Localized surface plasmon resonances (LSPRs) offer the possibility of light-activated chemical catalysis on surfaces of strongly plasmonic metal nanoparticles. This technology relies on lower-barrier bond formation and/or dissociation routes made available through energy transfer following the eventual decay of LSPRs. The coupling between these decay processes and a chemical trajectory (nuclear motion, charge-transfer, intersystem crossing, etc.) dictates the availability of these alternative (possibly lower barrier) excited-state channels. The Haber-Bosch method of NH3 synthesis from N2 and H2 is notoriously energy intensive. This is due to the difficulty of N2 dissociation despite the overall reaction being thermodynamically favorable at ambient temperatures and pressures. LSPRs may provide means to improve the kinetics of N2 dissociation via induced resonance electronic excitation. In this work, we calculate, via embedded n-electron valence second-order perturbation theory within the density functional embedding theory, the excited-state potential energy surfaces for dissociation of N2 on an Fe-doped Au(111) surface. This metal alloy may take advantage simultaneously of the strong LSPR of Au and the catalytic activity of Fe toward N2 dissociation. We find the ground-state dissociation activation energy to be 4.74 eV/N2, with Fe as the active site on the surface. Consecutive resonance energy transfers (RETs) may be accessed due to the availability of many electronically excited states with intermediate energies arising from the metal surface that may couple to states induced by the Fe-dopant and the adsorbate molecule, and crossing between excited states may effectively lower the dissociation barrier to 1.33 eV. Our work illustrates that large energetic barriers, prohibitive toward chemical reaction, may be overcome through multiple RETs facilitating an otherwise difficult chemical process.

  18. Minimal-excitation states for electron quantum optics using levitons.

    Science.gov (United States)

    Dubois, J; Jullien, T; Portier, F; Roche, P; Cavanna, A; Jin, Y; Wegscheider, W; Roulleau, P; Glattli, D C

    2013-10-31

    The on-demand generation of pure quantum excitations is important for the operation of quantum systems, but it is particularly difficult for a system of fermions. This is because any perturbation affects all states below the Fermi energy, resulting in a complex superposition of particle and hole excitations. However, it was predicted nearly 20 years ago that a Lorentzian time-dependent potential with quantized flux generates a minimal excitation with only one particle and no hole. Here we report that such quasiparticles (hereafter termed levitons) can be generated on demand in a conductor by applying voltage pulses to a contact. Partitioning the excitations with an electronic beam splitter generates a current noise that we use to measure their number. Minimal-excitation states are observed for Lorentzian pulses, whereas for other pulse shapes there are significant contributions from holes. Further identification of levitons is provided in the energy domain with shot-noise spectroscopy, and in the time domain with electronic Hong-Ou-Mandel noise correlations. The latter, obtained by colliding synchronized levitons on a beam splitter, exemplifies the potential use of levitons for quantum information: using linear electron quantum optics in ballistic conductors, it is possible to imagine flying-qubit operation in which the Fermi statistics are exploited to entangle synchronized electrons emitted by distinct sources. Compared with electron sources based on quantum dots, the generation of levitons does not require delicate nanolithography, considerably simplifying the circuitry for scalability. Levitons are not limited to carrying a single charge, and so in a broader context n-particle levitons could find application in the study of full electron counting statistics. But they can also carry a fraction of charge if they are implemented in Luttinger liquids or in fractional quantum Hall edge channels; this allows the study of Abelian and non-Abelian quasiparticles in the

  19. Ultrafast excited state dynamics in 9,9'-bifluorenylidene.

    Science.gov (United States)

    Conyard, Jamie; Heisler, Ismael A; Browne, Wesley R; Feringa, Ben L; Amirjalayer, Saeed; Buma, Wybren Jan; Woutersen, Sander; Meech, Stephen R

    2014-08-07

    9,9'-Bifluorenylidene has been proposed as an alternative and flexible electron acceptor in organic photovoltaic cells. Here we characterize its excited state properties and photokinetics, combining ultrafast fluorescence and transient IR measurements with quantum chemical calculations. The fluorescence decay is ultrafast (sub-100 fs) and remarkably independent of viscosity. This suggests that large scale structure change is not the primary relaxation mode. The ultrafast decay populates a dark state characterized by distinct vibrational and electronic spectra. This state decays with a 6 ps time constant to a hot ground state that ultimately populates the initial state with a 20 ps time constant; these times are also insensitive to solvent viscosity. No metastable intermediate structures are resolved in the photocycle after population of the dark state. The implications of these results for the operation of 9,9'-bifluorenylidene as an electron acceptor and as a potential molecular switch are discussed.

  20. Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores

    OpenAIRE

    Veronica Vaida; Karl J. Feierabend; Nabilah Rontu; Kaito Takahashi

    2008-01-01

    Atmospheric chemical reactions are often initiated by ultraviolet (UV) solar radiation since absorption in that wavelength range coincides to typical chemical bond energies. In this review, we present an alternative process by which chemical reactions occur with the excitation of vibrational levels in the ground electronic state by red solar photons. We focus on the O–H vibrational manifold which can be an atmospheric chromophore for driving vibrationally mediated overtone-induced chemical re...

  1. Probing excited electronic states and ionisation mechanisms of fullerenes

    OpenAIRE

    Johansson, Olof; Campbell, Eleanor E. B.

    2013-01-01

    Fullerenes are interesting model systems for probing the complex, fundamental electron dynamics and ionisation mechanisms of large molecules and nanoparticles. In this Tutorial Review we explain how recent experimental and theoretical advances are providing insight into the interesting phenomenon of thermal electron emission from molecular systems and the properties of hydrogenic, diffuse, excited electronic states, known as superatom molecular orbitals, which are responsible for relatively s...

  2. Lifetimes of excited states in neutron-rich Xe isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Ilieva, Stoyanka; Kroell, Thorsten [Institut fuer Kernphysik, TU Darmstadt (Germany); Collaboration: EXILL-FATIMA-Collaboration

    2016-07-01

    The EXILL and FATIMA campaign at ILL, Grenoble is the first prompt-fission γ-ray spectroscopy experiment performed with a mixed array of Ge detectors (EXILL) and fast LaBr{sub 3}(Ce) scintillators (FATIMA). The lifetimes of excited states, populated by neutron-induced fission of {sup 235}U and {sup 241}Pu targets, were directly measured. The high-resolution EXILL detector gives us the possibility to identify the nuclides of interest among the large amount of produced fission fragments. Using the generalized centroid difference method to analyse the data from FATIMA we could measure lifetimes down to ∼ 10 ps. The lifetime of an excited state is a direct measure for the strength (collectivity) of a transition. The properties of the excited states in even-even nuclei can be largely described by quadrupole and octupole degrees of freedom. This contribution will present the current status of the analysis for the neutron-rich even-even {sup 138,140,142}Xe isotopes which lie in the vicinity of the double shell closure Z=50 and N=82. Through the direct lifetime measurement we aim to study the evolution of quadrupole and octupole collectivity above {sup 132}Sn.

  3. Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile

    Energy Technology Data Exchange (ETDEWEB)

    Kolesniková, L.; Alonso, E. R.; Mata, S.; Alonso, J. L. [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain)

    2017-04-01

    We report a detailed spectroscopic investigation of the interstellar aminoacetonitrile, a possible precursor molecule of glycine. Using a combination of Stark and frequency-modulation microwave and millimeter wave spectroscopies, we observed and analyzed the room-temperature rotational spectra of 29 excited states with energies up to 1000 cm{sup −1}. We also observed the {sup 13}C isotopologues in the ground vibrational state in natural abundance (1.1%). The extensive data set of more than 2000 new rotational transitions will support further identifications of aminoacetonitrile in the interstellar medium.

  4. Modular Hamiltonian for Excited States in Conformal Field Theory.

    Science.gov (United States)

    Lashkari, Nima

    2016-07-22

    We present a novel replica trick that computes the relative entropy of two arbitrary states in conformal field theory. Our replica trick is based on the analytic continuation of partition functions that break the Z_{n} replica symmetry. It provides a method for computing arbitrary matrix elements of the modular Hamiltonian corresponding to excited states in terms of correlation functions. We show that the quantum Fisher information in vacuum can be expressed in terms of two-point functions on the replica geometry. We perform sample calculations in two-dimensional conformal field theories.

  5. Calculations on the electronic excited states of ureas and oligoureas.

    Science.gov (United States)

    Oakley, Mark T; Guichard, Gilles; Hirst, Jonathan D

    2007-03-29

    We report CASPT2 calculations on the electronic excited states of several ureas. For monoureas, we find an electric dipole forbidden n --> pi* transition between 180 and 210 nm, dependent on the geometry and substituents of the urea. We find two intense pinb --> pi* transitions between 150 and 210 nm, which account for the absorptions seen in the experimental spectra. The n' --> pi* and pib --> pi* transitions are at wavelengths below 125 nm, which is below the lower limit of the experimental spectra. Parameter sets modeling the charge densities of the electronic transitions have been derived and permit calculations on larger oligoureas, using the exciton matrix method. For glycouril, a urea dimer, both the CASPT2 method and the matrix method yield similar results. Calculations of the electronic circular dichroism spectrum of an oligourea containing eight urea groups indicate that the experimental spectrum cannot be reproduced without the inclusion of electronic excitations involving the side chains. These calculations are one of the first attempts to understand the relationship between the structure and excited states of this class of macromolecule.

  6. Chemical modulation of electronic structure at the excited state

    Science.gov (United States)

    Li, F.; Song, C.; Gu, Y. D.; Saleem, M. S.; Pan, F.

    2017-12-01

    Spin-polarized electronic structures are the cornerstone of spintronics, and have thus attracted a significant amount of interest; in particular, researchers are looking into how to modulate the electronic structure to enable multifunctional spintronics applications, especially in half-metallic systems. However, the control of the spin polarization has only been predicted in limited two-dimensional systems with spin-polarized Dirac structures and is difficult to achieve experimentally. Here, we report the modulation of the electronic structure in the light-induced excited state in a typical half-metal, L a1 /2S r1 /2Mn O3 -δ . According to the spin-transport measurements, there appears a light-induced increase in magnetoresistance due to the enhanced spin scattering, which is closely associated with the excited spin polarization. Strikingly, the light-induced variation can be enhanced via alcohol processing and reduced by oxygen annealing. X-ray photoelectron spectroscopy measurements show that in the chemical process, a redox reaction occurs with a change in the valence of Mn. Furthermore, first-principles calculations reveal that the change in the valence of Mn alters the electronic structure and consequently modulates the spin polarization in the excited state. Our findings thus report a chemically tunable electronic structure, demonstrating interesting physics and the potential for multifunctional applications and ultrafast spintronics.

  7. Excited State Atom-Ion Charge-Exchange

    Science.gov (United States)

    Li, Ming; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana

    2017-04-01

    We theoretically investigate the exothermic charge-exchange reaction between an excited atom and a ground-state positive ion. In particular, we focus on MOT-excited Ca*(4s4p 1P) atoms colliding with ground-state Yb+ ions, which are under active study by the experimental group of E. Hudson at UCLA. Collisions between an excited atom and an ion are guided by two major contributions to the long-range interaction potentials, the induction C4 /R4 and charge-quadrupole C3 /R3 potentials, and their coupling by the electron-exchange interaction. Our model of these forces leads to close-coupling equations for multiple reaction channels. We find several avoided crossings between the potentials that couple to the nearby asymptotic limits of Yb*+Ca+, some of which can possibly provide large charge exchange rate coefficients above 10-10 cm3 / s. We acknowledge support from the US Army Research Office, MURI Grants W911NF-14-1-0378 and the US National Science Foundation, Grant PHY-1619788.

  8. High-energy excited states in {sup 98}Cd

    Energy Technology Data Exchange (ETDEWEB)

    Braun, Norbert; Blazhev, Andrey; Jolie, Jan [Institut fuer Kernphysik, Universitaet Koeln (Germany); Boutachkov, Plamen; Gorska, Magda; Grawe, Hubert; Pietri, Stephane [GSI, Darmstadt (Germany); Brock, Tim; Nara Singh, B.S.; Wadsworth, Robert [Department of Physics, University of York, York (United Kingdom); Liu, Zhong [University of Edinburgh, Edinburgh (United Kingdom)

    2009-07-01

    Studies of isomerism in the proton-rich N {approx_equal}Z nuclei around {sup 100}Sn give important insights into the role of proton-neutron pairing and also serve as testing grounds for nuclear models. In summer 2008, an experiment on {sup 96,97,98}Cd was performed using the FRS fragment separator and the RISING germanium array at GSI. These exotic nuclei of interest were produced using fragmentation of a 850 MeV/u {sup 124}Xe beam on a 4 g/cm{sup 2} {sup 9}Be target and finally implanted into an active stopper consisting of 9 double-sided silicon strip detectors. In {sup 98}Cd, a new high-energy isomeric transition was identified. Preliminary results on {sup 98}Cd are presented and their implications for the high-excitation level scheme are discussed.

  9. Excited states using semistochastic heat-bath configuration interaction

    Science.gov (United States)

    Holmes, Adam A.; Umrigar, C. J.; Sharma, Sandeep

    2017-10-01

    We extend our recently developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to calculate excited-state wavefunctions and energies. We employ time-reversal symmetry, which reduces the memory requirements by more than a factor of two. An extrapolation technique is introduced to reliably extrapolate HCI energies to the full CI limit. The resulting algorithm is used to compute fourteen low-lying potential energy surfaces of the carbon dimer using the cc-pV5Z basis set, with an estimated error in energy of 30-50 μHa compared to full CI. The excitation energies obtained using our algorithm have a mean absolute deviation of 0.02 eV compared to experimental values.

  10. Application of spectroscopy and super-resolution microscopy: Excited state

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharjee, Ujjal [Iowa State Univ., Ames, IA (United States)

    2016-02-19

    Photophysics of inorganic materials and organic molecules in complex systems have been extensively studied with absorption and emission spectroscopy.1-4 Steady-state and time-resolved fluorescence studies are commonly carried out to characterize excited-state properties of fluorophores. Although steady-state fluorescence measurements are widely used for analytical applications, time-resolved fluorescence measurements provide more detailed information about excited-state properties and the environment in the vicinity of the fluorophore. Many photophysical processes, such as photoinduced electron transfer (PET), rotational reorientation, solvent relaxation, and energy transfer, occur on a nanosecond (10-9 s) timescale, thus affecting the lifetime of the fluorophores. Moreover, time-resolved microscopy methods, such as lifetimeimaging, combine the benefits of the microscopic measurement and information-rich, timeresolved data. Thus, time-resolved fluorescence spectroscopy combined with microscopy can be used to quantify these processes and to obtain a deeper understanding of the chemical surroundings of the fluorophore in a small area under investigation. This thesis discusses various photophysical and super-resolution microscopic studies of organic and inorganic materials, which have been outlined below.

  11. Coherence, energy and charge transfers in de-excitation pathways of electronic excited state of biomolecules in photosynthesis

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F. Bary

    2013-01-01

    The observed multiple de-excitation pathways of photo-absorbed electronic excited state in the peridinin–chlorophyll complex, involving both energy and charge transfers among its constituents, are analyzed using the bio-Auger (B-A) theory. It is also shown that the usually used F¨orster–Dexter th...

  12. Modeling Electronic-Nuclear Interactions for Excitation Energy Transfer Processes in Light-Harvesting Complexes.

    Science.gov (United States)

    Lee, Mi Kyung; Coker, David F

    2016-08-18

    An accurate approach for computing intermolecular and intrachromophore contributions to spectral densities to describe the electronic-nuclear interactions relevant for modeling excitation energy transfer processes in light harvesting systems is presented. The approach is based on molecular dynamics (MD) calculations of classical correlation functions of long-range contributions to excitation energy fluctuations and a separate harmonic analysis and single-point gradient quantum calculations for electron-intrachromophore vibrational couplings. A simple model is also presented that enables detailed analysis of the shortcomings of standard MD-based excitation energy fluctuation correlation function approaches. The method introduced here avoids these problems, and its reliability is demonstrated in accurate predictions for bacteriochlorophyll molecules in the Fenna-Matthews-Olson pigment-protein complex, where excellent agreement with experimental spectral densities is found. This efficient approach can provide instantaneous spectral densities for treating the influence of fluctuations in environmental dissipation on fast electronic relaxation.

  13. Laguerre polynomial excited coherent state: generation and nonclassical properties

    Science.gov (United States)

    Ye, Wei; Zhou, Weidong; Zhang, Haoliang; Liu, Cunjin; Huang, Jiehui; Hu, Liyun

    2017-11-01

    We propose a theoretical protocol to generate a kind of non-Gaussian state—a Laguerre polynomial excited coherent state (LPECS) by exploiting a two-mode squeezing transformation and a conditional measurement with a coherent state input. Then we investigate the nonclassical features of the LPECS according to the Glauber-Sudarshan P(α ) function, photon number distribution, Mandel’s Q parameter, second-order correlation function, and squeezing properties as well as negative Wigner distribution. Our results show that the generated output state presents obvious nonclassical properties which can be modulated by a coherent amplitude, a squeezing parameter and a conditional measurement. In particular, the squeezing and negative Wigner function are clear.

  14. Excited state mass spectra of doubly heavy Ξ baryons

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Zalak; Rai, Ajay Kumar [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India)

    2017-02-15

    In this paper, the mass spectra are obtained for doubly heavy Ξ baryons, namely, Ξ{sub cc}{sup +}, Ξ{sub cc}{sup ++}, Ξ{sub bb}{sup -}, Ξ{sub bb}{sup 0}, Ξ{sub bc}{sup 0} and Ξ{sub bc}{sup +}. These baryons consist of two heavy quarks (cc, bb, and bc) with a light (d or u) quark. The ground, radial, and orbital states are calculated in the framework of the hypercentral constituent quark model with Coulomb plus linear potential. Our results are also compared with other predictions, thus, the average possible range of excited states masses of these Ξ baryons can be determined. The study of the Regge trajectories is performed in (n, M{sup 2}) and (J, M{sup 2}) planes and their slopes and intercepts are also determined. Lastly, the ground state magnetic moments of these doubly heavy baryons are also calculated. (orig.)

  15. Excited-State Dynamics of Oxyluciferin in Firefly Luciferase.

    Science.gov (United States)

    Snellenburg, Joris J; Laptenok, Sergey P; DeSa, Richard J; Naumov, Panče; Solntsev, Kyril M

    2016-12-21

    The color variations of light emitted by some natural and mutant luciferases are normally attributed to collective factors referred to as microenvironment effects; however, the exact nature of these interactions between the emitting molecule (oxyluciferin) and the active site remains elusive. Although model studies of noncomplexed oxyluciferin and its variants have greatly advanced the understanding of its photochemistry, extrapolation of the conclusions to the real system requires assumptions about the polarity and proticity of the active site. To decipher the intricate excited-state dynamics, global and target analysis is performed here for the first time on the steady-state and time-resolved spectra of firefly oxyluciferin complexed with luciferase from the Japanese firefly (Luciola cruciata). The experimental steady-state and time-resolved luminescence spectra of the oxyluciferin/luciferase complex in solution are compared with the broadband time-resolved firefly bioluminescence recorded in vivo. The results demonstrate that de-excitation of the luminophore results in a complex cascade of photoinduced proton transfer processes and can be interpreted by the pH dependence of the emitted light. It is confirmed that proton transfer is the central event in the spectrochemistry of this system for which any assignment of the pH-dependent emission to a single chemical species would be an oversimplification.

  16. Excited-State Dynamics of Oxyluciferin in Firefly Luciferase

    KAUST Repository

    Snellenburg, Joris J.

    2016-11-23

    The color variations of light emitted by some natural and mutant luciferases are normally attributed to collective factors referred to as microenvironment effects; however, the exact nature of these interactions between the emitting molecule (oxyluciferin) and the active site remains elusive. Although model studies of noncomplexed oxyluciferin and its variants have greatly advanced the understanding of its photochemistry, extrapolation of the conclusions to the real system requires assumptions about the polarity and proticity of the active site. To decipher the intricate excited-state dynamics, global and target analysis is performed here for the first time on the steady-state and time-resolved spectra of firefly oxyluciferin complexed with luciferase from the Japanese firefly (Luciola cruciata). The experimental steady-state and time resolved luminescence spectra of the oxyluciferin/luciferase complex in solution are compared with the broadband time-resolved firefly bioluminescence recorded in vivo. The results demonstrate that de-excitation of the luminophore results in a complex cascade of photoinduced proton transfer processes and can be interpreted by the pH dependence of the emitted light. It is confirmed that proton transfer is the central event in the spectrochemistry of this system for which any assignment of the pH dependent emission to a single chemical species would be an oversimplification.

  17. Probing excited electronic states and ionisation mechanisms of fullerenes.

    Science.gov (United States)

    Johansson, J Olof; Campbell, Eleanor E B

    2013-07-07

    Fullerenes are interesting model systems for probing the complex, fundamental electron dynamics and ionisation mechanisms of large molecules and nanoparticles. In this Tutorial Review we explain how recent experimental and theoretical advances are providing insight into the interesting phenomenon of thermal electron emission from molecular systems and the properties of hydrogenic, diffuse, excited electronic states, known as superatom molecular orbitals, which are responsible for relatively simple, well-resolved structure in fs laser photoelectron spectra of fullerenes. We focus on the application of velocity map imaging combined with fs laser photoionisation to study angular-resolved photoelectron emission.

  18. Triaxiality near the 110Ru ground state from Coulomb excitation

    Directory of Open Access Journals (Sweden)

    D.T. Doherty

    2017-03-01

    Full Text Available A multi-step Coulomb excitation measurement with the GRETINA and CHICO2 detector arrays was carried out with a 430-MeV beam of the neutron-rich 110Ru (t1/2=12 s isotope produced at the CARIBU facility. This represents the first successful measurement following the post-acceleration of an unstable isotope of a refractory element. The reduced transition probabilities obtained for levels near the ground state provide strong evidence for a triaxial shape; a conclusion confirmed by comparisons with the results of beyond-mean-field and triaxial rotor model calculations.

  19. State of art of nuclear telerobots

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Ji Sup; Oh, S. C.; Park, Y. S.; Kim, K. S

    1997-03-01

    A state-of-the-art survey on telerobotics technology for nuclear applications is made with view to provide technical data base to interested users. Most of the information are gathered from G7 countries with some addition of Korean status of development. Although the bulk of information is focussed on mobile robots, graphic simulation for man-machine interface is also included in the survey. Examples of telerobotics application to nuclear work are investigated. (author). 108 refs., 9 tabs., 64 figs

  20. Laser excitation of 8-eV electronic states in Th{sup +}. A first pillar of the electronic bridge toward excitation of the Th-229 nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Herrera-Sancho, Oscar-Andrey

    2012-11-23

    The possibility to realize a nuclear clock based on the optical magnetic dipole transition from the ground state to the low-energy isomeric state in the {sup 229}Th nucleus has motivated experiments and proposals toward highly accurate clocks with trapped ions and highly stable optical frequency standards with Th-doped solids. These systems hold great promise to open a field of research in the borderland between atomic and nuclear physics, which will enable highly sensitive tests of postulates from fundamental physics and also will allow us to coherently excite and control nuclear states, opening a wonderful and intriguing new field in physics. A major experimental obstacle that has to be overcome before any precision spectroscopy can be performed with this system is however the insufficient knowledge on the exact transition energy. The best experimental result so far is an indirect determination from {gamma}-spectroscopy with a relative uncertainty of about 6%. To facilitate the search for the nuclear transition within a wide uncertainty range around 8 eV, we investigate two-photon excitation in the dense electronic level structure of Th{sup +}, which enables the nuclear excitation via a resonantly enhanced inverse electronic bridge process. Experiments on one- and two-photon laser excitation of buffer gas cooled {sup 232}Th{sup +} ions in a radio-frequency ion trap are reported in this thesis. The strongest resonance line at 402 nm from the (6d{sup 2}7s)J=3/2 ground state to the (6d7s7p)J=5/2 state is driven as the first excitation step. Using nanosecond laser pulses in the 250-nm wavelength range for the second step of a two-photon excitation, we have observed seven previously unknown levels in the unexplored region of the electronic level structure around 8 eV. This investigation shows that the Th{sup +} ion seems to be well suited for the search of the isomer transition because both, theory and experimental results, agree on the density of strong transitions

  1. Observation of interference effects via four photon excitation of highly excited Rydberg states in thermal cesium vapor

    CERN Document Server

    Kondo, Jorge M; Guttridge, Alex; Wade, Christopher G; De Melo, Natalia R; Adams, Charles S; Weatherill, Kevin J

    2015-01-01

    We report on the observation of Electromagnetically Induced Transparency (EIT) and Absorption (EIA) of highly-excited Rydberg states in thermal Cs vapor using a 4-step excitation scheme. The advantage of this 4-step scheme is that the final transition to the Rydberg state has a large dipole moment and one can achieve similar Rabi frequencies to 2 or 3 step excitation schemes using two orders of magnitude less laser power. Consequently each step is driven by a relatively low power infra-red diode laser opening up the prospect for new applications. The observed lineshapes are in good agreement with simulations based on multilevel optical Bloch equations.

  2. A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

    Energy Technology Data Exchange (ETDEWEB)

    Egidi, Franco, E-mail: franco.egidi@sns.it; Segado, Mireia; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it [Scuola Normale Superiore, Piazza dei Cavalieri, 7 I-56126 Pisa (Italy); Koch, Henrik [Department of Chemistry, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Cappelli, Chiara [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via G. Moruzzi, 3 I-56124 Pisa (Italy)

    2014-12-14

    In this work, we report a comparative study of computed excitation energies, oscillator strengths, and excited-state energy gradients of (S)-nicotine, chosen as a test case, using multireference methods, coupled cluster singles and doubles, and methods based on time-dependent density functional theory. This system was chosen because its apparent simplicity hides a complex electronic structure, as several different types of valence excitations are possible, including n-π{sup *}, π-π{sup *}, and charge-transfer states, and in order to simulate its spectrum it is necessary to describe all of them consistently well by the chosen method.

  3. The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States

    Science.gov (United States)

    Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago

    2017-06-01

    The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).

  4. Excited state mass spectra of singly charmed baryons

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Zalak; Kumar Rai, Ajay [Sardar Vallabhbhai National Institute of Technology, Department of Applied Physics, Surat, Gujarat (India); Thakkar, Kaushal [GIDC Degree Engineering College, Department of Applied Sciences and Humanities, Abrama (India); Vinodkumar, P.C. [Sardar Patel University, Department of Physics, V.V. Nagar (India)

    2016-10-15

    Mass spectra of excited states of the singly charmed baryons are calculated using the hypercentral description of the three-body system. The baryons consist of a charm quark and light quarks (u, d and s) are studied in the framework of QCD motivated constituent quark model. The form of the confinement potential is hyper-Coloumb plus power potential with potential index ν, varying from 0.5 to 2.0. The first-order correction to the confinement potential is also incorporated in this approach. The radial as well as orbital excited state masses of Σ{sub c}{sup ++}, Σ{sub c}{sup +}, Σ{sub c}{sup 0}, Ξ{sub c}{sup +}, Ξ{sub c}{sup 0}, Λ{sub c}{sup +}, Ω{sub c}{sup 0} baryons, are reported in this paper. We have incorporated spin-spin, spin-orbit and tensor interactions perturbatively in the present study. The semi-electronic decay of Ω{sub c} and Ξ{sub c} are also calculated using the spectroscopic parameters of these baryons. The computed results are compared with other theoretical predictions as well as with the available experimental observations. We also construct the Regge trajectory in (n{sub r},M{sup 2}) and (J,M{sup 2}) planes for these baryons. (orig.)

  5. Probing the Locality of Excited States with Linear Algebra.

    Science.gov (United States)

    Etienne, Thibaud

    2015-04-14

    This article reports a novel theoretical approach related to the analysis of molecular excited states. The strategy introduced here involves gathering two pieces of physical information, coming from Hilbert and direct space operations, into a general, unique quantum mechanical descriptor of electronic transitions' locality. Moreover, the projection of Hilbert and direct space-derived indices in an Argand plane delivers a straightforward way to visually probe the ability of a dye to undergo a long- or short-range charge-transfer. This information can be applied, for instance, to the analysis of the electronic response of families of dyes to light absorption by unveiling the trend of a given push-pull chromophore to increase the electronic cloud polarization magnitude of its main transition with respect to the size extension of its conjugated spacer. We finally demonstrate that all the quantities reported in this article can be reliably approximated by a linear algebraic derivation, based on the contraction of detachment/attachment density matrices from canonical to atomic space. This alternative derivation has the remarkable advantage of a very low computational cost with respect to the previously used numerical integrations, making fast and accurate characterization of large molecular systems' excited states easily affordable.

  6. Unbound excited states in $^{19}$,$^{17}$C

    CERN Document Server

    Satou, Y; Fukuda, N; Sugimoto, T; Kondo, Y; Matsui, N; Hashimoto, Y; Nakabayashi, T; Okumura, T; Shinohara, M; Motobayashi, T; Yanagisawa, Y; Aoi, N; Takeuchi, S; Gomi, T; Togano, Y; Kawai, S; Sakuraï, H; Ong, H J; Onishi, T K; Shimoura, S; Tamaki, M; Kobayashi, T; Otsu, H; Matsuda, Y; Endo, N; Kitayama, M; Ishihara, M

    2008-01-01

    The neutron-rich carbon isotopes 19,17C have been investigated via proton inelastic scattering on a liquid hydrogen target at 70 MeV/nucleon. The invariant mass method in inverse kinematics was employed to reconstruct the energy spectrum, in which fast neutrons and charged fragments were detected in coincidence using a neutron hodoscope and a dipole magnet system. A peak has been observed with an excitation energy of 1.46(10) MeV in 19C, while three peaks with energies of 2.20(3), 3.05(3), and 6.13(9) MeV have been observed in 17C. Deduced cross sections are compared with microscopic DWBA calculations based on p-sd shell model wave functions and modern nucleon-nucleus optical potentials. Jpi assignments are made for the four observed states as well as the ground states of both nuclei.

  7. Trapped electronic states in YAG crystal excited by femtosecond radiation

    Energy Technology Data Exchange (ETDEWEB)

    Zavedeev, E.V.; Kononenko, V.V.; Konov, V.I. [General Physics Institute of RAS, Moscow (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2017-07-15

    The excitation of an electronic subsystem of an yttrium aluminum garnet by 800 nm femtosecond radiation was studied theoretically and experimentally. The spatio-temporal dynamics of the refractive index (n) inside the beam waist was explored by means of the pump-probe interferometric technique with a submicron resolution. The observed increase in n indicated the formation of bound electronic states relaxed for ∝ 150 ps. We showed that the experimental data agreed with the computational simulation based on the numerical solution of the nonlinear Schroedinger equation only if these transient states were considered to arise from a direct light-induced process but not from the decay of radiatively generated free-electron-hole pairs. (orig.)

  8. K- nuclear states: Binding energies and widths

    Science.gov (United States)

    Hrtánková, J.; Mareš, J.

    2017-07-01

    K- optical potentials relevant to calculations of K- nuclear quasibound states were developed within several chiral meson-baryon coupled-channels interaction models. The applied models yield quite different K- binding energies and widths. Then the K- multinucleon interactions were incorporated by a phenomenological optical potential fitted recently to kaonic atom data. Though the applied K- interaction models differ significantly in the K-N subthreshold region, our self-consistent calculations of kaonic nuclei across the periodic table lead to conclusions valid quite generally. Due to K- multinucleon absorption in the nuclear medium, the calculated widths of K- nuclear states are sizable, ΓK-≥90 MeV, and exceed substantially their binding energies in all considered nuclei.

  9. Probing nuclear shell structure beyond the N=40 subshell using multiple Coulomb excitation and transfer experiments

    Energy Technology Data Exchange (ETDEWEB)

    Hellgartner, Stefanie Christine

    2015-11-13

    In this work, the N=40 subshell closure is investigated with two complementary methods using a radioactive {sup 72}Zn ISOLDE beam: One- and two-neutron transfer reactions and multiple Coulomb excitation. In the one-neutron transfer reaction, two new levels of {sup 73}Zn were discovered. The two-neutron transfer channel allowed to study the differential cross section of the ground state and the 2{sup +}{sub 1} state of {sup 74}Zn. In the Coulomb excitation experiment, the measured B(E2) values and quadrupole moments of {sup 72}Zn showed that the yrast states 0{sup +}{sub 1}, 2{sup +}{sub 1} and 4{sup +}{sub 1} are moderately collective. Contrary, the 0{sup +}{sub 2} state has a different structure, since it features a stronger closed N=40 configuration compared to the ground state.

  10. Excited-state Raman spectroscopy with and without actinic excitation: S{sub 1} Raman spectra of trans-azobenzene

    Energy Technology Data Exchange (ETDEWEB)

    Dobryakov, A. L.; Quick, M.; Ioffe, I. N.; Granovsky, A. A.; Ernsting, N. P.; Kovalenko, S. A. [Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, D-12489 Berlin (Germany)

    2014-05-14

    We show that femtosecond stimulated Raman spectroscopy can record excited-state spectra in the absence of actinic excitation, if the Raman pump is in resonance with an electronic transition. The approach is illustrated by recording S{sub 1} and S{sub 0} spectra of trans-azobenzene in n-hexane. The S{sub 1} spectra were also measured conventionally, upon nπ* (S{sub 0} → S{sub 1}) actinic excitation. The results are discussed and compared to earlier reports.

  11. Excited state mass spectra and Regge trajectories of bottom baryons

    Science.gov (United States)

    Thakkar, Kaushal; Shah, Zalak; Rai, Ajay Kumar; C. Vinodkumar, P.

    2017-09-01

    We present the mass spectra of radial and orbital excited states of singly heavy bottom baryons; Σb+, Σb-, Ξb-, Ξb0, Λb0 and Ωb-. The QCD motivated hypercentral quark model is employed for the three body description of baryons and the form of confinement potential is hyper Coulomb plus linear. The first order correction to the confinement potential is also incorporated in this work. The semi-electronic decay of Ωb and Ξb are calculated using the spectroscopic parameters of the baryons. The computed results are compared with other theoretical predictions as well as with the available experimental observations. The Regge trajectories are plotted in (n ,M2) plane.

  12. Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores

    Directory of Open Access Journals (Sweden)

    Veronica Vaida

    2008-01-01

    Full Text Available Atmospheric chemical reactions are often initiated by ultraviolet (UV solar radiation since absorption in that wavelength range coincides to typical chemical bond energies. In this review, we present an alternative process by which chemical reactions occur with the excitation of vibrational levels in the ground electronic state by red solar photons. We focus on the O–H vibrational manifold which can be an atmospheric chromophore for driving vibrationally mediated overtone-induced chemical reactions. Experimental and theoretical O–H intensities of several carboxylic acids, alcohols, and peroxides are presented. The importance of combination bands in spectra at chemically relevant energies is examined in the context of atmospheric photochemistry. Candidate systems for overtone-initiated chemistry are provided, and their lowest energy barrier for reaction and the minimum quanta of O–H stretch required for reaction are calculated. We conclude with a discussion of the major pathways available for overtone-induced reactions in the atmosphere.

  13. Coherent secondary emission from resonantly excited two-exciton states

    DEFF Research Database (Denmark)

    Birkedal, Dan

    2000-01-01

    The coherent interaction of light and the electronic states of semiconductors near the fundamental bandgap has been a very active topic of research since the advent of ultrafast lasers. While many of the ultrafast nonlinear properties of semiconductors have been well explained within mean field...... to the nonlinear susceptibility. The method exploits that emission from two-exciton coherences can occur in non-specular directions, with the recoil momentum taken up by an exciton left behind in the sample. Using ultrafast spectral interferometry we demonstrate the presence of this new coherent component...... of the secondary emission from quantum wells following ultrafast resonant excitation and find that it provides information on not only the bound biexcitons but also the biexciton continuum. Due to the heterodyne nature of the experimental technique we obtain both amplitude and phase of the coherent emission...

  14. Localized states of kaons in nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Kurilkin, N.N.; Khodel' , V.A.

    1988-01-01

    We analyze the hypothesis of localization of kaon wave packets in nuclear reactions induced by K/sup +/ and K/sup 0/ mesons. We discuss experimental possibilities of discovery of localized kaon states in real nuclei: in subthreshold kaon production and also in the study of kaon decays in matter.

  15. Using Diffusion Monte Carlo to Probe Rotational Excited States

    Science.gov (United States)

    Petit, Andrew S.; McCoy, Anne B.

    2009-06-01

    Since its inception in 1975 by Anderson, has been successfully applied to a wide range of electronic and vibrational problems. In the latter case, it has been shown to be a powerful method for studying highly fluxional systems exhibiting large amplitude vibrational motions. We report here our recent work developing a new DMC algorithm capable of treating rotational excited states. We first develop the appropriate coordinates, nodal structures, and re-crossing corrections for this problem. Then, using H_3O^+ and D_3O^+ as model systems, we show that our method can successfully describe a range of rotational states from mid0,0,0> to {1}/{√{2}} (mid10,10,0 > + mid 10,-10,0 >). In particular, we examine the combined effects of rotational and zero-point vibrational motion on the geometric structure of the molecules. Finally, we find the mid 10,0,0 > state to be somewhat problematic but show that the problem is straightforward to identify and has a well-defined solution. J. B. Anderson, J. Chem. Phys., 63, 1499 (1975). X. Huang, S. Carter, and J. Bowman, J. Chem. Phys., 118, 5431 (2003).

  16. Enhanced negative ion formation via electron attachment to electronically-excited states

    Energy Technology Data Exchange (ETDEWEB)

    Pinnaduwage, L.A. [Oak Ridge National Lab., TN (United States). Health Sciences Research Div.]|[Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics

    1995-12-31

    Recent basic studies on electron attachment to laser-excited molecules show that electron attachment to electronically-excited states can have orders of magnitude larger cross sections compared to the respective ground electronic states. Even though systematic studies have not been conducted, there are indications that electronically-excited states may play a significant role in negative ion formation in gas discharges. The high-lying Rydberg states could be of particular significance since, (i) their production efficiencies are high, and (ii) they have comparatively long lifetimes. Such states could be populated in discharge sources via direct electron impact or via excitation transfer from metastable states of inert gases.

  17. Exciting hot carrier to a high energy state by impact excitation in low density nanocrystalline Si films

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Wei, E-mail: yuwei_hbu@126.com [College of Physics Science and Technology, Hebei University, Baoding 071002 (China); Wang, Xinzhan; Dai, Wanlei; Liu, Yumei; Xu, Yanmei; Lu, Wanbing; Fu, Guangsheng [College of Physics Science and Technology, Hebei University, Baoding 071002 (China)

    2013-02-15

    The carrier recombination processes in low density nanocrystalline (nc-) Si films have been studied by steady and time-resolved photoluminescence (PL) spectra, and the hot carriers have been excited to a high energy state by impact excitation. A yellow-green PL band locating at 580 nm appears when the studied film is excited by two optical beams. The yellow-green PL band results from band-to-band transition in Si nanocrystals with double-bonded oxygen atoms, which is caused by impact excitation among the carriers in the nc-Si film. The decay time of the yellow-green PL band is 230 ns, which is much longer than the hot carrier cooling. The results indicate that the lost energy in the solar cell may be collected from the new recombination center in the further structural design.

  18. Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Kjær, Kasper Skov; Alonso-Mori, Roberto

    2017-01-01

    state lifetime of iron based complexes due to spin crossover-the extremely fast intersystem crossing and internal conversion to high spin metal-centered excited states. We revitalize a 30 year old synthetic strategy for extending the MLCT excited state lifetimes of iron complexes by making mixed ligand...... iron complexes with four cyanide (CN-;) ligands and one 2,2′-bipyridine (bpy) ligand. This enables MLCT excited state and metal-centered excited state energies to be manipulated with partial independence and provides a path to suppressing spin crossover. We have combined X-ray Free-Electron Laser (XFEL......) Kβ hard X-ray fluorescence spectroscopy with femtosecond time-resolved UV-visible absorption spectroscopy to characterize the electronic excited state dynamics initiated by MLCT excitation of [Fe(CN)4(bpy)]2-. The two experimental techniques are highly complementary; the time-resolved UV...

  19. TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: key role of the excited-state hydrogen-bond strengthening.

    Science.gov (United States)

    Lan, Sheng-Cheng; Liu, Yu-Hui

    2015-03-15

    Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been employed to study the excited-state intramolecular proton transfer (ESIPT) reaction of 8-hydroxyquinoline (8HQ). Infrared spectra of 8HQ in both the ground and the lowest singlet excited states have been calculated, revealing a red-shift of the hydroxyl group (-OH) stretching band in the excited state. Hence, the intramolecular hydrogen bond (O-H···N) in 8HQ would be significantly strengthened upon photo-excitation to the S1 state. As the intramolecular proton-transfer reaction occurs through hydrogen bonding, the ESIPT reaction of 8HQ is effectively facilitated by strengthening of the electronic excited-state hydrogen bond (O-H···N). As a result, the intramolecular proton-transfer reaction would occur on an ultrafast timescale with a negligible barrier in the calculated potential energy curve for the ESIPT reaction. Therefore, although the intramolecular proton-transfer reaction is not favorable in the ground state, the ESIPT process is feasible in the excited state. Finally, we have identified that radiationless deactivation via internal conversion (IC) becomes the main dissipative channel for 8HQ by analyzing the energy gaps between the S1 and S0 states for the enol and keto forms. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Thermodynamical analysis of spin-state transitions in LaCo O3 : Negative energy of mixing to assist thermal excitation to the high-spin excited state

    Science.gov (United States)

    Kyômen, Tôru; Asaka, Yoshinori; Itoh, Mitsuru

    2005-01-01

    Magnetic susceptibility and heat capacity due to the spin-state transition in LaCoO3 were calculated by a molecular-field model in which the energy-level diagram of high-spin state reported by Ropka and Radwanski [Phys. Rev. B 67, 172401 (2003)] is assumed for the excited state, and the energy and entropy of mixing of high-spin Co ions and low-spin Co ions are introduced phenomenologically. The experimental data below 300K were well reproduced by this model, which proposes that the high-spin excited state can be populated even if the energy of high-spin state is much larger than that of low-spin state, because the negatively large energy of mixing reduces the net excitation energy. The stability of each spin state including the intermediate-spin state is discussed based on the present results and other reports.

  1. Studies of photoionization processes from ground-state and excited-state atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Ederer, D.L.; Parr, A.C.; West, J.B.

    1982-01-01

    Recent triply-differential photoelectron spectroscopy experiments designed for the study of correlation effects in atoms and molecules are described. Final-state symmetry of the n=2 state of helium has been determined. The non-Franck-Condon behavior of vibrational branching ratios and large variations of the angular asymmetry parameter has been observed for shape resonances and autoionizing resonances in CO and other molecules. Recent observations of the photoionization of excited sodium atoms are also described.

  2. A Simple Hubbard Model for the Excited States of $\\pi$ Conjugated -acene Molecules

    CERN Document Server

    Sadeq, Z S

    2015-01-01

    In this paper we present a model that elucidates in a simple way the electronic excited states of $\\pi$ conjugated -acene molecules such as tetracene, pentacene, and hexacene. We use a tight-binding and truncated Hubbard model written in the electron-hole basis to describe the low lying excitations with reasonable quantitative accuracy. We are able to produce semi-analytic wavefunctions for the electronic states of the system, which allows us to compute the density correlation functions for various states such as the ground state, the first two singly excited states, and the lowest lying doubly excited state. We show that in this lowest lying doubly excited state, a state which has been speculated as to being involved in the singlet fission process, the electrons and holes behave in a triplet like manner.

  3. Interference through the resonant Auger process via multiple core-excited states

    Science.gov (United States)

    Chatterjee, Souvik; Nakajima, Takashi

    2017-12-01

    We theoretically investigate the resonant Auger process via multiple core-excited states. The presence of multiple core-excited states sets off interference into the common final continuum, and we show that the degree of interference depends on the various parameters such as the intensity of the employed x-ray pulse and the lifetimes of the core-excited states. For the specific examples we employ the double (1 s-13 p and 1 s-14 p ) core-excited states of Ne atom and numerically solve the time-dependent Schrödinger equation to demonstrate that the energy-resolved electron spectra clearly exhibit the signature of interference.

  4. Probing an Excited-State Atomic Transition Using Hyperfine Quantum Beat Spectroscopy

    CERN Document Server

    Wade, Christopher G; Keaveney, James; Adams, Charles S; Weatherill, Kevin J

    2014-01-01

    We describe a method to observe the dynamics of an excited-state transition in a room temperature atomic vapor using hyperfine quantum beats. Our experiment using cesium atoms consists of a pulsed excitation of the D2 transition, and continuous-wave driving of an excited-state transition from the 6P$_{3/2}$ state to the 7S$_{1/2}$ state. We observe quantum beats in the fluorescence from the 6P$_{3/2}$ state which are modified by the driving of the excited-state transition. The Fourier spectrum of the beat signal yields evidence of Autler-Townes splitting of the 6P$_{3/2}$, F = 5 hyperfine level and Rabi oscillations on the excited-state transition. A detailed model provides qualitative agreement with the data, giving insight to the physical processes involved.

  5. Interplay between singlet and triplet excited states in a conformationally locked donor–acceptor dyad

    KAUST Repository

    Filatov, Mikhail A.

    2015-10-13

    The synthesis and photophysical characterization of a palladium(II) porphyrin – anthracene dyad bridged via short and conformationally rigid bicyclo[2.2.2]octadiene spacer were achieved. A spectroscopic investigation of the prepared molecule in solution has been undertaken to study electronic energy transfer in excited singlet and triplet states between the anthracene and porphyrin units. By using steady-state and time-resolved photoluminescence spectroscopy it was shown that excitation of the singlet excited state of the anthracene leads to energy transfer to the lower-lying singlet state of porphyrin. Alternatively, excitation of the porphyrin followed by intersystem crossing to the triplet state leads to very fast energy transfer to the triplet state of anthracene. The rate of this energy transfer has been determined by transient absorption spectroscopy. Comparative studies of the dynamics of triplet excited states of the dyad and reference palladium octaethylporphyrin (PdOEP) have been performed.

  6. Isoscalar and Isovector Longitudinal Quadruple Nuclear Excitation in sup 1 2 sup C

    CERN Document Server

    Radhi, R; Saleh, S

    2002-01-01

    Large basis space wave functions have been used to calculate the longitudinal from factors the excitations of the isoscalar and isovector 2 sub 1 sup + states in sup 1 sup 2 C. The experimental data are very well explained with the large basis space (1p+2p) wave function when effective charges are used to account for the core polarization effects. Harmonic oscillator wave function are used for the single-particle states with high length parameter chosen to reproduce the measured root mean square charge radius . (authors) 9 refs., 3 figs.

  7. Observation of abnormally large radii of nuclei in excited states in the vicinity of neutron thresholds

    Energy Technology Data Exchange (ETDEWEB)

    Ogloblin, A. A., E-mail: ogloblina@bk.ru; Danilov, A. N. [Russian Research Centre Kurchatov Institute (Russian Federation); Belyaeva, T. L. [Universidad Nacional Autonoma de Mexico (UNAM) (Mexico); Demyanova, A. S. [Russian Research Centre Kurchatov Institute (Russian Federation); Goncharov, S. A. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation); Trzaska, W. [University of Jyvaeskylae (Finland)

    2011-11-15

    Differential cross sections for inelastic scattering leading to the excitation of some nuclear states situated near neutron-emission thresholds were analyzed. With the aid of a modified diffraction model, abnormally large radii were found for the 1/2{sub 1}{sup +} state of the {sup 13}C nucleus at 3.09 MeV, for the first levels of positive-parity rotational bands in the {sup 9}Be (1/2{sup +} level at 1.68 MeV and 5/2{sup +} level at 3.05 MeV) and {sup 11}Be (5/2{sup +} level at 1.78 MeV and 3/2{sup +} level at 3.41 MeV) nuclei, and for the 2{sub 1}{sup +} state of the {sup 14}Be nucleus at 1.54 MeV and 1{sub 1}{sup -} state of the {sup 12}Be nucleus at 2.7 MeV. All of these states possess signatures typical of neutron halos.

  8. Two-photon excitation with pico-second fluorescence lifetime imaging to detect nuclear association of flavanols

    Energy Technology Data Exchange (ETDEWEB)

    Mueller-Harvey, Irene, E-mail: i.mueller-harvey@reading.ac.uk [Chemistry and Biochemistry Laboratory, Food Production and Quality Research Division, School of Agriculture, Policy and Development, University of Reading, P O Box 236, Reading RG6 6AT (United Kingdom); Feucht, Walter, E-mail: walter.feucht@gmail.com [Department of Plant Sciences, Technical University of Munich (TUM), Wissenschaftszentrum Weihenstephan (WZW), D-85354 Freising (Germany); Polster, Juergen, E-mail: j.polster@wzw.tum.de [Department of Physical Biochemistry, Technical University of Munich (TUM), Wissenschaftszentrum Weihenstephan (WZW), D-85354 Freising (Germany); Trnkova, Lucie, E-mail: lucie.trnkova@uhk.cz [University of Hradec Kralove, Faculty of Science, Department of Chemistry, Rokitanskeho 62, 50003 Hradec Kralove (Czech Republic); Burgos, Pierre, E-mail: pierre.burgos@stfc.ac.uk [Central Laser Facility, Research Complex at Harwell, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell-Oxford, Didcot, Oxfordshire, OX11 0QX (United Kingdom); Parker, Anthony W., E-mail: tony.parker@stfc.ac.uk [Central Laser Facility, Research Complex at Harwell, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell-Oxford, Didcot, Oxfordshire, OX11 0QX (United Kingdom); Botchway, Stanley W., E-mail: stan.botchway@stfc.ac.uk [Central Laser Facility, Research Complex at Harwell, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell-Oxford, Didcot, Oxfordshire, OX11 0QX (United Kingdom)

    2012-03-16

    Highlights: Black-Right-Pointing-Pointer This fluorescence lifetime imaging microscopy (FLIM) technique for flavanols overcomes autofluorescence interference in cells. Black-Right-Pointing-Pointer Plant flavanols differed in their lifetimes. Black-Right-Pointing-Pointer Dissolved and bound flavanols revealed contrasting lifetime changes. Black-Right-Pointing-Pointer This technique will allow studying of flavanol trafficking in live cells. - Abstract: Two-photon excitation enabled for the first time the observation and measurement of excited state fluorescence lifetimes from three flavanols in solution, which were {approx}1.0 ns for catechin and epicatechin, but <45 ps for epigallocatechin gallate (EGCG). The shorter lifetime for EGCG is in line with a lower fluorescence quantum yield of 0.003 compared to catechin (0.015) and epicatechin (0.018). In vivo experiments with onion cells demonstrated that tryptophan and quercetin, which tend to be major contributors of background fluorescence in plant cells, have sufficiently low cross sections for two-photon excitation at 630 nm and therefore do not interfere with detection of externally added or endogenous flavanols in Allium cepa or Taxus baccata cells. Applying two-photon excitation to flavanols enabled 3-D fluorescence lifetime imaging microscopy and showed that added EGCG penetrated the whole nucleus of onion cells. Interestingly, EGCG and catechin showed different lifetime behaviour when bound to the nucleus: EGCG lifetime increased from <45 to 200 ps, whilst catechin lifetime decreased from 1.0 ns to 500 ps. Semi-quantitative measurements revealed that the relative ratios of EGCG concentrations in nucleoli associated vesicles: nucleus: cytoplasm were ca. 100:10:1. Solution experiments with catechin, epicatechin and histone proteins provided preliminary evidence, via the appearance of a second lifetime ({tau}{sub 2} = 1.9-3.1 ns), that both flavanols may be interacting with histone proteins. We conclude that there

  9. Preparations for an optical access to the lowest nuclear excitation in {sup 229}Th

    Energy Technology Data Exchange (ETDEWEB)

    Wense, Lars v.d.; Seiferle, Benedict; Thirolf, Peter [Ludwig-Maximilians-Universitaet Muenchen (Germany); Laatiaoui, Mustapha [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH (Germany)

    2014-07-01

    The isomeric lowest excited nuclear level of {sup 229}Th has been indirectly measured to be 7.6±0.5 eV (163±11 nm). In order to improve the accuracy as prerequisite of an all-optical control, {sup 229m}Th is populated via a 2% decay branch in the α decay of {sup 233}U. The Thorium ions are extracted and cooled with the help of a buffer gas stopping cell and an RFQ-cooler. In order to suppress accompanying α decay chain products other than {sup 229}Th, a quadrupole mass spectrometer (QMS) is used, performance and extraction efficiency measurements were performed. Following the QMS, the Thorium isomers will be collected on a 50 μm micro electrode. The decay of these isomers can then be detected using deep UV optics, presently in the phase of preparation and adjustment. Newest results are presented.

  10. Cluster decay of Ba isotopes from ground state and as an excited ...

    Indian Academy of Sciences (India)

    122 is studied by modifying the Coulomb and proximity potential model for both the ground and excited state decays ... 20 and they arise as multiple clusters and are accompanied by multiple light particles. (Z ≤ 2). ... all aspects of α and cluster decay from these isotopes from both ground and excited states beginning with ...

  11. Excitation functions of proton induced nuclear reactions on natural copper using a medium-sized cyclotron

    Energy Technology Data Exchange (ETDEWEB)

    Al-Saleh, F.S.; Al-Harbi, A.A. [Physics Dept., Girls Coll. of Education in Riyadh, Scientific Dept., Riyadh (Saudi Arabia); Azzam, A. [Nuclear Physics Dept., Nuclear Recearch Center, A.E.A, Cairo (Egypt)

    2006-07-01

    Activation techniques have been used to measure the excitation functions of proton induced nuclear reactions on natural copper from their thresholds up to 27.5 MeV. The beam current was measured using a Faraday cup with secondary electron suppression, and the radioactivity of the products was determined via high-resolution gamma ray spectrometry. The data were compared with the data recommended by the IAEA wherever it was possible. A comparison of the new excitation functions with the theoretical calculations reported in the literature was undertaken to check the order of agreement between them. Good agreement was found for the results of {sup 63}Zn while the theoretical calculations overestimate the cross sections for {sup 61}Cu and {sup 62}Zn. The excitation function for the reaction {sup nat}Cu(p, x){sup 61}Co was measured for the first time during this work. The integral yields of the radionuclides {sup 62.63.65}Zn, {sup 61}Cu and {sup 61}Co were calculated. {sup 63}Zn and {sup 65}Zn are produced over the whole energy range of 3 to 27.5 MeV and the yield gets saturated above 20 MeV. {sup 62}Zn, {sup 61}Cu and {sup 61}Co are produced at relatively high energies and have integral yield values between those of {sup 63}Zn and {sup 65}Zn. The relatively high yield of {sup 62}Zn is useful for the production of {sup 62}Zn/{sup 62}Cu generator system. (orig.)

  12. State-averaged Monte Carlo configuration interaction applied to electronically excited states

    CERN Document Server

    Coe, J P

    2014-01-01

    We introduce state-averaging into the method of Monte Carlo configuration interaction (SA-MCCI) to allow the stable and efficient calculation of excited states. We show that excited potential curves for H$_{3}$, including a crossing with the ground state, can be accurately reproduced using a small fraction of the FCI space. A recently introduced error measure for potential curves [J. P. Coe and M. J. Paterson, J. Chem. Phys., 137, 204108 (2012)] is shown to also be a fair approach when considering potential curves for multiple states. We demonstrate that potential curves for LiF using SA-MCCI agree well with the FCI results and the avoided crossing occurs correctly. The seam of conical intersections for CH$_{2}$ found by Yarkony [J. Chem. Phys., 104, 2932 (1996)] is used as a test for SA-MCCI and we compare potential curves from SA-MCCI with FCI results for this system for the first three triplet states. We then demonstrate the improvement from using SA-MCCI on the dipole of the $2$ $^{1}A_{1}$ state of carbo...

  13. E2 transitions between excited single-phonon states: Role of ground-state correlations

    Energy Technology Data Exchange (ETDEWEB)

    Kamerdzhiev, S. P. [National Research Centre Kurchatov Institute (Russian Federation); Voitenkov, D. A., E-mail: dvoytenkov@ippe.ru [Institute for Physics and Power Engineering (Russian Federation)

    2016-11-15

    The probabilities for E2 transitions between low-lying excited 3{sup −} and 5{sup −} single-phonon states in the {sup 208}Pb and {sup 132}Sn magic nuclei are estimated on the basis of the theory of finite Fermi systems. The approach used involves a new type of ground-state correlations, that which originates from integration of three (rather than two, as in the random-phase approximation) single-particle Green’s functions. These correlations are shown to make a significant contribution to the probabilities for the aforementioned transitions.

  14. Emergence of nontrivial magnetic excitations in a spin-liquid state of kagomé volborthite

    Science.gov (United States)

    Watanabe, Daiki; Sugii, Kaori; Shimozawa, Masaaki; Suzuki, Yoshitaka; Yajima, Takeshi; Ishikawa, Hajime; Hiroi, Zenji; Shibauchi, Takasada; Matsuda, Yuji; Yamashita, Minoru

    2016-01-01

    When quantum fluctuations destroy underlying long-range ordered states, novel quantum states emerge. Spin-liquid (SL) states of frustrated quantum antiferromagnets, in which highly correlated spins fluctuate down to very low temperatures, are prominent examples of such quantum states. SL states often exhibit exotic physical properties, but the precise nature of the elementary excitations behind such phenomena remains entirely elusive. Here, we use thermal Hall measurements that can capture the unexplored property of the elementary excitations in SL states, and report the observation of anomalous excitations that may unveil the unique features of the SL state. Our principal finding is a negative thermal Hall conductivity κxy which the charge-neutral spin excitations in a gapless SL state of the 2D kagomé insulator volborthite Cu3V2O7(OH)2⋅2H2O exhibit, in much the same way in which charged electrons show the conventional electric Hall effect. We find that κxy is absent in the high-temperature paramagnetic state and develops upon entering the SL state in accordance with the growth of the short-range spin correlations, demonstrating that κxy is a key signature of the elementary excitation formed in the SL state. These results suggest the emergence of nontrivial elementary excitations in the gapless SL state which feel the presence of fictitious magnetic flux, whose effective Lorentz force is found to be less than 1/100 of the force experienced by free electrons. PMID:27439874

  15. Transport properties of local thermodynamic equilibrium hydrogen plasmas including electronically excited states.

    Science.gov (United States)

    Capitelli, M; Celiberto, R; Gorse, C; Laricchiuta, A; Pagano, D; Traversa, P

    2004-02-01

    A study of the dependence of transport coefficients (thermal conductivity, viscosity, electrical conductivity) of local thermodynamic equilibrium H2 plasmas on the presence of electronically atomic excited states, H(n), is reported. The results show that excited states with their "abnormal" cross sections strongly affect the transport coefficients especially at high pressure. Large relative errors are found when comparing the different quantities with the corresponding values obtained by using ground-state transport cross sections. The accuracy of the present calculation is finally discussed in the light of the selection of transport cross sections and in dependence of the considered number of excited states.

  16. Minimum in the high-order harmonic generation spectrum from molecules: role of excited states

    DEFF Research Database (Denmark)

    Han, Yong-Chang; Madsen, Lars Bojer

    2010-01-01

    that the coherent laser coupling induced between the 2Σ+g(1sσg) ground state and the first excited 2Σ+u(2pσu) state leads to two dominating amplitudes for the high-order harmonic generation that may interfere: amplitudes describing recombination back into the σg and σu states, respectively. These two amplitudes may......We model the process of high-order harmonic generation by solving the time-dependent Schrödinger equation for H+2 in the fixed nuclei approximation including full 3D electron motion for nonvanishing angles between the nuclear axis and the linear polarization of the driving pulse. We show...... interfere destructively or constructively. The effect of a destructive interference is very clear through the occurrence of a minimum in the high-order harmonic spectrum. We show cases where such a minimum in the spectrum is approximately at the position predicted by the simple two-centre interference...

  17. Femtosecond photoelectron imaging of transient electronic states and Rydberg atom emission from electronically excited he droplets.

    Science.gov (United States)

    Kornilov, Oleg; Bünermann, Oliver; Haxton, Daniel J; Leone, Stephen R; Neumark, Daniel M; Gessner, Oliver

    2011-07-14

    Ultrafast relaxation of electronically excited pure He droplets is investigated by femtosecond time-resolved photoelectron imaging. Droplets are excited by extreme ultraviolet (EUV) pulses with photon energies below 24 eV. Excited states and relaxation products are probed by ionization with an infrared (IR) pulse with 1.6 eV photon energy. An initially excited droplet state decays on a time scale of 220 fs, leading predominantly to the emission of unaligned 1s3d Rydberg atoms. In a second relaxation channel, electronically aligned 1s4p Rydberg atoms are emitted from the droplet within less than 120 fs. The experimental results are described within a model that approximates electronically excited droplet states by localized, atomic Rydberg states perturbed by the local droplet environment in which the atom is embedded. The model suggests that, below 24 eV, EUV excitation preferentially leads to states that are localized in the surface region of the droplet. Electronically aligned 1s4p Rydberg atoms are expected to originate from excitations in the outermost surface regions, while nonaligned 1s3d Rydberg atoms emerge from a deeper surface region with higher local densities. The model is used to simulate the He droplet EUV absorption spectrum in good agreement with previously reported fluorescence excitation measurements.

  18. Excited-state dynamics of hybrid multichromophoric systems: toward an excitation wavelength control of the charge separation pathways.

    Science.gov (United States)

    Banerji, Natalie; Duvanel, Guillaume; Perez-Velasco, Alejandro; Maity, Santanu; Sakai, Naomi; Matile, Stefan; Vauthey, Eric

    2009-07-23

    The photophysical properties of two hybrid multichromophoric systems consisting of an oligophenylethynyl (OPE) scaffold decorated by 10 red or blue naphthalene diimides (NDIs) have been investigated using femtosecond spectroscopy. Ultrafast charge separation was observed with both red and blue systems. However, the nature of the charge-separated state and its lifetime were found to differ substantially. For the red system, electron transfer occurs from the OPE scaffold to an NDI unit, independently of whether the OPE or an NDI is initially excited. However, charge separation upon OPE excitation is about 10 times faster, and takes place with a 100 fs time constant. The average lifetime of the ensuing charge-separated state amounts to about 650 ps. Charge separation in the blue system depends on which of the OPE scaffold or an NDI is excited. In the first case, an electron is transferred from the OPE to an NDI and the hole subsequently shifts to another NDI unit, whereas in the second case symmetry-breaking charge separation between two NDI units occurs. Although the charges are located on two NDIs in both cases, different recombination dynamics are observed. This is explained by the location of the ionic NDI moieties that depends on the charge separation pathway, hence on the excitation wavelength. The very different dynamics observed with red and blue systems can be accounted for by the oxidation potentials of the respective NDIs that are higher and lower than that of the OPE scaffold. Because of this, the relative energies of the two charge-separated states (hole on the OPE or an NDI) are inverted.

  19. Excited state dynamics in photosynthetic reaction center and light harvesting complex 1

    Science.gov (United States)

    Strümpfer, Johan; Schulten, Klaus

    2012-08-01

    Key to efficient harvesting of sunlight in photosynthesis is the first energy conversion process in which electronic excitation establishes a trans-membrane charge gradient. This conversion is accomplished by the photosynthetic reaction center (RC) that is, in case of the purple photosynthetic bacterium Rhodobacter sphaeroides studied here, surrounded by light harvesting complex 1 (LH1). The RC employs six pigment molecules to initiate the conversion: four bacteriochlorophylls and two bacteriopheophytins. The excited states of these pigments interact very strongly and are simultaneously influenced by the surrounding thermal protein environment. Likewise, LH1 employs 32 bacteriochlorophylls influenced in their excited state dynamics by strong interaction between the pigments and by interaction with the protein environment. Modeling the excited state dynamics in the RC as well as in LH1 requires theoretical methods, which account for both pigment-pigment interaction and pigment-environment interaction. In the present study we describe the excitation dynamics within a RC and excitation transfer between light harvesting complex 1 (LH1) and RC, employing the hierarchical equation of motion method. For this purpose a set of model parameters that reproduce RC as well as LH1 spectra and observed oscillatory excitation dynamics in the RC is suggested. We find that the environment has a significant effect on LH1-RC excitation transfer and that excitation transfers incoherently between LH1 and RC.

  20. An analytical study on excitation of nuclear-coupled thermal-hydraulic instability due to seismically induced resonance in BWR

    Energy Technology Data Exchange (ETDEWEB)

    Hirano, Masashi [Japan Atomic Energy Research Institute, Ibaraki-ken (Japan)

    1997-07-01

    This paper describes the results of a scoping study on seismically induced resonance of nuclear-coupled thermal-hydraulic instability in BWRs, which was conducted by using TRAC-BF1 within a framework of a point kinetics model. As a result of the analysis, it is shown that a reactivity insertion could occur accompanied by in-surge of coolant into the core resulted from the excitation of the nuclear-coupled instability by the external acceleration. In order to analyze this phenomenon more in detail, it is necessary to couple a thermal-hydraulic code with a three-dimensional nuclear kinetics code.

  1. Resonance-Enhanced Excited-State Raman Spectroscopy of Conjugated Thiophene Derivatives: Combining Experiment with Theory

    Science.gov (United States)

    Barclay, Matthew S.; Quincy, Timothy J.; Caricato, Marco; Elles, Christopher G.

    2017-06-01

    Resonance-enhanced Femtosecond Stimulated Raman Spectroscopy (FSRS) is an ultrafast experimental method that allows for the study of excited-state structural behaviors, as well as the characterization of higher electronically excited states accessible through the resonant conditions of the observed vibrations. However, interpretation of the experiment is difficult without an accurate vibrational assignment of the resonance-enhanced spectra. We therefore utilize simulations of off-resonant excited-state Raman spectra, in which we employ a numerical derivative of the analytical excited-state polarizabilities along the normal mode displacements, in order to identify and interpret the resonance-enhanced vibrations observed in experiment. We present results for a benchmark series of conjugated organic thiophene derivatives, wherein we have computed the off-resonant excited-state Raman spectra for each molecule and matched it with its resonance-enhanced experimental spectrum. This comparison allows us to successfully identify the vibrational displacements of the observed FSRS bands, as well as validate the accuracy of the theoretical results through an experimental benchmark. The agreement between the experimental and computed results demonstrates that we are able to predict qualitatively accurate excited-state Raman spectra for these conjugated thiophenes, allowing for a more thorough interpretation of excited-state Raman signals at relatively low computational cost.

  2. New excited states in sd-shell nucleus {sup 33}P

    Energy Technology Data Exchange (ETDEWEB)

    Fu, B.; Reiter, P.; Arnswald, K.; Hess, H.; Hirsch, R.; Lewandowski, L.; Schneiders, D.; Seidlitz, M.; Siebeck, B.; Steinbach, T.; Vogt, A.; Wendt, A.; Wolf, K. [Institut fuer Kernphysik, Universitaet zu Koeln (Germany)

    2015-07-01

    Isospin-symmetry breaking in nuclear physics is mainly described by Mirror-Energy Differences (MED) for mirror nuclei or Triplet-Energy Differences (TED) for isobaric triplets. Modified USD-calculations successfully reproduce MED for T=1,3/2,2 sd-shell nuclei. Refined tests of theory are given by lifetime measurements in order to deduce transition-strength values. In order to study the mirror pair {sup 33}Ar and {sup 33}P, the fusion-evaporation reaction {sup 13}C+{sup 26}Mg at 46 MeV was measured at the Cologne tandem accelerator and the HORUS spectrometer employing the Doppler-Shift-Attenuation-Method (DSAM). First results yielded new γ-ray transitions in {sup 33}P and {sup 33}S. The level scheme of {sup 33}P was extended up to excitation energies of 10 MeV. Spins and parities of the new levels were determined exploiting γγ-angular correlations. Together with values from the proton-rich T{sub z} = - 3/2 partner, the levels are compared to shell model calculations, describing excitation energies of sd -shell mirror pairs. The understanding of isospin symmetry and isospin-symmetry breaking is a fundamental question in nuclear physics. Isospin-symmetry breaking is mainly described by Mirror-Energy Differences (MED) for mirror nuclei or Triplet-Energy Differences (TED) for isobaric triplets. Modified USD{sup m}{sub 1,2,3}-calculations successfully reproduced MED for the mirror nuclei {sup 33}Ar and {sup 33}P. Both {sup 33}P and {sup 33}S were produced at the Cologne FN tandem accelerator employing the fusion-evaporation reaction {sup 13}C+{sup 26}Mg at 46 MeV and spectroscopically investigated using 14 HPGe detectors. Several new energy states (in {sup 33}P) and γ-ray transitions (in {sup 33}P and {sup 33}S) were detected. Spins and parities of the new levels in {sup 33}P were determined exploiting γγ-angular correlations. The level scheme of {sup 33}P was extended up to excitation energies of 10 MeV.

  3. Nuclear structure studies of the neutron-rich Rubidium isotopes using Coulomb excitation

    CERN Multimedia

    Reiter, P; Blazhev, A A; Voulot, D; Meot, V H; Simpson, G S; Georgiev, G P; Gaudefroy, L; Roig, O

    We propose to study the properties of odd-mass neutron-rich rubidium isotopes by the Coulomb-excitation technique, using the Miniball array coupled to the REX-ISOLDE facility. The results from similar measurements from the recent years (e.g. for the odd-mass and the odd-odd Cu isotopes, IS435) have shown the strong potential in such measurements for gaining information both for single-particle-like and collective states in exotic nuclei. Since there is practically no experimental information for excited states in the odd-mass Rb isotopes beyond $^{93}$Rb, the present study should be able to provide new data in a region of spherical ($^{93}$Rb and $^{95}$Rb) as well as well-deformed nuclei ($^{97}$Rb and $^{99}$Rb). Of particular interest is the rapid shape change that occurs when going from $^{95}$Rb (${\\varepsilon}_{2}$=0.06) to $^{97}$Rb (${\\varepsilon}_{2}$=0.3). These results should be of significant astrophysical interest as well, due to the close proximity of the r-process path.

  4. Size effect of water cluster on the excited-state proton transfer in aqueous solvent

    Science.gov (United States)

    Liu, Yu-Hui; Chu, Tian-Shu

    2011-03-01

    Time-dependent density functional theory (TDDFT) was used to investigate the excited-state proton transfer (ESPT) dynamics of 6-hydroxyquinolinium (6HQc) in aqueous solvent, resulting in the excited zwitterionic form (6HQz). The optimized excited-state energy profiles of 6HQc:(H 2O) n complexes have been calculated along the phenolic O sbnd H bond to simulate the minimum energy pathway (MEP) in the excited state. The results suggested that the threshold of the size of the water cluster is 3 for the excited-state proton transfer of 6HQc in aqueous solvent, since the conformation of the stable hydrated proton requires proton transferring to the second or deeper shell of water solvent. Moreover, the stability of the hydrated proton can be improved significantly by adding one more H 2O molecule to form an Eigen cation in the excited-state 6HQz:H 9O 4+. The effect of the size of water cluster on the proton transfer is investigated theoretically in the excited state for the first time.

  5. Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green's Functions Theory.

    Science.gov (United States)

    Baumeier, Björn; Andrienko, Denis; Ma, Yuchen; Rohlfing, Michael

    2012-03-13

    Excited states of dicyanovinyl-substituted oligothiophenes are studied using many-body Green's functions theory within the GW approximation and the Bethe-Salpeter equation. By varying the number of oligomer repeat units, we investigate the effects of resonant-antiresonant transition coupling, dynamical screening, and molecular conformations on calculated excitations. We find that the full dynamically screened Bethe-Salpeter equation yields absorption and emission energies in good agreement with experimental data. The effect of resonant-antiresonant coupling on the first singlet π → π* excitation monotonically decreases with increasing size of the molecule, while dynamical screening effects uniformly lower the excitation energies.

  6. Excited-state entanglement and thermal mutual information in random spin chains

    Science.gov (United States)

    Huang, Yichen; Moore, Joel E.

    2014-12-01

    Entanglement properties of excited eigenstates (or of thermal mixed states) are difficult to study with conventional analytical methods. We approach this problem for random spin chains using a recently developed real-space renormalization group technique for excited states ("RSRG-X"). For the random XX and quantum Ising chains, which have logarithmic divergences in the entanglement entropy of their (infinite-randomness) critical ground states, we show that the entanglement entropy of excited eigenstates retains a logarithmic divergence while the mutual information of thermal mixed states does not. However, in the XX case the coefficient of the logarithmic divergence extends from the universal ground-state value to a universal interval due to the degeneracy of excited eigenstates. These models are noninteracting in the sense of having free-fermion representations, allowing strong numerical checks of our analytical predictions.

  7. Effect of xanthophyll composition on the chlorophyll excited state lifetime in plant leaves and isolated LHCII

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Matthew P.; Zia, Ahmad [School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London E1 4NS (United Kingdom); Horton, Peter [Department of Molecular Biology and Biotechnology, University of Sheffield, Firth Court, Western Bank, Sheffield S10 2TN (United Kingdom); Ruban, Alexander V., E-mail: a.ruban@qmul.ac.uk [School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London E1 4NS (United Kingdom)

    2010-07-19

    Xanthophyll excited states have been implicated by transient absorption and two-photon excitation studies in playing a key role in the regulation of photosynthetic light harvesting via photoprotective energy dissipation. For any proposed quenching mechanism to be effective it must reduce the chlorophyll excited state lifetime from 2 ns to {approx}0.5-0.4 ns. In the presented study the effect of xanthophyll composition on the chlorophyll excited state lifetime in Arabidopsis leaves in the light harvesting (F{sub m}) and photoprotective (NPQ) states was determined. The data was compared to the chlorophyll excited state lifetime of native isolated LHCII and CP26 in detergent micelles with varying xanthophyll composition. It was found that although the differences in xanthophyll composition between LHC complexes from various Arabidopsis mutants were sufficient to explain the varying F{sub m} lifetime (and varying PSII efficiency), they were not of a sufficient scale to fully explain the observed differences in the NPQ lifetimes. Only when the LHC complexes were exposed to a low detergent/low pH media, a condition known to mimic the conformational state of LHCII associated with NPQ in vivo, were variations in excited state lifetime large enough to explain the differences observed in leaves. Furthermore, the data reveal that the replacement of lutein by either zeaxanthin or violaxanthin in the internal xanthophyll binding sites of LHCII and CP26 reduces the efficiency of energy dissipation in the photoprotective state in leaves and isolated complexes.

  8. Dual fluorescent polyaniline model compounds: steric and temperature effects on excited state charge separation.

    Science.gov (United States)

    Kapelle, Sabine; Rettig, Wolfgang; Lapouyade, René

    2002-07-01

    Low temperature dual fluorescence of several derivatives of 4-aminodiphenylamine is investigated quantitatively. A strong thermochromic and solvatochromic redshift is indicative of the high dipole moment of the CT state emitting at long wavelength. The combination of steady state and time-resolved data allowed the calculation of the excited-state equilibrium. The absence of CT-risetimes in diethyl ether and their presence in butyronitrile points to the complication by additional ground state conformational equilibria. Both ground and excited state equilibria depend on solvent polarity and temperature. High solvent polarity favours one of the ground state conformers.

  9. Effects of crossed states on photoluminescence excitation spectroscopy of InAs quantum dots

    Directory of Open Access Journals (Sweden)

    Lin Chien-Hung

    2011-01-01

    Full Text Available Abstract In this report, the influence of the intrinsic transitions between bound-to-delocalized states (crossed states or quasicontinuous density of electron-hole states on photoluminescence excitation (PLE spectra of InAs quantum dots (QDs was investigated. The InAs QDs were different in size, shape, and number of bound states. Results from the PLE spectroscopy at low temperature and under a high magnetic field (up to 14 T were compared. Our findings show that the profile of the PLE resonances associated with the bound transitions disintegrated and broadened. This was attributed to the coupling of the localized QD excited states to the crossed states and scattering of longitudinal acoustical (LA phonons. The degree of spectral linewidth broadening was larger for the excited state in smaller QDs because of the higher crossed joint density of states and scattering rate.

  10. Spin-state transition in LaCoO3: direct neutron spectroscopic evidence of excited magnetic states.

    Science.gov (United States)

    Podlesnyak, A; Streule, S; Mesot, J; Medarde, M; Pomjakushina, E; Conder, K; Tanaka, A; Haverkort, M W; Khomskii, D I

    2006-12-15

    A gradual spin-state transition occurs in LaCoO3 around T approximately 80-120 K, whose detailed nature remains controversial. We studied this transition by means of inelastic neutron scattering and found that with increasing temperature an excitation at approximately 0.6 meV appears, whose intensity increases with temperature, following the bulk magnetization. Within a model including crystal-field interaction and spin-orbit coupling, we interpret this excitation as originating from a transition between thermally excited states located about 120 K above the ground state. We further discuss the nature of the magnetic excited state in terms of intermediate-spin (t(2g)(5)e(g)(1), S=1) versus high-spin (t(2g)(4)e(g)(2), S=2) states. Since the g factor obtained from the field dependence of the inelastic neutron scattering is g approximately 3, the second interpretation is definitely favored.

  11. Chiral symmetry and nuclear matter equation of state

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 57; Issue 2-3 ... We investigate the effect on the nuclear matter equation of state (EOS) due to modification of meson and nucleon parameters in nuclear medium as a consequence ... Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India ...

  12. Interception of excited vibrational quantum states by O2 in atmospheric association reactions.

    Science.gov (United States)

    Glowacki, David R; Lockhart, James; Blitz, Mark A; Klippenstein, Stephen J; Pilling, Michael J; Robertson, Struan H; Seakins, Paul W

    2012-08-31

    Bimolecular reactions in Earth's atmosphere are generally assumed to proceed between reactants whose internal quantum states are fully thermally relaxed. Here, we highlight a dramatic role for vibrationally excited bimolecular reactants in the oxidation of acetylene. The reaction proceeds by preliminary adduct formation between the alkyne and OH radical, with subsequent O(2) addition. Using a detailed theoretical model, we show that the product-branching ratio is determined by the excited vibrational quantum-state distribution of the adduct at the moment it reacts with O(2). Experimentally, we found that under the simulated atmospheric conditions O(2) intercepts ~25% of the excited adducts before their vibrational quantum states have fully relaxed. Analogous interception of excited-state radicals by O(2) is likely common to a range of atmospheric reactions that proceed through peroxy complexes.

  13. Tracking the Excited-State Time Evolution of the Visual Pigment with Multiconfigurational Quantum Chemistry

    National Research Council Canada - National Science Library

    Luis Manuel Frutos; Tadeusz Andruniów; Fabrizio Santoro; Nicolas Ferré; Massimo Olivucci

    2007-01-01

    ...). Here, we use a scaled quantum mechanics/molecular mechanics potential that reproduces the isomerization path determined with multiconfigurational perturbation theory to follow the excited-state evolution of bovine Rh...

  14. Metastable states in parametrically excited multimode Hamiltonian systems

    CERN Document Server

    Kirr, E

    2003-01-01

    Consider a linear autonomous Hamiltonian system with time periodic bound state solutions. In this paper we study their dynamics under time almost periodic perturbations which are small, localized and Hamiltonian. The analysis proceeds through a reduction of the original infinite dimensional dynamical system to the dynamics of two coupled subsystems: a dominant m-dimensional system of ordinary differential equations (normal form), governing the projections onto the bound states and an infinite dimensional dispersive wave equation. The present work generalizes previous work of the authors, where the case of a single bound state is considered. Here, the interaction picture is considerably more complicated and requires deeper analysis, due to a multiplicity of bound states and the very general nature of the perturbation's time dependence. Parametric forcing induces coupling of bound states to continuum radiation modes, bound states directly to bound states, as well as coupling among bound states, which is mediate...

  15. A VUV detection system for the direct photonic identification of the first excited isomeric state of 229Th

    Science.gov (United States)

    Seiferle, Benedict; von der Wense, Lars; Laatiaoui, Mustapha; Thirolf, Peter G.

    2016-03-01

    With an expected energy of 7.6(5) eV, 229Th possesses the lowest excited nuclear state in the landscape of all presently known nuclei. The energy corresponds to a wavelength of about 160 nm and would conceptually allow for an optical laser excitation of a nuclear transition. We report on a VUV optical detection system that was designed for the direct detection of the isomeric ground-state transition of 229Th. 229(m)Th ions originating from a 233U α-recoil source are collected on a micro electrode that is placed in the focus of an annular parabolic mirror. The latter is used to parallelize the UV fluorescence that may emerge from the isomeric ground-state transition of 229Th. The parallelized light is then focused by a second annular parabolic mirror onto a CsI-coated position-sensitive MCP detector behind the mirror exit. To achieve a high signal-to-background ratio, a small spot size on the MCP detector needs to be achieved. Besides extensive ray-tracing simulations of the optical setup, we present a procedure for its alignment, as well as test measurements using a D2 lamp, where a focal-spot size of ≈100 μm has been achieved. Assuming a purely photonic decay, a signal-to-background ratio of ≈7000:1 could be achieved.

  16. Description of ground and excited electronic states by ensemble density functional method with extended active space

    Science.gov (United States)

    Filatov, Michael; Martínez, Todd J.; Kim, Kwang S.

    2017-08-01

    An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4) method, designed to describe the ground electronic states of strongly multireference systems is modified to enable calculation of excited states within the time-independent variational formalism. The new method, the state-interaction state-averaged REKS(4,4), i.e., SI-SA-REKS(4,4), is capable of describing several excited states of a molecule involving double bond cleavage, polyradical character, or multiple chromophoric units. We demonstrate that the new method correctly describes the ground and the lowest singlet excited states of a molecule (ethylene) undergoing double bond cleavage. The applicability of the new method for excitonic states is illustrated with π stacked ethylene and tetracene dimers. We conclude that the new method can describe a wide range of multireference phenomena.

  17. Nonaxial shapes of even–even lantanide and actinide nuclei in excited collective states

    Energy Technology Data Exchange (ETDEWEB)

    Nadirbekov, M. S., E-mail: nodirbekov@inp.uz; Bozarov, O. A. [Uzbek Academy of Sciences, Institute of Nuclear Physics (Uzbekistan)

    2016-07-15

    Quadrupole-type excited states of even–even nuclei are studied on the basis of arbitrary-triaxiality model. It is shown that the inclusion of high-order terms in the expansion of the rotational-energy operator in the variable γ improves substantially agreement between our theoretical results and respective experimental data. The proposed model makes it possible to explain the intricate character of the spectrum of excited states of even–even lanthanide and actinide nuclei.

  18. OPTIMIZATION OF A BOXCAR INTEGRATOR AVERAGER SYSTEM FOR EXCITED-STATE LIFETIME MEASUREMENTS

    OpenAIRE

    NOVO, JBM; PESSINE, FBT

    1992-01-01

    The instrumental distortions due to adjustable parameters of the SR250 boxcar integrator/averager system and a pulsed-laser luminescence spectrometer on the excited-state lifetime decay waveforms were investigated. A theoretical model which takes into account the exponential moving average for this instrument and also RC distortion on the time-dependent luminescence signal is presented. An analytical expression relating the sample's excited-state lifetime and the adjustable instrumental param...

  19. Influence of excited states on the energy loss of fast ions in a hydrogen plasma

    Energy Technology Data Exchange (ETDEWEB)

    Kaercher, B. (Max-Planck-Institut fuer Quantenoptik, D-8046 Garching, Germany (DE)); Peter, T. (Max-Planck-Institut fuer Chemie, D-6500 Mainz, Germany (DE))

    1991-04-01

    Stopping power calculations of fast ions penetrating a hydrogen plasma target in local thermodynamic equilibrium at arbitrary temperatures are performed. Excited state contributions to the energy loss are included in the framework of the Bethe formalism. Average ionization potentials for the excited ions are given in a quasiclassical approximation. It is shown that the net effect is an enhancement of the stopping power compared to the energy loss when assuming all atoms to be in their ground state.

  20. Sum rule analysis of vector and axial-vector spectral functions with excited states in vacuum

    OpenAIRE

    Hohler, Paul M.; Rapp, Ralf

    2012-01-01

    We simultaneously analyze vector and axial-vector spectral functions in vacuum using hadronic models constrained by experimental data and the requirement that Weinberg-type sum rules are satisfied. Upon explicit inclusion of an excited vector state, viz. rho', and the requirement that the perturbative continua are degenerate in vector and axial-vector channels, we deduce the existence of an excited axial-vector resonance state, a1', in order that the Weinberg sum rules are satisfied. The resu...

  1. Vibronic energy map and excited state vibrational characteristics of magnesium myoglobin determined by energy-selective fluorescence.

    OpenAIRE

    Kaposi, A D; Vanderkooi, J. M.

    1992-01-01

    The vibrational frequencies of the singlet excited state of Mg-substituted myoglobin and relative absorption probabilities were determined by fluorescence line-narrowing spectroscopy. These spectra contain information on the structure of the excited state species, and the availability of vibrationally resolved spectra from excited state biomolecules should aid in elucidating their structure and reactivity.

  2. Non-orthogonal configuration interaction for the calculation of multielectron excited states

    Energy Technology Data Exchange (ETDEWEB)

    Sundstrom, Eric J., E-mail: eric.jon.sundstrom@berkeley.edu; Head-Gordon, Martin [Department of Chemistry, University of California Berkeley, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-21

    We apply Non-orthogonal Configuration Interaction (NOCI) to molecular systems where multielectron excitations, in this case double excitations, play a substantial role: the linear polyenes and β-carotene. We demonstrate that NOCI when applied to systems with extended conjugation, provides a qualitatively correct wavefunction at a fraction of the cost of many other multireference treatments. We also present a new extension to this method allowing for purification of higher-order spin states by utilizing Generalized Hartree-Fock Slater determinants and the details for computing 〈S{sup 2}〉 for the ground and excited states.

  3. Vibrational Spectrum of an Excited State and Huang-Rhys Factors by Coherent Wave Packets in Time-Resolved Fluorescence Spectroscopy.

    Science.gov (United States)

    Lee, Gyeongjin; Kim, Junwoo; Kim, So Young; Kim, Dong Eon; Joo, Taiha

    2017-03-17

    Coherent nuclear wave packet motions in an electronic excited state of a molecule are measured directly by time-resolved spontaneous fluorescence spectroscopy with an unprecedented time resolution by using two-photon absorption excitation and fluorescence upconversion by noncollinear sum frequency generation. With an estimated time resolution of approximately 25 fs, wave packet motions of vibrational modes up to 1600 cm(-1) are recorded for coumarin 153 in ethanol. Two-color transient absorption at 13 fs time resolution are measured to confirm the result. Vibrational displacements between the ground and excited states and Huang-Rhys factors (HRFs) are calculated by quantum mechanical methods and are compared with the experimental results. HRFs calculated by density functional theory (DFT) and time-dependent DFT reproduce the experiment adequately. This fluorescence-based method provides a unique and direct way to obtain the vibrational spectrum of a molecule in an electronic excited state and the HRFs, as well as the dynamics of excited states, and it might provide information on the structure of an excited state through the HRFs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Excited state evolution towards ligand loss and ligand chelation at group 6 metal carbonyl centres.

    Science.gov (United States)

    Manton, Jennifer C; Amirjalayer, Saeed; Coleman, Anthony C; McMahon, Suzanne; Harvey, Emma C; Greetham, Gregory M; Clark, Ian P; Buma, Wybren Jan; Woutersen, Sander; Pryce, Mary T; Long, Conor

    2014-12-21

    The photochemistry and photophysics of three model "half-sandwich" complexes (η(6)-benzophenone)Cr(CO)3, (η(6)-styrene)Cr(CO)3, and (η(6)-allylbenzene)Cr(CO)3 were investigated using pico-second time-resolved infrared spectroscopy and time-dependent density functional theory methods. The (η(6)-benzophenone)Cr(CO)3 complex was studied using two excitation wavelengths (470 and 320 nm) while the remaining complexes were irradiated using 400 nm light. Two independent excited states were detected spectroscopically for each complex, one an unreactive excited state of metal-to-arene charge-transfer character and the other with metal-to-carbonyl charge transfer character. This second excited state leads to an arrested release of CO on the pico-second time-scale. Low-energy excitation (470 nm) of (η(6)-benzophenone)Cr(CO)3 populated only the unreactive excited state which simply relaxes to the parent complex. Higher energy irradiation (320 nm) induced CO-loss. Irradiation of (η(6)-styrene)Cr(CO)3, or (η(6)-allylbenzene)Cr(CO)3 at 400 nm provided evidence for the simultaneous population of both the reactive and unreactive excited states. The efficiency at which the unreactive excited state is populated depends on the degree of conjugation of the substituent with the arene π-system and this affects the efficiency of the CO-loss process. The quantum yield of CO-loss is 0.50 for (η(6)-allylbenzene)Cr(CO)3 and 0.43 for (η(6)-styrene)Cr(CO)3. These studies provide evidence for the existence of two photophysical routes to CO loss, a minor ultrafast route and an arrested mechanism involving the intermediate population of a reactive excited state. This reactive excited state either relaxes to reform the parent species or eject CO. Thus the quantum yield of the CO-loss is strongly dependent on the excitation wavelength. Time-dependent density functional theory calculations confirm that the state responsible for ultrafast CO-loss has significant metal-centred character while

  5. Dark excited states of carotenoid in light harvesting complex probing with femtosecond stimulated Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Sakai S.

    2013-03-01

    Full Text Available Vibrational dynamics of dark excited states in carotenoids have been investigated using tunable Raman pump pulses. The S1 state has same vibrational dynamics in light-harvesting complex (LH1 and solution. The S* state in LH1 has similar vibrational modes with the triplet state of carotenoid. However, the so-called S* state in solution does not have the modes and is concluded to be different from the S* state in LH1.

  6. Photochemistry of excited-state species in natural waters: a role for particulate organic matter.

    Science.gov (United States)

    Cottrell, Barbara A; Timko, Stephen A; Devera, Lianne; Robinson, Alice K; Gonsior, Michael; Vizenor, Ashley E; Simpson, André J; Cooper, William J

    2013-09-15

    Laser flash photolysis (LFP) was used to characterize a triplet excited state species isolated from Black River and San Joaquin wetlands particulate organic matter (POM). The solubilized organic matter, isolated from POM by pH-independent diffusion in distilled water, was named PdOM. UV-visible absorption spectroscopy, excitation-emission matrix spectroscopy (EEMs), and (1)H NMR were used to characterize the PdOM. While LFP of dissolved organic matter (DOM) is known to generate the solvated electron, LFP of the PdOM transient in argon-, air-, and nitrous oxide-saturated solutions indicated that this was a triplet excited state species ((3)PdOM*). The lifetime and the reactivity of (3)PdOM* with sorbic acid, a triplet state quencher, were compared with that of the triplet excited state of benzophenone, a DOM proxy. A second excited state species (designated DOM*), with a longer lifetime, was reported in a number of previous studies but not characterized. The lifetime of DOM*, measured for seventeen organic matter isolates, lignin, tannic acid, and three wetlands plant extracts, was shown to differentiate allochthonous from autochthonous DOM. (3)POM* and DOM* were also observed in lake water and a constructed wetlands' water. Aqueous extracts of fresh and aged plant material from the same wetland were shown to be one source of these excited state species. This study provides evidence of a role for POM in the photochemistry of natural and constructed wetland waters. Copyright © 2013 Elsevier Ltd. All rights reserved.

  7. Steady-state photoluminescent excitation characterization of semiconductor carrier recombination

    Energy Technology Data Exchange (ETDEWEB)

    Bhosale, J. S. [Intel Corporation, Hillsboro, Oregon 97124 (United States); Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Moore, J. E.; Wang, X.; Bermel, P.; Lundstrom, M. S. [Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)

    2016-01-15

    Photoluminescence excitation spectroscopy is a contactless characterization technique that can provide valuable information about the surface and bulk recombination parameters of a semiconductor device, distinct from other sorts of photoluminescent measurements. For this technique, a temperature-tuned light emitting diode (LED) has several advantages over other light sources. The large radiation density offered by LEDs from near-infrared to ultraviolet region at a low cost enables efficient and fast photoluminescence measurements. A simple and inexpensive LED-based setup facilitates measurement of surface recombination velocity and bulk Shockley-Read-Hall lifetime, which are key parameters to assess device performance. Under the right conditions, this technique can also provide a contactless way to measure the external quantum efficiency of a solar cell.

  8. Model Studies of CBES (Chemically Bound Excited States) Decomposition.

    Science.gov (United States)

    1988-02-01

    the nuclear coordinates. Since photons carry virtually no momentum, radiative decay is strictly forbidden. Molecules, such as FN3, which are...thermometer. Stainless steel cooling coils in the annulus between the reaction kettle and the pot were 7 Y*’ IL He COLD MASS TRAP FLOWMETER VACUUM I UV... SPACER T PYREX HN3 KETTLE ~~~TEFLON .v, COATED0 PADDLE H20 0 0 E FLECTRICALLY NaN 3 AND HEATED POT STEARIC ACID 0 0 0 DRAIN OIL Fig. 3 Detailed view of HN

  9. On excited states in real-time AdS/CFT

    Energy Technology Data Exchange (ETDEWEB)

    Botta-Cantcheff, Marcelo; Martínez, Pedro J.; Silva, Guillermo A. [Instituto de Física de La Plata - CONICET & Departamento de Física - UNLP,C.C. 67, 1900 La Plata (Argentina)

    2016-02-25

    The Skenderis-van Rees prescription, which allows the calculation of time-ordered correlation functions of local operators in CFT’s using holographic methods is studied and applied for excited states. Calculation of correlators and matrix elements of local CFT operators between generic in/out states are carried out in global Lorentzian AdS. We find the precise form of such states, obtain an holographic formula to compute the inner product between them, and using the consistency with other known prescriptions, we argue that the in/out excited states built according to the Skenderis-Van Rees prescription correspond to coherent states in the (large-N) AdS-Hilbert space. This is confirmed by explicit holographic computations. The outcome of this study has remarkable implications on generalizing the Hartle-Hawking construction for wave functionals of excited states in AdS quantum gravity.

  10. Excited-State Dynamics of Carotenoids Studied by Femtosecond Transient Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ingu; Pang, Yoonsoo [Department of Physics and Photon Science, Gwangju (Korea, Republic of); Lee, Sebok [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of)

    2014-03-15

    Carotenoids, natural antenna pigments in photosynthesis share a symmetric backbone of conjugated polyenes. Contrary to the symmetric and almost planar geometries of carotenoids, excited state structure and dynamics of carotenoids are exceedingly complex. In this paper, recent infrared and visible transient absorption measurements and excitation dependent dynamics of 8'-apo-β-caroten-8'-al and 7',7'-dicyano-7'-apo-β-carotene will be reviewed. The recent visible transient absorption measurements of 8'-apo-β-caroten-8'-al in polar and nonpolar solvents will also be introduced to emphasize the complex excited-state dynamics and unsolved problems in the S{sub 2} and S{sub 1} excited states.

  11. First-order derivative couplings between excited states from adiabatic TDDFT response theory.

    Science.gov (United States)

    Ou, Qi; Bellchambers, Gregory D; Furche, Filipp; Subotnik, Joseph E

    2015-02-14

    We present a complete derivation of derivative couplings between excited states in the framework of adiabatic time-dependent density functional response theory. Explicit working equations are given and the resulting derivative couplings are compared with derivative couplings from a pseudo-wavefunction ansatz. For degenerate excited states, i.e., close to a conical intersection (CI), the two approaches are identical apart from an antisymmetric overlap term. However, if the difference between two excitation energies equals another excitation energy, the couplings from response theory exhibit an unphysical divergence. This spurious behavior is a result of the adiabatic or static kernel approximation of time-dependent density functional theory leading to an incorrect analytical structure of the quadratic response function. Numerical examples for couplings close to a CI and for well-separated electronic states are given.

  12. Solid state nuclear track detection principles, methods and applications

    CERN Document Server

    Durrani, S A; ter Haar, D

    1987-01-01

    Solid State Nuclear Track Detection: Principles, Methods and Applications is the second book written by the authors after Nuclear Tracks in Solids: Principles and Applications. The book is meant as an introduction to the subject solid state of nuclear track detection. The text covers the interactions of charged particles with matter; the nature of the charged-particle track; the methodology and geometry of track etching; thermal fading of latent damage trails on tracks; the use of dielectric track recorders in particle identification; radiation dossimetry; and solid state nuclear track detecti

  13. Nuclear Security Education Program at the Pennsylvania State University

    Energy Technology Data Exchange (ETDEWEB)

    Uenlue, Kenan [The Pennsylvania State University, Radiation Science and Engineering Center, University Park, PA 16802-2304 (United States); The Pennsylvania State University, Department of Mechanical and Nuclear Engineering, University Park, PA 16802-2304 (United States); Jovanovic, Igor [The Pennsylvania State University, Department of Mechanical and Nuclear Engineering, University Park, PA 16802-2304 (United States)

    2015-07-01

    The availability of trained and qualified nuclear and radiation security experts worldwide has decreased as those with hands-on experience have retired while the demand for these experts and skills have increased. The U.S. Department of Energy's National Nuclear Security Administration's (NNSA) Global Threat Reduction Initiative (GTRI) has responded to the continued loss of technical and policy expertise amongst personnel and students in the security field by initiating the establishment of a Nuclear Security Education Initiative, in partnership with Pennsylvania State University (PSU), Texas A and M (TAMU), and Massachusetts Institute of Technology (MIT). This collaborative, multi-year initiative forms the basis of specific education programs designed to educate the next generation of personnel who plan on careers in the nonproliferation and security fields with both domestic and international focus. The three universities worked collaboratively to develop five core courses consistent with the GTRI mission, policies, and practices. These courses are the following: Global Nuclear Security Policies, Detectors and Source Technologies, Applications of Detectors/Sensors/Sources for Radiation Detection and Measurements Nuclear Security Laboratory, Threat Analysis and Assessment, and Design and Analysis of Security Systems for Nuclear and Radiological Facilities. The Pennsylvania State University (PSU) Nuclear Engineering Program is a leader in undergraduate and graduate-level nuclear engineering education in the USA. The PSU offers undergraduate and graduate programs in nuclear engineering. The PSU undergraduate program in nuclear engineering is the largest nuclear engineering programs in the USA. The PSU Radiation Science and Engineering Center (RSEC) facilities are being used for most of the nuclear security education program activities. Laboratory space and equipment was made available for this purpose. The RSEC facilities include the Penn State Breazeale

  14. Nuclear-state engineering in tripod systems using x-ray laser pulses

    Science.gov (United States)

    Nedaee-Shakarab, B.; Saadati-Niari, M.; Zolfagharpour, F.

    2017-10-01

    Coherent superposition of nuclear states in tripod systems using three x-ray laser pulses is investigated theoretically. The laser pulses transfer the population from one ground state to an arbitrary superposition of other ground states using coincident pulses and stimulated Raman adiabatic passage techniques. The short wavelengths needed in the frame of the nuclei are achieved by envisaging an accelerated nucleus interacting with three x-ray laser pulses. This study exploits the Morris-shore transformation to reduce the tripod system into a coupled three-state Λ -like system and a noncoupled state. We calculated the required laser intensities which satisfy the conditions of coincident pulses and adiabatic passage techniques. Considering the spontaneous emission from excited state |4 〉 and unstable ground states (|2 〉,|3 〉 ) to other states, we have used a master equation for numerical study, and the final fidelity of desired states with respect to the tolerance of laser intensities is studied numerically.

  15. Dual fluorescence of ellipticine: excited state proton transfer from solvent versus solvent mediated intramolecular proton transfer.

    Science.gov (United States)

    Banerjee, Sanghamitra; Pabbathi, Ashok; Sekhar, M Chandra; Samanta, Anunay

    2011-08-25

    Photophysical properties of a natural plant alkaloid, ellipticine (5,11-dimethyl-6H-pyrido[4,3-b]carbazole), which comprises both proton donating and accepting sites, have been studied in different solvents using steady state and time-resolved fluorescence techniques primarily to understand the origin of dual fluorescence that this molecule exhibits in some specific alcoholic solvents. Ground and excited state calculations based on density functional theory have also been carried out to help interpretation of the experimental data. It is shown that the long-wavelength emission of the molecule is dependent on the hydrogen bond donating ability of the solvent, and in methanol, this emission band arises solely from an excited state reaction. However, in ethylene glycol, both ground and excited state reactions contribute to the long wavelength emission. The time-resolved fluorescence data of the system in methanol and ethylene glycol indicates the presence of two different hydrogen bonded species of ellipticine of which only one participates in the excited state reaction. The rate constant of the excited state reaction in these solvents is estimated to be around 4.2-8.0 × 10(8) s(-1). It appears that the present results are better understood in terms of solvent-mediated excited state intramolecular proton transfer reaction from the pyrrole nitrogen to the pyridine nitrogen leading to the formation of the tautomeric form of the molecule rather than excited state proton transfer from the solvents leading to the formation of the protonated form of ellipticine. © 2011 American Chemical Society

  16. Accounting for highly excited states in detailed opacity calculations

    CERN Document Server

    Pain, Jean-Christophe

    2015-01-01

    In multiply-charged ion plasmas, a significant number of electrons may occupy high-energy orbitals. These "Rydberg" electrons, when they act as spectators, are responsible for a number of satellites of X-ray absorption or emission lines, yielding a broadening of the red wing of the resonance lines. The contribution of such satellite lines may be important, because of the high degeneracy of the relevant excited configurations which give these large Boltzmann weights. However, it is in general difficult to take these configurations into account since they are likely to give rise to a large number of lines. We propose to model the perturbation induced by the spectators in a way similar to the Partially-Resolved-Transition-Array approach recently published by C. Iglesias. It consists in a partial detailed-line-accounting calculation in which the effect of the Rydberg spectators is included through a shift and width, expressed in terms of the canonical partition functions, which are key-ingredients of the Super-Tr...

  17. Permanent Magnet Synchronous Condenser with Solid State Excitation: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, P.; Muljadi, E.; Wu, Z.; Gao, W.

    2015-04-07

    A typical synchronous condenser (SC) consists of a free-spinning, wound-field synchronous generator and a field excitation controller. In this paper, we propose an SC that employs a permanent magnet synchronous generator (PMSG) instead of a wound-field machine. PMSGs have the advantages of higher efficiency and reliability. In the proposed configuration, the reactive power control is achieved by a voltage converter controller connected in series to the PMSG. The controller varies the phase voltage of the PMSG and creates the same effect on the reactive power flow as that of an over- or underexcited wound-field machine. The controller’s output voltage magnitude controls the amount of the reactive power produced by the SC. The phase of the controller’s output is kept within a small variation from the grid voltage phase. This small phase variation is introduced so that a small amount of power can be drawn from the grid into the controller to maintain its DC bus voltage. Because the output voltage of the controller is only a fraction of the line voltage, its VA rating is only a fraction of the rating of the PMSG. The proposed scheme is shown to be effective by computer simulations.

  18. Effect of the nuclear medium on α -cluster excitation in 6Li

    Science.gov (United States)

    Yamagata, Tamio; Nakayama, Shintaro; Akimune, Hidetoshi; Miyamoto, Syuji

    2017-04-01

    suggest that in excitation of the α cluster in 6Li, the mass of the α cluster increases by 7 ±2 MeV , the size of the α cluster in 6Li is smaller than that of the free 4He by ˜20 % , and the width of the GDR is broader than that of 4He by 1.5 times owing to the nuclear medium effect.

  19. Nuclear Science in the Undergraduate Curriculum: The New Nuclear Science Facility at San Jose State University.

    Science.gov (United States)

    Ling, A. Campbell

    1979-01-01

    The following aspects of the radiochemistry program at San Jose State University in California are described: the undergraduate program in radiation chemistry, the new nuclear science facility, and academic programs in nuclear science for students not attending San Jose State University. (BT)

  20. Relaxation dynamics in the excited states of a ketocyanine dye ...

    Indian Academy of Sciences (India)

    propdienylaniline)-cyclopentanone (MPAC), a ketocyanine dye, have been investigated using steady-state absorption and emission as well as femtosecond time-resolved absorption spectroscopic techniques. Following photoexcitation using 400 ...

  1. Existence of excited states for a nonlinear Dirac equation

    Energy Technology Data Exchange (ETDEWEB)

    Balabane, M.; Cazenave, T.; Douady, A.; Merle, F.

    1988-01-21

    We prove the existence of infinitely many stationary states for the nonlinear Dirac equation. Seeking eigenfunctions splitted in spherical coordinates leads to analyse a nonautonomous dynamical system in R/sup 2/. The number of eigenfunctions is given by the number of intersections of the stable manifold of the origin with the curve of admissible data. This proves the existence of infinitely many stationary states ordered by the number of nodes of the components

  2. Effects of excited state mixing on transient absorption spectra in dimers Application to photosynthetic light-harvesting complex II

    CERN Document Server

    Valkunas, L; Trinkunas, G; Müller, M G; Holzwarth, A R

    1999-01-01

    The excited state mixing effect is taken into account considering the difference spectra of dimers. Both the degenerate (homo) dimer as well as the nondegenerate (hetero) dimer are considered. Due to the higher excited state mixing with the two-exciton states in the homodimer, the excited state absorption (or the difference spectrum) can be strongly affected in comparison with the results obtained in the Heitler-London approximation. The difference spectrum of the heterodimer is influenced by two resonance effects (i) mixing of the ground state optical transitions of both monomers in the dimer and (ii) mixing of the excited state absorption of the excited monomer with the ground state optical transition in the nonexcited monomer. These effects have been tested by simulating the difference absorption spectra of the light-harvesting complex of photosystem II (LHC II) experimentally obtained with the 60 fs excitation pulses at zero delay times and various excitation wavelengths. The pairs of coupled chlorophylls...

  3. Excited-State Dynamics of Melamine and Its Lysine Derivative Investigated by Femtosecond Transient Absorption Spectroscopy

    Directory of Open Access Journals (Sweden)

    Yuyuan Zhang

    2016-11-01

    Full Text Available Melamine may have been an important prebiotic information carrier, but its excited-state dynamics, which determine its stability under UV radiation, have never been characterized. The ability of melamine to withstand the strong UV radiation present on the surface of the early Earth is likely to have affected its abundance in the primordial soup. Here, we studied the excited-state dynamics of melamine (a proto-nucleobase and its lysine derivative (a proto-nucleoside using the transient absorption technique with a UV pump, and UV and infrared probe pulses. For melamine, the excited-state population decays by internal conversion with a lifetime of 13 ps without coupling significantly to any photochemical channels. The excited-state lifetime of the lysine derivative is slightly longer (18 ps, but the dominant deactivation pathway is otherwise the same as for melamine. In both cases, the vast majority of excited molecules return to the electronic ground state on the aforementioned time scales, but a minor population is trapped in a long-lived triplet state.

  4. Dynamics of charge-transfer excited states relevant to photochemical energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Lim, E.C.

    1991-11-01

    The primary objective of the research program is to gain a fundamental understanding of the factors governing the efficiency of excited-state charge transfer CT interactions between two chromophores that are brought together in close proximity, either by a very short covalent linkage or by ground-state complex formation. CT and van der Walls (vdW), interactions in covalently bonded bichromophoric compounds in condensed phase, as well as those in vdW complexes in supersonic jets, are being investigated using laser-based techniques under a variety of experimental conditions. This progress report is divided into three parts, according to the class of molecular systems and the phase (liquid vs. gas) in which the excited-state interactions are probed. The first is concerned with the excited states of bridged diaryl compounds in the condensed phase. The second involves the excited states of vdW complexes in supersonic jets. Finally, the third, is concerned with the excited states of electron donor-acceptor (EDA) systems in both the condensed phase and supersonic jets. In each of these studies, we are concerned with the interchromophore interactions ranging from weak vdW forces to strong CT forces, and the factors determining whether the interaction forces are weak or strong in related molecules.

  5. Doppler- and recoil-free laser excitation of Rydberg states via three-photon transitions

    OpenAIRE

    Ryabtsev, I. I.; Beterov, I. I.; Tretyakov, D. B.; Entin, V. M.; Yakshina, E. A.

    2011-01-01

    Three-photon laser excitation of Rydberg states by three different laser beams can be arranged in a star-like geometry that simultaneously eliminates the recoil effect and Doppler broadening. Our analytical and numerical calculations for a particular laser excitation scheme 5S_{1/2}->5P_{3/2}->6S_{1/2}->nP in Rb atoms have shown that compared to the one- and two-photon laser excitation this approach provides much narrower line width and longer coherence time for both cold atom samples and hot...

  6. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: vibrations and structure of its excited S(1)(π,π(*)) electronic state.

    Science.gov (United States)

    Shin, Hee Won; Ocola, Esther J; Kim, Sunghwan; Laane, Jaan

    2014-01-21

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S1(π,π(*)) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S0 and S1(π,π(*)) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S0 and S1(π,π(*)) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S1(π,π(*)) excited state.

  7. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S{sub 1}(π,π{sup *}) electronic state

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Hee Won; Ocola, Esther J.; Laane, Jaan, E-mail: laane@mail.chem.tamu.edu [Department of Chemistry, Texas A and M University, College Station, Texas 77843-3255 (United States); Kim, Sunghwan [National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, Maryland 20894 (United States)

    2014-01-21

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S{sub 1}(π,π{sup *}) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S{sub 0} and S{sub 1}(π,π{sup *}) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S{sub 0} and S{sub 1}(π,π{sup *}) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S{sub 1}(π,π{sup *}) excited state.

  8. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S1(π,π*) electronic state

    Science.gov (United States)

    Shin, Hee Won; Ocola, Esther J.; Kim, Sunghwan; Laane, Jaan

    2014-01-01

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S1(π,π*) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S0 and S1(π,π*) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S0 and S1(π,π*) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S1(π,π*) excited state. PMID:25669377

  9. Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: Vibrations and structure of its excited S1(π,π*) electronic state

    Science.gov (United States)

    Shin, Hee Won; Ocola, Esther J.; Kim, Sunghwan; Laane, Jaan

    2014-01-01

    The fluorescence excitation spectra of jet-cooled benzocyclobutane have been recorded and together with its ultraviolet absorption spectra have been used to assign the vibrational frequencies for this molecule in its S1(π,π*) electronic excited state. Theoretical calculations at the CASSCF(6,6)/aug-cc-pVTZ level of theory were carried out to compute the structure of the molecule in its excited state. The calculated structure was compared to that of the molecule in its electronic ground state as well as to the structures of related molecules in their S0 and S1(π,π*) electronic states. In each case the decreased π bonding in the electronic excited states results in longer carbon-carbon bonds in the benzene ring. The skeletal vibrational frequencies in the electronic excited state were readily assigned and these were compared to the ground state and to the frequencies of five similar molecules. The vibrational levels in both S0 and S1(π,π*) states were remarkably harmonic in contrast to the other bicyclic molecules. The decreases in the frequencies of the out-of-plane skeletal modes reflect the increased floppiness of these bicyclic molecules in their S1(π,π*) excited state.

  10. Rotationally resolved IR-diode laser studies of ground-state CO2 excited by collisions with vibrationally excited pyridine.

    Science.gov (United States)

    Johnson, Jeremy A; Kim, Kilyoung; Mayhew, Maurine; Mitchell, Deborah G; Sevy, Eric T

    2008-03-27

    Relaxation of highly vibrationally excited pyridine (C5NH5) by collisions with carbon dioxide has been investigated using diode laser transient absorption spectroscopy. Vibrationally hot pyridine (E' = 40,660 cm(-1)) was prepared by 248 nm excimer laser excitation followed by rapid radiationless relaxation to the ground electronic state. Pyridine then collides with CO2, populating the high rotational CO2 states with large amounts of translational energy. The CO2 nascent rotational population distribution of the high-J (J = 58-80) tail of the 00(0)0 state was probed at short times following the excimer laser pulse to measure rate constants and probabilities for collisions populating these CO2 rotational states. Doppler spectroscopy was used to measure the CO2 recoil velocity distribution for J = 58-80 of the 00(0)0 state. The energy-transfer distribution function, P(E,E'), from E' - E approximately 1300-7000 cm(-1) was obtained by re-sorting the state-indexed energy-transfer probabilities as a function of DeltaE. P(E,E') is fit to an exponential or biexponential function to determine the average energy transferred in a single collision between pyridine and CO2. Also obtained are fit parameters that can be compared to previously studied systems (pyrazine, C6F6, methylpyrazine, and pyrimidine/CO2). Although the rotational and translational temperatures that describe pyridine/CO2 energy transfer are similar to previous systems, the energy-transfer probabilities are much smaller. P(E,E') fit parameters for pyridine/CO2 and the four previously studied systems are compared to various donor molecular properties. Finally, P(E,E') is analyzed in the context of two models, one indicating that P(E,E') shape is primarily determined by the low-frequency out-of-plane donor vibrational modes, and the other that indicates that P(E,E') shape can be determined from how the donor molecule final density of states changes with DeltaE.

  11. Excited-state annihilation reduces power dependence of single-molecule FRET experiments.

    Science.gov (United States)

    Nettels, Daniel; Haenni, Dominik; Maillot, Sacha; Gueye, Moussa; Barth, Anders; Hirschfeld, Verena; Hübner, Christian G; Léonard, Jérémie; Schuler, Benjamin

    2015-12-28

    Single-molecule Förster resonance energy transfer (FRET) experiments are an important method for probing biomolecular structure and dynamics. The results from such experiments appear to be surprisingly independent of the excitation power used, in contradiction to the simple photophysical mechanism usually invoked for FRET. Here we show that excited-state annihilation processes are an essential cause of this behavior. Singlet-singlet annihilation (SSA) is a mechanism of fluorescence quenching induced by Förster-type energy transfer between two fluorophores while they are both in their first excited singlet states (S1S1), which is usually neglected in the interpretation of FRET experiments. However, this approximation is only justified in the limit of low excitation rates. We demonstrate that SSA is evident in fluorescence correlation measurements for the commonly used FRET pair Alexa 488/Alexa 594, with a rate comparable to the rate of energy transfer between the donor excited state and the acceptor ground state (S1S0) that is exploited in FRET experiments. Transient absorption spectroscopy shows that SSA occurs exclusively via energy transfer from Alexa 488 to Alexa 594. Excitation-power dependent microsecond correlation experiments support the conclusion based on previously reported absorption spectra of triplet states that singlet-triplet annihilation (STA) analogously mediates energy transfer if the acceptor is in the triplet state. The results indicate that both SSA and STA have a pronounced effect on the overall FRET process and reduce the power dependence of the observed FRET efficiencies. The existence of annihilation processes thus seems to be essential for using FRET as a reliable spectroscopic ruler at the high excitation rates commonly employed in single-molecule spectroscopy.

  12. Excited electronic states from a variational approach based on symmetry-projected Hartree--Fock configurations

    CERN Document Server

    Jiménez-Hoyos, Carlos A; Scuseria, Gustavo E

    2013-01-01

    Recent work from our research group has demonstrated that symmetry-projected Hartree--Fock (HF) methods provide a compact representation of molecular ground state wavefunctions based on a superposition of non-orthogonal Slater determinants. The symmetry-projected ansatz can account for static correlations in a computationally efficient way. Here we present a variational extension of this methodology applicable to excited states of the same symmetry as the ground state. Benchmark calculations on the C$_2$ dimer with a modest basis set, which allows comparison with full configuration interaction results, indicate that this extension provides a high quality description of the low-lying spectrum for the entire dissociation profile. We apply the same methodology to obtain the full low-lying vertical excitation spectrum of formaldehyde, in good agreement with available theoretical and experimental data, as well as to a challenging model $C_{2v}$ insertion pathway for BeH$_2$. The variational excited state methodolo...

  13. Tracking excited-state charge and spin dynamics in iron coordination complexes

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Alonso-Mori, Roberto; Bergmann, Uwe

    2014-01-01

    Crucial to many light-driven processes in transition metal complexes is the absorption and dissipation of energy by 3d electrons(1-4). But a detailed understanding of such non-equilibrium excited-state dynamics and their interplay with structural changes is challenging: a multitude of excited...... states and possible transitions result in phenomena too complex to unravel when faced with the indirect sensitivity of optical spectroscopy to spin dynamics(5) and the flux limitations of ultrafast X-ray sources(6,7). Such a situation exists for archetypal poly-pyridyl iron complexes, such as [Fe(2......,2'-bipyridine)(3)](2+), where the excited-state charge and spin dynamics involved in the transition from a low-to a high-spin state (spin crossover) have long been a source of interest and controversy(6-15). Here we demonstrate that femtosecond resolution X-ray fluorescence spectroscopy, with its sensitivity...

  14. Vibronic resonances sustain excited state coherence in light harvesting proteins at room temperature

    CERN Document Server

    Novelli, Fabio; Roozbeh, Ashkan; Wilk, Krystyna E; Curmi, Paul M G; Davis, Jeffrey A

    2015-01-01

    Until recently it was believed that photosynthesis, a fundamental process for life on earth, could be fully understood with semi-classical models. However, puzzling quantum phenomena have been observed in several photosynthetic pigment-protein complexes, prompting questions regarding the nature and role of these effects. Recent attention has focused on discrete vibrational modes that are resonant or quasi-resonant with excitonic energy splittings and strongly coupled to these excitonic states. Here we report a series of experiments that unambiguously identify excited state coherent superpositions that dephase on the timescale of the excited state lifetime. Low energy (56 cm-1) oscillations on the signal intensity provide direct experimental evidence for the role of vibrational modes resonant with excitonic splittings in sustaining coherences involving different excited excitonic states at physiological temperature.

  15. Quantum Entanglement and Shannon Information Entropy for the Doubly Excited Resonance State in Positronium Negative Ion

    Directory of Open Access Journals (Sweden)

    Chien-Hao Lin

    2015-09-01

    Full Text Available In the present work, we report an investigation on quantum entanglement in the doubly excited 2s2 1Se resonance state of the positronium negative ion by using highly correlated Hylleraas type wave functions, determined by calculation of the density of resonance states with the stabilization method. Once the resonance wave function is obtained, the spatial (electron-electron orbital entanglement entropies (von Neumann and linear can be quantified using the Schmidt decomposition method. Furthermore, Shannon entropy in position space, a measure for localization (or delocalization for such a doubly excited state, is also calculated.

  16. Shannon information entropy in position space for doubly excited states of helium with finite confinements

    Science.gov (United States)

    Ou, Jen-Hao; Ho, Yew Kam

    2017-12-01

    Quantifying electron localization in quantum confined systems remains challenging, especially for excited states. A quantum dot (QD) is represented by a helium atom in a finite oscillator potential. The effect of dot width variation on the electron localization in QD is systematically examined via Shannon entropy for low-lying doubly excited states (2s21Se, 2p21Se, 2s3s 1Se) obtained using highly correlated Hylleraas functions. In particular, the most effective dot width where the electron density is the most localized is determined successfully and justified by the electron density plot for all three states.

  17. Comparison of nuclear electric resonance and nuclear magnetic resonance in integer and fractional quantum Hall states

    Directory of Open Access Journals (Sweden)

    Toru Tomimatsu

    2015-08-01

    Full Text Available Electric-field-induced nuclear resonance (NER: nuclear electric resonance involving quantum Hall states (QHSs was studied at various filling factors by exploiting changes in nuclear spins polarized at quantum Hall breakdown. Distinct from the magnetic dipole interaction in nuclear magnetic resonance, the interaction of the electric-field gradient with the electric quadrupole moment plays the dominant role in the NER mechanism. The magnitude of the NER signal strongly depends on whether electronic states are localized or extended. This indicates that NER is sensitive to the screening capability of the electric field associated with QHSs.

  18. Resonant coherent excitation of hydrogen-like ions planar channeled in a crystal; Transition into the first excited state

    Science.gov (United States)

    Babaev, A.; Pivovarov, Yu. L.

    2012-03-01

    The presented program is designed to simulate the characteristics of resonant coherent excitation of hydrogen-like ions planar-channeled in a crystal. The program realizes the numerical algorithm to solve the Schrödinger equation for the ion-bound electron at a special resonance excitation condition. The calculated wave function of the bound electron defines probabilities for the ion to be in the either ground or first excited state, or to be ionized. Finally, in the outgoing beam the fractions of ions in the ground state, in the first excited state, and ionized by collisions with target electrons, are defined. The program code is written on C++ and is designed for multiprocessing systems (clusters). The output data are presented in the table. Program summaryProgram title: RCE_H-like_1 Catalogue identifier: AEKX_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKX_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2813 No. of bytes in distributed program, including test data, etc.: 34 667 Distribution format: tar.gz Programming language: C++ (g++, icc compilers) Computer: Multiprocessor systems (clusters) Operating system: Any OS based on LINUX; program was tested under Novell SLES 10 Has the code been vectorized or parallelized?: Yes. Contains MPI directives RAM: C++, Intel C++ compilers Nature of problem: When relativistic hydrogen-like ion moves in the crystal in the planar channeling regime, in the ion rest frame the time-periodic electric field acts on the bound electron. If the frequency of this field matches the transition frequency between electronic energy levels, the resonant coherent excitation can take place. Therefore, ions in the different states may be observed in the outgoing beam behind the crystal. To get the probabilities for the ion to be

  19. Structural Influence on Excited State Dynamics in Simple Amines

    DEFF Research Database (Denmark)

    Klein, Liv Bærenholdt

    experiments with calculations, provides new insight into the nature of the internal conversion processes that mediate the dynamical evolution between Rydberg states, and how structural variations in simple amine system have a large impact on the non-adiabatic processes. The experimental method of choice......Simple amines are basic model system of nitrogen-containing chromophores that appear widely in nature. They are also ideal systems for detailed investigation of nonadiabatic dynamical processes and ultrafast temporal evolution of electronic states of the Rydberg type. This investigation, combining...... and sensitive collection of photoelectron spectra. In particular, the angleresolved data available from the VMI approach provides highly detailed mechanistic insight about the relaxation pathways. One striking novel nding is that for tertiary amines, the critical factor driving the non-adiabatic dynamics...

  20. Switching of the triplet excited state of rhodamine-C60 dyads.

    Science.gov (United States)

    Wang, Fen; Cui, Xiaoneng; Lou, Zhangrong; Zhao, Jianzhang; Bao, Ming; Li, Xingwei

    2014-12-21

    Acid-switching of the triplet excited state in rhodamine-C60 dyads was achieved. The rhodamine moiety acts as an acid-activated visible light-harvesting antenna and C60 as the singlet energy acceptor and the spin converter, and production of the triplet state was enhanced in the presence of acid.

  1. Electron impact excitation of the D states of Mg, Ca and Sr atoms ...

    Indian Academy of Sciences (India)

    We have used non-relativistic and relativistic distorted wave approximation methods to study the excitation of the 1 states of magnesium ( = 3), calcium ( = 4) and strontium ( = 5) from the ground 1 state. Calculations have been performed for the complete set of parameters ( , L ~ ⊥ + , L ~ ⊥ − , ~ + , ~ − ) .

  2. Thermality and excited state Rényi entropy in two-dimensional CFT

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Feng-Li [Department of Physics, National Taiwan Normal University,Taipei 11677, Taiwan (China); Wang, Huajia [Department of Physics, University of Illinois,Urbana-Champaign, IL 61801 (United States); Zhang, Jia-ju [Dipartimento di Fisica, Università degli Studi di Milano-Bicocca,Piazza della Scienza 3, I-20126 Milano (Italy); Theoretical Physics Division, Institute of High Energy Physics, Chinese Academy of Sciences,19B Yuquan Rd, Beijing 100049 (China); Theoretical Physics Center for Science Facilities, Chinese Academy of Sciences,19B Yuquan Rd, Beijing 100049 (China)

    2016-11-21

    We evaluate one-interval Rényi entropy and entanglement entropy for the excited states of two-dimensional conformal field theory (CFT) on a cylinder, and examine their differences from the ones for the thermal state. We assume the interval to be short so that we can use operator product expansion (OPE) of twist operators to calculate Rényi entropy in terms of sum of one-point functions of OPE blocks. We find that the entanglement entropy for highly excited state and thermal state behave the same way after appropriate identification of the conformal weight of the state with the temperature. However, there exists no such universal identification for the Rényi entropy in the short-interval expansion. Therefore, the highly excited state does not look thermal when comparing its Rényi entropy to the thermal state one. As the Rényi entropy captures the higher moments of the reduced density matrix but the entanglement entropy only the average, our results imply that the emergence of thermality depends on how refined we look into the entanglement structure of the underlying pure excited state.

  3. ARTICLE Volume-conserved Twist Excited-state of π-Conjugated Molecules

    Science.gov (United States)

    Sun, Qin-chao; Liu, Jian-yong; Hao, Yan; Yang, Xi-chuan

    2010-12-01

    The excited state characters of HY103 have been studied by means of time-resolved photon emission (time-correlated single photon counting) and time dependent density functional theory calculations. The experimental and theoretical results demonstrate that HY103 dyes undergo an efficient one-bond-flip motion after photoexicitation at room temperature, which leads to a very short lifetime of the normal fluorescence state, and a weak fluorescence emission around 670 nm. However, when HY103 are excited in amorphous glasses at 77 K, the normal fluorescence emission is prolonged to nanoseconds time scale about 2 ns, and the fluorescence emission is enhanced. Furthermore, a new emission state is produced, which is characterized as a volume-conserved twisted (VCT) state. This is the first observation of a VCT state. The experiment indicates that the VCT motion of excited state of π-conjugated molecules in restricted environment can form a stable emission state, and the excited state character of π-conjugated molecules in restricted environment is complex.

  4. Relativistic and correlated calculations on the ground, excited, and ionized states of iodine

    NARCIS (Netherlands)

    de Jong, W.A.; Visscher, L; Nieuwpoort, W.C

    1997-01-01

    The electronic structure, spectroscopic, and bonding properties of the ground, excited, and ionized states of iodine are studied within a four-component relativistic framework using the MOLFDIR program package, The experimentally determined properties of the (1) Sigma(g)(+) ground state are well

  5. Investigations into photo-excited state dynamics in colloidal quantum dots

    Science.gov (United States)

    Singh, Gaurav

    Colloidal Quantum dots (QDs) have garnered considerable scientific and technological interest as a promising material for next generation solar cells, photo-detectors, lasers, bright light-emitting diodes (LEDs), and reliable biomarkers. However, for practical realization of these applications, it is crucial to understand the complex photo-physics of QDs that are very sensitive to surface chemistry and chemical surroundings. Depending on the excitation density, QDs can support single or multiple excitations. The first part of this talk addresses evolution of QD excited state dynamics in the regime of low excitation intensity. We use temperature-resolved time-resolved fluorescence spectroscopy to study exciton dynamics from picoseconds to microseconds and use kinetic modeling based on classical electron transfer to show the effect of surface trap states on dynamics of ground-state exciton manifold in core-shell CdSe/CdS QDs. We show that the thickness of CdS shell plays an important role in interaction of CdSe core exciton states with nanocrystal environment, and find that a thicker shell can minimize the mixing of QD exciton states with surface trap states. I will then present an investigation into the dynamics of multiply-excited states in QDs. One of the key challenges in QD spectroscopy is to reliably distinguish multi- from single-excited states that have similar lifetime components and spectroscopic signatures. I will describe the development of a novel multi-pulse fluorescence technique to selectively probe multi-excited states in ensemble QD samples and determine the nature of the multi-excited state contributing to the total fluorescence even in the limit of low fluorescent yields. We find that in our sample of CdSe/CdS core/shell QDs the multi-excited emission is dominated by emissive trion states rather than biexcitons. Next, I will discuss the application of this technique to probe exciton-plasmon coupling in layered hybrid films of QD/gold nanoparticles

  6. Excited-state dynamics of mononucleotides and DNA strands in a deep eutectic solvent.

    Science.gov (United States)

    Zhang, Yuyuan; de La Harpe, Kimberly; Hariharan, Mahesh; Kohler, Bern

    2018-01-31

    The photophysics of several mono- and oligonucleotides were investigated in a deep eutectic solvent for the first time. The solvent glyceline, prepared as a 1 : 2 mole ratio mixture of choline chloride and glycerol, was used to study excited-state deactivation in a non-aqueous solvent by the use of steady-state and time-resolved spectroscopy. DNA strands in glyceline retain the secondary structures that are present in aqueous solution to some degree, thus enabling a study of the effects of solvent properties on the excited states of stacked bases and stacked base pairs. The excited-state lifetime of the mononucleotide 5'-AMP in glyceline is 630 fs, or twice as long as in aqueous solution. Even slower relaxation is seen for 5'-TMP in glyceline, and a possible triplet state with a lifetime greater than 3 ns is observed. Circular dichroism spectra show that the single strand (dA)18 and the duplex d(AT)9·d(AT)9 adopt similar structures in glyceline and in aqueous solution. Despite having similar conformations in both solvents, femtosecond transient absorption experiments reveal striking changes in the dynamics. Excited-state decay and vibrational cooling generally take place more slowly in glyceline than in water. Additionally, the fraction of long-lived excited states in both oligonucleotide systems is lower in glyceline than in aqueous solution. For a DNA duplex, water is suggested to favor decay pathways involving intrastrand charge separation, while the deep eutectic solvent favors interstrand deactivation channels involving neutral species. Slower solvation dynamics in the viscous deep eutectic solvent may also play a role. These results demonstrate that the dynamics of excitations in stacked bases and stacked base pairs depend not only on conformation, but are also highly sensitive to the solvent.

  7. Production of excited beauty states in Z decays

    CERN Document Server

    Buskulic, Damir; De Bonis, I; Décamp, D; Ghez, P; Goy, C; Lees, J P; Lucotte, A; Minard, M N; Odier, P; Pietrzyk, B; Ariztizabal, F; Chmeissani, M; Crespo, J M; Efthymiopoulos, I; Fernández, E; Fernández-Bosman, M; Gaitan, V; Garrido, L; Martínez, M; Orteu, S; Pacheco, A; Padilla, C; Palla, Fabrizio; Pascual, A; Perlas, J A; Sánchez, F; Teubert, F; Colaleo, A; Creanza, D; De Palma, M; Farilla, A; Gelao, G; Girone, M; Iaselli, Giuseppe; Maggi, G; Maggi, M; Marinelli, N; Natali, S; Nuzzo, S; Ranieri, A; Raso, G; Romano, F; Ruggieri, F; Selvaggi, G; Silvestris, L; Tempesta, P; Zito, G; Huang, X; Lin, J; Ouyang, Q; Wang, T; Xie, Y; Xu, R; Xue, S; Zhang, J; Zhang, L; Zhao, W; Bonvicini, G; Cattaneo, M; Comas, P; Coyle, P; Drevermann, H; Engelhardt, A; Forty, Roger W; Frank, M; Hagelberg, R; Harvey, J; Jacobsen, R; Janot, P; Jost, B; Knobloch, J; Lehraus, Ivan; Markou, C; Martin, E B; Mato, P; Meinhard, H; Minten, Adolf G; Miquel, R; Oest, T; Palazzi, P; Pater, J R; Pusztaszeri, J F; Ranjard, F; Rensing, P E; Rolandi, Luigi; Schlatter, W D; Schmelling, M; Schneider, O; Tejessy, W; Tomalin, I R; Venturi, A; Wachsmuth, H W; Wiedenmann, W; Wildish, T; Witzeling, W; Wotschack, J; Ajaltouni, Ziad J; Bardadin-Otwinowska, Maria; Barrès, A; Boyer, C; Falvard, A; Gay, P; Guicheney, C; Henrard, P; Jousset, J; Michel, B; Monteil, S; Montret, J C; Pallin, D; Perret, P; Podlyski, F; Proriol, J; Rossignol, J M; Saadi, F; Fearnley, Tom; Hansen, J B; Hansen, J D; Hansen, J R; Hansen, P H; Nilsson, B S; Kyriakis, A; Simopoulou, Errietta; Siotis, I; Vayaki, Anna; Zachariadou, K; Blondel, A; Bonneaud, G R; Brient, J C; Bourdon, P; Passalacqua, L; Rougé, A; Rumpf, M; Tanaka, R; Valassi, Andrea; Verderi, M; Videau, H L; Candlin, D J; Parsons, M I; Focardi, E; Parrini, G; Corden, M; Delfino, M C; Georgiopoulos, C H; Jaffe, D E; Antonelli, A; Bencivenni, G; Bologna, G; Bossi, F; Campana, P; Capon, G; Chiarella, V; Felici, G; Laurelli, P; Mannocchi, G; Murtas, F; Murtas, G P; Pepé-Altarelli, M; Dorris, S J; Halley, A W; ten Have, I; Knowles, I G; Lynch, J G; Morton, W T; O'Shea, V; Raine, C; Reeves, P; Scarr, J M; Smith, K; Smith, M G; Thompson, A S; Thomson, F; Thorn, S; Turnbull, R M; Becker, U; Braun, O; Geweniger, C; Graefe, G; Hanke, P; Hepp, V; Kluge, E E; Putzer, A; Rensch, B; Schmidt, M; Sommer, J; Stenzel, H; Tittel, K; Werner, S; Wunsch, M; Beuselinck, R; Binnie, David M; Cameron, W; Colling, D J; Dornan, Peter J; Konstantinidis, N P; Moneta, L; Moutoussi, A; Nash, J; San Martin, G; Sedgbeer, J K; Stacey, A M; Dissertori, G; Girtler, P; Kneringer, E; Kuhn, D; Rudolph, G; Bowdery, C K; Brodbeck, T J; Colrain, P; Crawford, G; Finch, A J; Foster, F; Hughes, G; Sloan, Terence; Whelan, E P; Williams, M I; Galla, A; Greene, A M; Kleinknecht, K; Quast, G; Raab, J; Renk, B; Sander, H G; Wanke, R; Zeitnitz, C; Aubert, Jean-Jacques; Bencheikh, A M; Benchouk, C; Bonissent, A; Bujosa, G; Calvet, D; Carr, J; Diaconu, C A; Etienne, F; Thulasidas, M; Nicod, D; Payre, P; Rousseau, D; Talby, M; Abt, I; Assmann, R W; Bauer, C; Blum, Walter; Brown, D; Dietl, H; Dydak, Friedrich; Ganis, G; Gotzhein, C; Jakobs, K; Kroha, H; Lütjens, G; Lutz, Gerhard; Männer, W; Moser, H G; Richter, R H; Rosado-Schlosser, A; Schael, S; Settles, Ronald; Seywerd, H C J; Stierlin, U; Saint-Denis, R; Wolf, G; Alemany, R; Boucrot, J; Callot, O; Cordier, A; Courault, F; Davier, M; Duflot, L; Grivaz, J F; Heusse, P; Jacquet, M; Kim, D W; Le Diberder, F R; Lefrançois, J; Lutz, A M; Musolino, G; Nikolic, I A; Park, H J; Park, I C; Schune, M H; Simion, S; Veillet, J J; Videau, I; Abbaneo, D; Azzurri, P; Bagliesi, G; Batignani, G; Bettarini, S; Bozzi, C; Calderini, G; Carpinelli, M; Ciocci, M A; Ciulli, V; Dell'Orso, R; Fantechi, R; Ferrante, I; Foà, L; Forti, F; Giassi, A; Giorgi, M A; Gregorio, A; Ligabue, F; Lusiani, A; Marrocchesi, P S; Messineo, A; Rizzo, G; Sanguinetti, G; Sciabà, A; Spagnolo, P; Steinberger, Jack; Tenchini, Roberto; Tonelli, G; Triggiani, G; Vannini, C; Verdini, P G; Walsh, J; Betteridge, A P; Blair, G A; Bryant, L M; Cerutti, F; Gao, Y; Green, M G; Johnson, D L; Medcalf, T; Mir, L M; Perrodo, P; Strong, J A; Bertin, V; Botterill, David R; Clifft, R W; Edgecock, T R; Haywood, S; Edwards, M; Maley, P; Norton, P R; Thompson, J C; Bloch-Devaux, B; Colas, P; Duarte, H; Emery, S; Kozanecki, Witold; Lançon, E; Lemaire, M C; Locci, E; Marx, B; Pérez, P; Rander, J; Renardy, J F; Rossowsky, A; Roussarie, A; Schuller, J P; Schwindling, J; Si Mohand, D; Trabelsi, A; Vallage, B; Johnson, R P; Kim, H Y; Litke, A M; McNeil, M A; Taylor, G; Beddall, A; Booth, C N; Boswell, R; Cartwright, S L; Combley, F; Dawson, I; Köksal, A; Letho, M; Newton, W M; Rankin, C; Thompson, L F; Böhrer, A; Brandt, S; Cowan, G D; Feigl, E; Grupen, Claus; Lutters, G; Minguet-Rodríguez, J A; Rivera, F; Saraiva, P; Smolik, L; Van Gemmeren, P; Apollonio, M; Bosisio, L; Della Marina, R; Giannini, G; Gobbo, B; Ragusa, F; Rothberg, J E; Wasserbaech, S R; Armstrong, S R; Bellantoni, L; Elmer, P; Feng, Z; Ferguson, D P S; Gao, Y S; González, S; Grahl, J; Harton, J L; Hayes, O J; Hu, H; McNamara, P A; Nachtman, J M; Orejudos, W; Pan, Y B; Saadi, Y; Schmitt, M; Scott, I J; Sharma, V; Turk, J; Walsh, A M; Wu Sau Lan; Wu, X; Yamartino, J M; Zheng, M; Zobernig, G

    1996-01-01

    A data sample of about 3.0 million hadronic Z decays collected by the ALEPH experiment at LEP in the years 1991 through 1994, is used to make an inclusive selection of B~hadron events. In this event sample 4227 \\pm 140 \\pm 252 B^* mesons in the decay B^* \\to B \\gamma and 1944 \\pm 108 \\pm 161 B^{**} mesons decaying into a B~meson and a charged pion are reconstructed. For the well established B^* meson the following quantities areobtained: \\Delta M = M_{B^*} - M_{B} = (45.30\\pm 0.35\\pm 0.87)~\\mathrm{MeV}/c^2 and N_{B^*}/(N_B+N_{B^*}) = (77.1 \\pm 2.6 \\pm 7.0)\\%. The angular distribution of the photons in the B^* rest frame is used to measure the relative contribution of longitudinal B^* polarization states to be \\sigma_L/(\\sigma_L + \\sigma_T)= (33 \\pm 6 \\pm 5)\\%. \\\\ Resonance structure in the M(B\\pi)-M(B) mass difference is observed at (424 \\pm 4 \\pm 10)~\\mathrm{MeV}/c^2. Its shape and position is in agreement with the expectation for B^{**}_{u,d} states decaying into B_{u,d}^{(*)} \\pi^\\pm. The signal is therefo...

  8. Transient Development of Excited State Densities in Atomic Helium Plasmas

    Science.gov (United States)

    1976-03-01

    n s t i t u e n t s caus ing a t . ransfer to bound e l e c t r o n s b e t w e e n the l o w - l y i n g s t a t e s and u p p e r s t a t...r y and t h e s e a r e d i s c u s s e d in de ta i l . 4.1 ENERGY LEVELS The h e l i u m e n e r g y l e v e l s u s e d in th i s s...e t h e n d e t e r m i n e d f r o m t h e s e v a l u e s . 4] AEDC-TR-76-5 Table 1. Helium Energy Lwel$ State g E (i/cm) State g E (i

  9. Bound States in the Continuum in Nuclear and Hadron Physics

    CERN Document Server

    Lenske, H; Cao, Xu

    2015-01-01

    The population of bound states in the continuum and their spectral properties are studied on the nuclear and hadronic scale. The theoretical approach is presented and realizations in nuclear and charmonium spectroscopy are dis- cussed. The universality of the underlying dynamical principles is pointed out. Applications to nuclear systems at the neutron dripline and for charmonium spectroscopy by $e^- e^+ \\to D\\bar{D}$ production are discussed.

  10. Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes.

    Science.gov (United States)

    Fayet, Guillaume; Jacquemin, Denis; Wathelet, Valérie; Perpète, Eric A; Rotureau, Patricia; Adamo, Carlo

    2010-02-26

    This work presents a quantitative structure-property relationship (QSPR)-based approach allowing an accurate prediction of the excited-state properties of organic dyes (anthraquinones and azobenzenes) from ground-state molecular descriptors, obtained within the (conceptual) density functional theory (DFT) framework. The ab initio computation of the descriptors was achieved at several levels of theory, so that the influence of the basis set size as well as of the modeling of environmental effects could be statistically quantified. It turns out that, for the entire data set, a statistically-robust four-variable multiple linear regression based on PCM-PBE0/6-31G calculations delivers a R(adj)(2) of 0.93 associated to predictive errors allowing for rapid and efficient dye design. All the selected descriptors are independent of the dye's family, an advantage over previously designed QSPR schemes. On top of that, the obtained accuracy is comparable to the one of the today's reference methods while exceeding the one of hardness-based fittings. QSPR relationships specific to both families of dyes have also been built up. This work paves the way towards reliable and computationally affordable color design for organic dyes. Copyright 2009 Elsevier Inc. All rights reserved.

  11. Energy-Looping Nanoparticles: Harnessing Excited-State Absorption for Deep-Tissue Imaging.

    Science.gov (United States)

    Levy, Elizabeth S; Tajon, Cheryl A; Bischof, Thomas S; Iafrati, Jillian; Fernandez-Bravo, Angel; Garfield, David J; Chamanzar, Maysamreza; Maharbiz, Michel M; Sohal, Vikaas S; Schuck, P James; Cohen, Bruce E; Chan, Emory M

    2016-09-27

    Near infrared (NIR) microscopy enables noninvasive imaging in tissue, particularly in the NIR-II spectral range (1000-1400 nm) where attenuation due to tissue scattering and absorption is minimized. Lanthanide-doped upconverting nanocrystals are promising deep-tissue imaging probes due to their photostable emission in the visible and NIR, but these materials are not efficiently excited at NIR-II wavelengths due to the dearth of lanthanide ground-state absorption transitions in this window. Here, we develop a class of lanthanide-doped imaging probes that harness an energy-looping mechanism that facilitates excitation at NIR-II wavelengths, such as 1064 nm, that are resonant with excited-state absorption transitions but not ground-state absorption. Using computational methods and combinatorial screening, we have identified Tm(3+)-doped NaYF4 nanoparticles as efficient looping systems that emit at 800 nm under continuous-wave excitation at 1064 nm. Using this benign excitation with standard confocal microscopy, energy-looping nanoparticles (ELNPs) are imaged in cultured mammalian cells and through brain tissue without autofluorescence. The 1 mm imaging depths and 2 μm feature sizes are comparable to those demonstrated by state-of-the-art multiphoton techniques, illustrating that ELNPs are a promising class of NIR probes for high-fidelity visualization in cells and tissue.

  12. Structural Monitoring of the Onset of Excited-State Aromaticity in a Liquid Crystal Phase.

    Science.gov (United States)

    Hada, Masaki; Saito, Shohei; Tanaka, Sei'ichi; Sato, Ryuma; Yoshimura, Masahiko; Mouri, Kazuhiro; Matsuo, Kyohei; Yamaguchi, Shigehiro; Hara, Mitsuo; Hayashi, Yasuhiko; Röhricht, Fynn; Herges, Rainer; Shigeta, Yasuteru; Onda, Ken; Miller, R J Dwayne

    2017-11-08

    Aromaticity of photoexcited molecules is an important concept in organic chemistry. Its theory, Baird's rule for triplet aromaticity since 1972 gives the rationale of photoinduced conformational changes and photochemical reactivities of cyclic π-conjugated systems. However, it is still challenging to monitor the dynamic structural change induced by the excited-state aromaticity, particularly in condensed materials. Here we report direct structural observation of a molecular motion and a subsequent packing deformation accompanied by the excited-state aromaticity. Photoactive liquid crystal (LC) molecules featuring a π-expanded cyclooctatetraene core unit are orientationally ordered but loosely packed in a columnar LC phase, and therefore a photoinduced conformational planarization by the excited-state aromaticity has been successfully observed by time-resolved electron diffractometry and vibrational spectroscopy. The structural change took place in the vicinity of excited molecules, producing a twisted stacking structure. A nanoscale torque driven by the excited-state aromaticity can be used as the working mechanism of new photoresponsive materials.

  13. Investigation of two-photon absorption induced excited state absorption in a fluorenyl-based chromophore.

    Science.gov (United States)

    Li, Changwei; Yang, Kun; Feng, Yan; Su, Xinyan; Yang, Junyi; Jin, Xiao; Shui, Min; Wang, Yuxiao; Zhang, Xueru; Song, Yinglin; Xu, Hongyao

    2009-12-03

    Two-photon absorption induced excited state absorption in the solution of a new fluorenyl-based chromophore is investigated by a time-resolved pump-probe technique using femtosecond pulses. With the help of an additional femtosecond open-aperture Z-scan technique, numerical simulations based on a three-energy level model are used to interpret the experimental results, and we determine the nonlinear optical parameters of this new chromophore uniquely. Large two-photon absorption cross section and excited state absorption cross section for singlet excited state are obtained, indicating a good candidate for optical limiting devices. Moreover, the influence of two-beam coupling induced energy transfer in neat N,N'-dimethylformamide solvent is also considered, although this effect is strongly restrained by the instantaneous two-photon absorption.

  14. Determination and Comparison of Carbonyl Stretching Frequency of a Ketone in Its Ground State and the First Electronic Excited State

    Science.gov (United States)

    Bandyopadhyay, Subhajit; Roy, Saswata

    2014-01-01

    This paper describes an inexpensive experiment to determine the carbonyl stretching frequency of an organic keto compound in its ground state and first electronic excited state. The experiment is simple to execute, clarifies some of the fundamental concepts of spectroscopy, and is appropriate for a basic spectroscopy laboratory course. The…

  15. Liquid-state nuclear spin comagnetometers

    CERN Document Server

    Ledbetter, Micah; Budker, Dmitry; Romalis, Michael; Blanchard, John; Pines, Alex

    2012-01-01

    We discuss nuclear spin comagnetometers based on ultra-low-field nuclear magnetic resonance in mixtures of miscible solvents, each rich in a different nuclear spin. In one version thereof, Larmor precession of protons and ${\\rm ^{19}F}$ nuclei in a mixture of thermally polarized pentane and hexafluorobenzene is monitored via a sensitive alkali-vapor magnetometer. We realize transverse relaxation times in excess of 20 s and suppression of magnetic field fluctuations by a factor of 3400. We estimate it should be possible to achieve single-shot sensitivity of about $5\\times{\\rm 10^{-9} Hz}$, or about $5\\times 10^{-11} {\\rm Hz}$ in $\\approx 1$ day of integration. In a second version, spin precession of protons and ${\\rm ^{129}Xe}$ nuclei in a mixture of pentane and hyperpolarized liquid xenon is monitored using superconducting quantum interference devices. Application to spin-gravity experiments, electric dipole moment experiments, and sensitive gyroscopes are discussed.

  16. United States nuclear tests, July 1945 through September 1992

    Energy Technology Data Exchange (ETDEWEB)

    1994-12-01

    This document lists chronologically and alphabetically by name all nuclear tests and simultaneous detonations conducted by the United States from July 1945 through September 1992. Several tests conducted during Operation Dominic involved missile launches from Johnston Atoll. Several of these missile launches were aborted, resulting in the destruction of the missile and nuclear device either on the pad or in the air.

  17. Should the United States Maintain the Nuclear Triad?

    Science.gov (United States)

    2010-01-01

    nuclear abolitionists are a number of varying opinions. Some—such as Richard Branson and Queen Noor of Jordan, who ascribe to global zero—support a...until the United States ultimately disarms.3 Some past and present members of the military leadership hold a view that supports the nuclear arsenal

  18. Excited states behavior of nucleobases in solution: insights from computational studies.

    Science.gov (United States)

    Improta, Roberto; Barone, Vincenzo

    2015-01-01

    We review the most significant results obtained in the study of isolated nucleobases in solution by quantum mechanical methods, trying to highlight also the most relevant open issues. We concisely discuss some methodological issues relevant to the study of molecular electronic excited molecular states in condensed phases, focussing on the methods most commonly applied to the study of nucleobases, i.e. continuum models as the Polarizable Continuum Model and explicit solvation models. We analyse how the solvent changes the relative energy of the lowest energy excited states in the Franck-Condon region, their minima and the Conical Intersections among the different states, interpreting the experimental optical spectra, both steady state and time-resolved. Several methods are available for accurately including solvent effects in the Franck-Condon region, and for most of the nucleobases the solvent shift on the different excited states can be considered assessed. The study of the excited state decay, both radiative and non-radiative, in solution still poses instead significant theoretical challenges.

  19. Surface-catalyzed recombination into excited electronic, vibrational, rotational, and kinetic energy states: A review

    Science.gov (United States)

    Kofsky, I. L.; Barrett, J. L.

    1985-01-01

    Laboratory experiments in which recombined CO, CO2, D2O, OH, N2, H2, and O2 molecules desorb from surfaces in excited internal and translational states are briefly reviewed. Unequilibrated distributions predominate from the principally catalytic metal substrates so far investigated. Mean kinetic energies have been observed up to approx. 3x, and in some cases less than, wall-thermal; the velocity distributions generally vary with emission angle, with non-Lambertian particle fluxes. The excitation state populations are found to depend on surface impurities, in an as yet unexplained way.

  20. Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy

    DEFF Research Database (Denmark)

    Shelby, Megan L.; Lestrange, Patrick J.; Jackson, Nicholas E.

    2016-01-01

    Photoexcited Nickel(II) tetramesitylporphyrin (NiTMP), like many open-shell metalloporphyrins, relaxes rapidly through multiple electronic states following an initial porphyrin-based excitation, some involving metal centered electronic configuration changes that could be harnessed catalytically......), structural dynamics before thermalization were not resolved due to the similar to 100 ps duration of the available X-ray probe pulse. Using the femtosecond (fs) X-ray pulses of the Linac Coherent Light Source (LCLS), the Ni center electronic configuration from the initial excited state to the relaxed (d...

  1. Pulsed radiation studies of carotenoid radicals and excited states

    Energy Technology Data Exchange (ETDEWEB)

    Burke, M

    2001-04-01

    The one-electron reduction potentials of the radical cations of five dietary carotenoids, in aqueous micellar environments, have been obtained from a pulse radiolysis study of electron transfer between the carotenoids and tryptophan radical cations as a function of pH, and lie in the range 980 to 1060 mV. The decays of the carotenoid radical cations suggest a distribution of exponential lifetimes. The radicals persist for up to about one second, depending on the medium and may re-orientate within a biological environment to react with other biomolecules, such as tyrosine, cysteine or ascorbic acid, which was indeed confirmed. Spectral information of carotenoid pigmented liposomes has been collected, subsequently pulse radiolysis was used to generate the radical cations of {beta}-carotene, zeaxanthin and lutein, in unilamellar vesicles of dipalmitoyl phosphatidyl choline. The rate constants for the 'repair' of these carotenoid radical cations by water-soluble vitamin C were found to be similar ({approx}1 x 10{sup 7} M{sup -1}s{sup -1}) for {beta}-carotene and zeaxanthin and somewhat lower ({approx}0.5 x 10{sup 7} M{sup -1}s{sup -1}) for lutein. The results are discussed in terms of the microenvironment of the carotenoids and suggest that for {beta}-carotene, a hydrocarbon carotenoid, the radical cation is able to interact with a water-soluble species even though the parent hydrocarbon carotenoid is probably entirely in the non-polar region of the liposome. Studies investigating the ability of ingested lycopene to protect human lymphoid cells against singlet oxygen and nitrogen dioxide radical mediated cell damage have shown that a high lycopene diet is beneficial in protecting human cells against reactive oxygen species. Triplet states of carotenoids were produced in benzene solvent and their triplet lifetimes were found to depend on the concentration of the parent molecule. The rate constants obtained for ground state quenching correlate with the number

  2. The Structure of the Nucleon and it's Excited States

    Energy Technology Data Exchange (ETDEWEB)

    None

    1995-02-20

    The past year has been an exciting and productive one for particle physics research at Abilene Christian University. The thrust of our experimental investigations is the study of the nucleon and its excited states. Laboratories where these investigations are presently being conducted are the AGS at Brookhaven, Fermilab and LAMPF. Some analysis of the data for experiments at the Petersburg Nuclear Physics Institute (Gatchina, Russia) is still in progress. Scheduling of activities at different laboratories inevitably leads to occasional conflicts. This likelihood is increased by the present budget uncertainties at the laboratories that make long-term scheduling difficult. For the most part, the investigators have been able to avoid such conflicts. Only one experiment received beam time in 1994 (E890 at the AGS). The situation for 1995-1996 also appears manageable at this point. E890 and another AGS experiment (E909) will run through May, 1995. El 178 at LAMPF is presently scheduled for August/September 1995. E866 at Fermilab is scheduled to start in Spring/Summer 1996. Undergraduate student involvement has been a key element in this research contract since its inception. Summer students participated at all of the above laboratories in 1994 and the same is planned in 1995. A transition to greater involvement by graduate students will provide cohesiveness to ACU involvement at a given laboratory and full-time on-site involvement in the longer running experiments at FNAL and BNL. Funds to support a full-time graduate student are requested this year. Finally, collaboration by Russian, Croatian and Bosnian scientists has proven to be mutually beneficial to these experimental programs and to the overall programs at the institutions involved. Past support has been augmented by other grants from government agencies and from the Research Council at Abilene Christian University. Additional funds are requested in this renewal to enable more programmatic support for these

  3. Variation of excited-state dynamics in trifluoromethyl functionalized C60 fullerenes.

    Science.gov (United States)

    Park, Jaehong; Ramirez, Jessica J; Clikeman, Tyler T; Larson, Bryon W; Boltalina, Olga V; Strauss, Steven H; Rumbles, Garry

    2016-08-17

    We report on electronically excited-state dynamics of three different trifluoromethyl C60 fullerenes (TMFs, C60(CF3)n: C60/4-1, C60/6-2, and C60/10-1, featuring four, six, and ten trifluoromethyl groups, respectively) using steady-state and time-resolved optical spectroscopy as well as ultrafast pump/probe transient absorption spectroscopy. C60/4-1 and C60/6-2 dissolved in toluene solvent show near-unity S1 → T1 intersystem crossing quantum yield (ΦISC), ca. 1 ns S1-state lifetimes, and microsecond-timescale T1-state lifetimes, which are typical of the fullerene class. On the other hand, C60/10-1 exhibits a dominant sub-nanosecond nonradiative S1 → S0 relaxation mechanism and negligible ΦISC, therefore decreasing the average excited-state lifetime (τavg) by about 5 orders of magnitude compared to that of C60/4-1 and C60/6-2 (τavg ≈ 17 μs and 54 μs for C60/4-1 and C60/6-2, respectively, whereas τavg ≈ 100 ps for C60/10-1). These excited-state characteristics of C60/4-1 and C60/6-2 are preserved in polymer matrix, suggesting that fullerene/polymer interactions do not modulate intrinsic photophysics of trifluoromethyl-substituted fullerenes. The contrasting excited-state study results of C60/4-1 and C60/6-2 to that of C60/10-1 infer that intrinsic optical properties and excited-state dynamics can be affected by the substitution on the fullerene.

  4. Variation of excited-state dynamics in trifluoromethyl functionalized C 60 fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jaehong; Ramirez, Jessica J.; Clikeman, Tyler T.; Larson, Bryon W.; Boltalina, Olga V.; Strauss, Steven H.; Rumbles, Garry

    2016-01-01

    We report on electronically excited-state dynamics of three different trifluoromethyl C60 fullerenes (TMFs, C60(CF3)n: C60/4-1, C60/6-2, and C60/10-1, featuring four, six, and ten trifluoromethyl groups, respectively) using steady-state and time-resolved optical spectroscopy as well as ultrafast pump/probe transient absorption spectroscopy. C60/4-1 and C60/6-2 dissolved in toluene solvent show near-unity S1--T1 intersystem crossing quantum yield (..phi..ISC), ca. 1 ns S1-state lifetimes, and microsecond-timescale T1-state lifetimes, which are typical of the fullerene class. On the other hand, C60/10-1 exhibits a dominant sub-nanosecond nonradiative S1--S0 relaxation mechanism and negligible ..phi..ISC, therefore decreasing the average excited-state lifetime (..tau..avg) by about 5 orders of magnitude compared to that of C60/4-1 and C60/6-2 (..tau..avg approx. 17 us and 54 us for C60/4-1 and C60/6-2, respectively, whereas ..tau..avg approx. 100 ps for C60/10-1). These excited-state characteristics of C60/4-1 and C60/6-2 are preserved in polymer matrix, suggesting that fullerene/polymer interactions do not modulate intrinsic photophysics of trifluoromethyl-substituted fullerenes. The contrasting excited- state study results of C60/4-1 and C60/6-2 to that of C60/10-1 infer that intrinsic optical properties and excited-state dynamics can be affected by the substitution on the fullerene.

  5. Tracking the charge and spin dynamics of electronic excited states in inorganic complexes

    Science.gov (United States)

    Gaffney, Kelly

    2015-03-01

    Inorganic complexes have many advantageous properties for solar energy applications, including strong visible absorption and photocatalytic activity. Whether used as a photocatalyst or a photosensitizer, the lifetime of electronic excited states and the earth abundance of the molecular components represent a key property for solar energy applications. These dual needs have undermined the usefulness of many coordination compounds. Isoelectronic iron and ruthenium based complexes represent a clear example. Ru-polypyridal based molecules have been the workhorse of solar energy related research and dye sensitized solar cells for decades, but the replacement of low abundance Ru with Fe leads to million-fold reductions in metal to ligand charge transfer (MLCT) excited state lifetimes. Understanding the origin of this million-fold reduction in lifetime and how to control excited state relaxation in 3d-metal complexes motivates the work I will discuss. We have used the spin sensitivity of hard x-ray fluorescence spectroscopy and the intense femtosecond duration pulses generated by the LCLS x-ray laser to probe the spin dynamics in a series of electronically excited [Fe(CN)6-2N(2,2'-bipyridine)N]2 N - 4 complexes, with N = 1-3. These femtosecond resolution measurements demonstrate that modification of the solvent and ligand environment can lengthen the MLCT excited state lifetime by more than two orders of magnitude. They also verify the role of triplet ligand field excited states in the spin crossover dynamics from singlet to quintet spin configurations. Work supported by the AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  6. Search for Deeply Bound Kaonic Nuclear States with AMADEUS

    Directory of Open Access Journals (Sweden)

    Skurzok Magdalena

    2017-01-01

    Full Text Available We briefly report on the search for Deeply Bound Kaonic Nuclear States with AMADEUS in the Σ0p channel following K− absorption on 12C and outline future perspectives for this work.

  7. Probing the excited state dynamics of a new family of Cu(I)-complexes with an enhanced light absorption capacity: excitation-wavelength dependent population of states through branching.

    Science.gov (United States)

    Papanikolaou, Panagiotis A; Tkachenko, Nikolai V

    2013-08-21

    The ultrafast dynamics of six homoleptic Cu(I)-complexes and their respective ligands was examined through time-resolved electronic absorption spectroscopy in the subpicosecond time domain, in a variety of solvents, and at different excitation wavelengths. Results indicate that after excitation of the complexes in the blue part of the spectrum, the initially formed intraligand (IL) singlet excited state decays via two pathways yielding simultaneously both the lower-lying MLCT excited state and the ligand locally excited triplet state. The latter is also observed in the case of the free ligands and relaxes back to the ground state in a timescale of 40 ps. Excitation in the red part results in the formation of the MLCT excited state of the complexes which decays to the ground state through the same intraligand triplet excited state. The solvent viscosity does not affect the overall relaxation kinetics. The short time constant observed for the intersystem crossing of the MLCT singlet excited state is discussed in terms of the contribution of the d-orbitals of copper to the wavefunction of these states.

  8. Coherent Nuclear Wave Packets in Q States by Ultrafast Internal Conversions in Free Base Tetraphenylporphyrin.

    Science.gov (United States)

    Kim, So Young; Joo, Taiha

    2015-08-06

    Persistence of vibrational coherence in electronic transition has been noted especially in biochemical systems. Here, we report the dynamics between electronic excited states in free base tetraphenylporphyrin (H2TPP) by time-resolved fluorescence with high time resolution. Following the photoexcitation of the B state, ultrafast internal conversion occurs to the Qx state directly as well as via the Qy state. Unique and distinct coherent nuclear wave packet motions in the Qx and Qy states are observed through the modulation of the fluorescence intensity in time. The instant, serial internal conversions from the B to the Qy and Qx states generate the coherent wave packets. Theory and experiment show that the observed vibrational modes involve the out-of-plane vibrations of the porphyrin ring that are strongly coupled to the internal conversion of H2TPP.

  9. The MRSDCI/CIS study of excited electronic states of the SF 2 radical

    Science.gov (United States)

    Liu, Y.-J.; Huang, M.-B.; Zhou, X.; Yu, S.

    2001-09-01

    The vertical ( Tv) and adiabatic ( T0) excitation energies for singlet electronic excited states of the SF 2 radical have been calculated by using the multireference single and double excitation configuration interaction (MRSDCI) method and aug-cc-pVTZ basis sets augmented by Rydberg functions. The MRSDCI Tv calculations indicate that the X1A1, 1 1A2, 1 1B1, 2 1B1, 2 1A2, 2 1A1, 3 1B1, 4 1B1, 3 1A1, and 1 1B2 states are the 10 lowest-lying singlet states. Based on the MRSDCI//CIS T0 calculations (using CIS optimized geometries for excited states), the A, B, C, E, F, G, H, and I states of SF 2 are assigned to 1 1B1, 2 1B1, 3 1B1, 2 1A2, 2 1A1, 3 1A1, 4 1B1, and 1 1B2, respectively.

  10. The structure of low-lying states in ${}^{140}$Sm studied by Coulomb excitation

    CERN Document Server

    Klintefjord, M.; Görgen, A.; Bauer, C.; Bello Garrote, F.L.; Bönig, S.; Bounthong, B.; Damyanova, A.; Delaroche, J.P.; Fedosseev, V.; Fink, D.A.; Giacoppo, F.; Girod, M.; Hoff, P.; Imai, N.; Korten, W.; Larsen, A.C.; Libert, J.; Lutter, R.; Marsh, B.A.; Molkanov, P.L.; Naïdja, H.; Napiorkowski, P.; Nowacki, F.; Pakarinen, J.; Rapisarda, E.; Reiter, P.; Renstrøm, T.; Rothe, S.; Seliverstov, M.D.; Siebeck, B.; Siem, S.; Srebrny, J.; Stora, T.; Thöle, P.; Tornyi, T.G.; Tveten, G.M.; Van Duppen, P.; Vermeulen, M.J.; Voulot, D.; Warr, N.; Wenander, F.; De Witte, H.; Zielińska, M.

    2016-05-02

    The electromagnetic structure of $^{140}$Sm was studied in a low-energy Coulomb excitation experiment with a radioactive ion beam from the REX-ISOLDE facility at CERN. The $2^+$ and $4^+$ states of the ground-state band and a second $2^+$ state were populated by multi-step excitation. The analysis of the differential Coulomb excitation cross sections yielded reduced transition probabilities between all observed states and the spectroscopic quadrupole moment for the $2_1^+$ state. The experimental results are compared to large-scale shell model calculations and beyond-mean-field calculations based on the Gogny D1S interaction with a five-dimensional collective Hamiltonian formalism. Simpler geometric and algebraic models are also employed to interpret the experimental data. The results indicate that $^{140}$Sm shows considerable $\\gamma$ softness, but in contrast to earlier speculation no signs of shape coexistence at low excitation energy. This work sheds more light on the onset of deformation and collectivit...

  11. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    Energy Technology Data Exchange (ETDEWEB)

    Van Tassle, Aaron Justin [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer state and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.

  12. Extended Eckart Theorem and New Variation Method for Excited States of Atoms

    CERN Document Server

    Xiong, Zhuang; Bacalis, N C; Zhou, Qin

    2016-01-01

    We extend the Eckart theorem, from the ground state to excited statew, which introduces an energy augmentation to the variation criterion for excited states. It is shown that the energy of a very good excited state trial function can be slightly lower than the exact eigenvalue. Further, the energy calculated by the trial excited state wave function, which is the closest to the exact eigenstate through Gram-Schmidt orthonormalization to a ground state approximant, is lower than the exact eigenvalue as well. In order to avoid the variation restrictions inherent in the upper bound variation theory based on Hylleraas, Undheim, and McDonald [HUM] and Eckart Theorem, we have proposed a new variation functional Omega-n and proved that it has a local minimum at the eigenstates, which allows approaching the eigenstate unlimitedly by variation of the trial wave function. As an example, we calculated the energy and the radial expectation values of Triplet-S(even) Helium atom by the new variation functional, and by HUM a...

  13. Nuclear liability coverage developments in the United States of America

    Energy Technology Data Exchange (ETDEWEB)

    Brown II, Omer F.

    1995-12-31

    The availability of such nuclear liability coverage has been a concern of nuclear power plant vendors, suppliers and operators, and public officials in the United States or many years. This paper addresses implications of the Federal Price-Anderson Act (42 U.S.C. 2014, 2020; Sections 11 and 170 of the Atomic Energy Act of 1954, as amended); on the financial liability of persons accountable for an accident in the United States. (author).

  14. Excitation functions of proton induced nuclear reactions on natW up to 40 MeV

    CERN Document Server

    Khandake, M U; Kim, K S; Lee, M W; Lee, Y S; Uddin, M S

    2007-01-01

    Excitation functions for the production of the 181,182m,182g,183,184g,186Re and 183,184Ta radionuclides from proton bombardment on natural tungsten were measured using the stacked-foil activation technique for the proton energies up to 40 MeV. A new data set has been given for the formation of the investigated radionuclides. Results are in good agreement with the earlier reported experimental data and theoretical calculations based on the ALICE-IPPE code. The thick target integral yields were also deduced from the measured excitation functions. The deduced yield values were compared with the directly measured thick target yield (TTY), and found acceptable agreement. The investigated radionuclide 186Re has remarkable applications in the field of nuclear medicine, whereas the data of 183,184gRe and 183Ta have potential applications in thin layer activation analysis and biomedical tracer studies, respectively.

  15. DETERMINATION OF THE ABSOLUTE EXCITED-STATE DENSITY OF A SODIUM TARGET BY MEANS OF BEAM DEFLECTION MEASUREMENTS

    NARCIS (Netherlands)

    WIERSEMA, WP; SCHLATMANN, AR; MORGENSTERN, R

    1994-01-01

    The average deflection of a laser excited, divergent sodium beam with a broad velocity distribution is measured by means of a Langmuir-Taylor detector and exploited for determining the absolute density of the excited state in the interaction area. Simulations of the excitation and deflection process

  16. Photostability of a fluorescent marker under pulsed excited-state depletion through stimulated emission.

    Science.gov (United States)

    Dyba, Marcus; Hell, Stefan W

    2003-09-01

    Saturated stimulated-emission depletion (STED) of a fluorescent marker has been shown to break the diffraction barrier in far-field fluorescence microscopy and to facilitate spatial resolution down to a few tens of nanometers. Here we investigate the photostability of a fluorophore that, in this concept, is repeatedly excited and depleted by synchronized laser pulses. Our study of bacteria labeled with RH-414, a membrane marker, reveals that increasing the duration of the STED pulse from approximately 10 to 160 ps fundamentally improves the photostability of the dye. At the same time the STED efficiency is maintained. The observed photobleaching of RH-414 is due primarily to multiphoton absorption from its ground state. One can counteract photobleaching by employing STED pulses that range from 150 ps to approximately half of the lifetime of the excited state. The results also have implications for multiphoton excitation microscopy.

  17. Conformational analysis of acetamide in the ground and lowest excited electronic states

    Science.gov (United States)

    Tukachev, N. V.; Bataev, V. A.; Godunov, I. A.

    2017-05-01

    For acetamide molecule (CH3CONH2) in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states calculations of equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions (also conformer energy differences in excited states) using following ab initio methods: MP2, CCSD(T), CASSCF, CASPT2 and MRCI were performed. One-, two- and three-dimensional potential energy surface (PES) sections by different large amplitude motions (LAM) coordinates were calculated by means of MP2/aug-cc-pVTZ (S0) and CASPT2/cc-pVTZ (S1, T1). As a result of electronic excitation, both CCON and CNH2 fragments become pyramidal. On 2D PES sections by torsion (CN) and inversion coordinates there are six minima forming three pairs of enantiomers. Using PES sections different anharmonic vibrational problems were solved and the frequencies of large amplitude vibrations were estimated.

  18. First experimental evidence of 2He decay from 18Ne excited states

    CERN Document Server

    Rapisarda, E; Cardella, G; De Napoli, M; Raciti, G; Sfienti, C

    2010-01-01

    Two-proton decay from 18Ne excited states has been studied by complete kinematical detection of the decay products. The 18Ne nucleus has been produced as a radioactive beam by 20Ne projectile fragmentation at 45 AMeV on a 9Be target, using the FRIBs in-flight facility of the LNS. The 18Ne at 33 AMeV incident energy has been excited via Coulomb excitation on a natPb target. The correlated 2p emission has been disentangled from the uncorrelated 2p emission using a high granularity particle detector setup allowing the reconstruction of momentum and angle correlations of the two emitted protons. The obtained results unambiguously show that the 6.15 MeV 18Ne state two-proton decay proceeds through 2He emission (31%) and democratic or virtual sequential decay (69%).

  19. Selective two-photon excitation of a vibronic state by correlated photons.

    Science.gov (United States)

    Oka, Hisaki

    2011-03-28

    We theoretically investigate the two-photon excitation of a molecular vibronic state by correlated photons with energy anticorrelation. A Morse oscillator having three sets of vibronic states is used, as an example, to evaluate the selectivity and efficiency of two-photon excitation. We show that a vibrational mode can be selectively excited with high efficiency by the correlated photons, without phase manipulation or pulse-shaping techniques. This can be achieved by controlling the quantum correlation so that the photon pair concurrently has two pulse widths, namely, a temporally narrow width and a spectrally narrow width. Though this concurrence is seemingly contradictory, we can create such a photon pair by tailoring the quantum correlation between two photons.

  20. Charge-transfer excited states in aqueous DNA: Insights from many-body Green's function theory.

    Science.gov (United States)

    Yin, Huabing; Ma, Yuchen; Mu, Jinglin; Liu, Chengbu; Rohlfing, Michael

    2014-06-06

    Charge-transfer (CT) excited states play an important role in the excited-state dynamics of DNA in aqueous solution. However, there is still much controversy on their energies. By ab initio many-body Green's function theory, together with classical molecular dynamics simulations, we confirm the existence of CT states at the lower energy side of the optical absorption maximum in aqueous DNA as observed in experiments. We find that the hydration shell can exert strong effects (∼1  eV) on both the electronic structure and CT states of DNA molecules through dipole electric fields. In this case, the solvent cannot be simply regarded as a macroscopic screening medium as usual. The influence of base stacking and base pairing on the CT states is also discussed.

  1. Ongoing Space Nuclear Systems Development in the United States

    Energy Technology Data Exchange (ETDEWEB)

    S. Bragg-Sitton; J. Werner; S. Johnson; Michael G. Houts; Donald T. Palac; Lee S. Mason; David I. Poston; A. Lou Qualls

    2011-10-01

    Reliable, long-life power systems are required for ambitious space exploration missions. Nuclear power and propulsion options can enable a bold, new set of missions and introduce propulsion capabilities to achieve access to science destinations that are not possible with more conventional systems. Space nuclear power options can be divided into three main categories: radioisotope power for heating or low power applications; fission power systems for non-terrestrial surface application or for spacecraft power; and fission power systems for electric propulsion or direct thermal propulsion. Each of these areas has been investigated in the United States since the 1950s, achieving various stages of development. While some nuclear systems have achieved flight deployment, others continue to be researched today. This paper will provide a brief overview of historical space nuclear programs in the U.S. and will provide a summary of the ongoing space nuclear systems research, development, and deployment in the United States.

  2. Commercial Nuclear Reprocessing in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, Charles Leland [Brigham Young Univ., Provo, UT (United States); Balatsky, Galya Ivanovna [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-09-09

    The short presentation outline: Reprocessing Overview; Events leading up to Carter’s Policy; Results of the decision; Policy since Nuclear Nonproliferation Act. Conclusions reached: Reprocessing ban has become an easy and visible fix to the public concern about proliferation, but has not completely stopped proliferation; and, Reprocessing needs to become detached from political considerations, so technical research can continue, regardless of the policy decisions we decide to take.

  3. Stark-induced adiabatic Raman ladder for preparing highly vibrationally excited quantum states of molecular hydrogen

    Science.gov (United States)

    Mukherjee, Nandini; Perreault, William E.; Zare, Richard N.

    2017-07-01

    We present a multi-color ladder excitation scheme that exploits Stark-induced adiabatic Raman passage to selectively populate a highly excited vibrational level of a molecule. We suggest that this multi-color coherent ladder excitation provides a practical way of accessing levels near the vibrational dissociation limit as well as the dissociative continuum, which would allow the generation of an entangled pair of fragments with near-zero relative kinetic energy. Specifically, we consider four- and six-photon coherent excitation of molecular hydrogen to high vibrational levels via intermediate vibrational levels, which are pairwise coupled by two-photon resonant interaction. Using a sequence of three partially overlapping, single-mode, nanosecond laser pulses we show that the sixth vibrational level of H2, which is too weakly coupled to be easily accessed by direct two-photon Raman excitation from the ground vibrational level, can be efficiently populated without leaving any population stranded in the intermediate level. Furthermore, we show that the fourteenth vibrational level of H2, which is the highest vibrational level in the ground electronic state with a binding energy of 22 meV, can be efficiently and selectively populated using a sequence of four pulses. The present technique offers the unique possibility of preparing entangled quantum states of H atoms without resorting to an ultracold system.

  4. Tetracarboxy-phthalocyanines: From excited state dynamics to photodynamic inactivation against Bovine herpesvirus type 1.

    Science.gov (United States)

    Cocca, Leandro H Z; Oliveira, Taise M A; Gotardo, Fernando; Teles, Amanda V; Menegatti, Ricardo; Siqueira, Jonathas P; Mendonça, Cleber R; Bataus, Luiz A M; Ribeiro, Anderson O; Souza, Thalita F M; Souza, Guilherme R L; Gonçalves, Pablo J; De Boni, Leonardo

    2017-10-01

    Herein we present the excited state dynamic of zinc and aluminum tetracarboxy-phthalocyanines (ZnPc and AlPc) and its application in the photodynamic inactivation (PDI) of Bovine herpesvirus type 1 (BoHV-1) in vitro. The excited state dynamic provides valuable data to describe the excited state properties of potential optical limiters and/or photosensitizers (PSs), such as: the excited state cross-sections, fluorescence lifetime and triplet state quantum yield. The excited state characterization was performed using three different Z-scan techniques: Single Pulse, White Light Continuum and Pulse Train. Considering the photodynamic inactivation of BoHV-1, an initial viral suspension containing 10 5.75 TCID 50 /mL was incubated with the PSs for 1h at 37°C under agitation and protected from light. The samples were placed in microtiter plates and irradiated (180mW/cm 2 ). During irradiation, a sample was taken every 15min and the viability of the virus was evaluated. The results show that both phthalocyanines were efficient against viruses. However, a higher photodynamic efficiency was observed by ZnPc, which can be attributed to its higher triplet and singlet quantum yields. The results presented here are important for animal health (treatment of BoHV-1) and also open up a field of studies to use AlPc and ZnPc as potential agents against a wide range of microorganisms of veterinary interest. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Before there was light : Excited state dynamics in luminescent (nano)materials

    NARCIS (Netherlands)

    Rabouw, F.T.|info:eu-repo/dai/nl/413318036

    2015-01-01

    In this thesis we examine two types of luminescent materials: colloidal semiconductor nanocrystals (also known as quantum dots), and crystals doped with lanthanide ions. These materials convert one color of light to another. By investigating the dynamics of the excited state, we gain new insights

  6. Excited states populated via nucleon transfer in the reaction [sup 32]S+[sup 208]Pb

    Energy Technology Data Exchange (ETDEWEB)

    Corradi, L.; Petrache, C.M.; Ackermann, D.; De Angelis, G.; Moreno, H.; Napoli, D.R.; Spolaore, P.; Stefanini, A.M. (INFN, Lab. Nazionali di Legnaro (Italy)); Beghini, S.; Montagnoli, G.; Scarlassara, F.; Segato, G.F.; Signorini, C. (Padua Univ. (Italy). Dipt. di Fisica INFN, Padua (Italy)); Pollarolo, G. (Turin Univ. (Italy). Dipt. di Fisica INFN, Turin (Italy))

    1993-01-01

    The population strengths of excited states in nuclei produced via transfer reactions in the 185 MeV[sup 32]S+[sup 208]Pb reaction have been investigated by heavy-ion-[gamma] coincidence techniques. The cross sections extracted from the [gamma] spectra, have been analyzed in the framework of the Complex WKB approximation theory. (orig.).

  7. Discrete excitation of mode pulses using a diode-pumped solid-state digital laser

    CSIR Research Space (South Africa)

    Ngcobo, Sandile

    2016-02-01

    Full Text Available In this paper, we experimentally demonstrate novel method of generating discrete excitation of on-demand Lagaurre-Gaussian (LG) mode pulses, in a diode pumped solid-state digital laser. The digital laser comprises of an intra-cavity spatial light...

  8. Supporting Information for the article entitled, “Excited State Charge ...

    Indian Academy of Sciences (India)

    Supporting Information for the article entitled, “Excited State Charge Transfer Reaction in (Mixed Solvent + Electrolyte) Systems: Role of Reactant-Solvent and ... S2: Composition dependence of the reaction time (, upper panels) and long time ( , lower panels) constants obtained from bi-exponential fit of the collected LE ...

  9. Temperature dependent excited state relaxation of a red emitting DNA-templated silver nanocluster

    DEFF Research Database (Denmark)

    Cerretani, Cecilia; Carro-Temboury, Miguel R.; Krause, Stefan

    2017-01-01

    The nanosecond excited state temporal and spectral relaxation of a purified, red-emitting DNA-templated silver nanocluster (DNA–AgNC) was characterized as a function of temperature. The findings are explained by introducing a phenomenological electronic structure diagram. The reproducibility...

  10. Ponderomotive dressing of doubly-excited states with intensity-controlled laser light

    Directory of Open Access Journals (Sweden)

    Ding Thomas

    2013-03-01

    Full Text Available We laser-dress several doubly-excited states in helium. Tuning the coupling-laser intensity from perturbative to the strong-coupling regime, we are able to measure phases imprinted on the two-electron wavefunctions, and observe a new continuum coupling mechanism.

  11. Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads

    KAUST Repository

    Whited, Matthew T.

    2012-01-01

    We report the synthesis and characterization of symmetric BODIPY dyads where the chromophores are attached at the meso position, using either a phenylene bridge or direct linkage. Both molecules undergo symmetry-breaking intramolecular charge transfer in the excited state, and the directly linked dyad serves as a visible-light-absorbing analogue of 9,9′-bianthryl.

  12. Fractionalized excitations in the spin-liquid state of a kagome-lattice antiferromagnet.

    Science.gov (United States)

    Han, Tian-Heng; Helton, Joel S; Chu, Shaoyan; Nocera, Daniel G; Rodriguez-Rivera, Jose A; Broholm, Collin; Lee, Young S

    2012-12-20

    The experimental realization of quantum spin liquids is a long-sought goal in physics, as they represent new states of matter. Quantum spin liquids cannot be described by the broken symmetries associated with conventional ground states. In fact, the interacting magnetic moments in these systems do not order, but are highly entangled with one another over long ranges. Spin liquids have a prominent role in theories describing high-transition-temperature superconductors, and the topological properties of these states may have applications in quantum information. A key feature of spin liquids is that they support exotic spin excitations carrying fractional quantum numbers. However, detailed measurements of these 'fractionalized excitations' have been lacking. Here we report neutron scattering measurements on single-crystal samples of the spin-1/2 kagome-lattice antiferromagnet ZnCu(3)(OD)(6)Cl(2) (also called herbertsmithite), which provide striking evidence for this characteristic feature of spin liquids. At low temperatures, we find that the spin excitations form a continuum, in contrast to the conventional spin waves expected in ordered antiferromagnets. The observation of such a continuum is noteworthy because, so far, this signature of fractional spin excitations has been observed only in one-dimensional systems. The results also serve as a hallmark of the quantum spin-liquid state in herbertsmithite.

  13. Polarization of the excited states of twisted ethylene in a non-symmetrical environment

    NARCIS (Netherlands)

    Zijlstra, R.W J; van Duijnen, P.T.; de Vries, Alex

    1996-01-01

    The polarization behavior of the low lying excited states in the vicinity of the perpendicularly twisted (D-2d) ethylene has been investigated in a quantum mechanical CISD approach, in which the quantum system was embedded in a polarized dielectric continuum modeling a non-symmetrical distribution

  14. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter.

  15. Excited-state spectroscopy of singly, doubly and triply-charmed baryons from lattice QCD

    CERN Document Server

    Padmanath, M; Mathur, Nilmani; Peardon, Michael

    2013-01-01

    We present the ground and excited state spectra of singly, doubly and triply-charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. These operators transform as irreducible representations of SU(3)$_F$ symmetry for flavour, SU(4) symmetry for Dirac spins of quarks and O(3) symmetry for orbital angular momenta. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6)$\\otimes$O(3) symmetry.

  16. Excited-state spectroscopy of singly, doubly and triply-charmed baryons from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Padmanath, M. [Tata Institute; Edwards, Robert G. [JLAB; Mathur, Nilmani [Tata Institute; Peardon, Michael [Trinity College

    2014-07-01

    We present the ground and excited state spectra of singly, doubly and triply-charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. These operators transform as irreducible representations of SU(3)F symmetry for flavour, SU(4) symmetry for Dirac spins of quarks and O(3) symmetry for orbital angular momenta. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6)ⓍO(3) symmetry.

  17. Triplet excited state properties in variable gap π-conjugated donor–acceptor–donor chromophores

    KAUST Repository

    Cekli, Seda

    2016-02-12

    A series of variable band-gap donor–acceptor–donor (DAD) chromophores capped with platinum(II) acetylide units has been synthesized and fully characterized by electrochemical and photophysical methods, with particular emphasis placed on probing triplet excited state properties. A counter-intuitive trend of increasing fluorescence quantum efficiency and lifetime with decreasing excited state energy (optical gap) is observed across the series of DAD chromophores. Careful study of the excited state dynamics, including triplet yields (as inferred from singlet oxygen sensitization), reveals that the underlying origin of the unusual trend in the fluorescence parameters is that the singlet–triplet intersystem crossing rate and yield decrease with decreasing optical gap. It is concluded that the rate of intersystem crossing decreases as the LUMO is increasingly localized on the acceptor unit in the DAD chromophore, and this result is interpreted as arising because the extent of spin–orbit coupling induced by the platinum heavy metal centers decreases as the LUMO is more localized on the acceptor. In addition to the trend in intersystem crossing, the results show that the triplet decay rates follow the Energy Gap Law correlation over a 1.8 eV range of triplet energy and 1000-fold range of triplet decay rates. Finally, femtosecond transient absorption studies for the DAD chromophores reveals a strong absorption in the near-infrared region which is attributed to the singlet excited state. This spectral band appears to be general for DAD chromophores, and may be a signature of the charge transfer (CT) singlet excited state.

  18. Structure of excited states in nuclei near doubly magic {sup 100}SN

    Energy Technology Data Exchange (ETDEWEB)

    Gorska, M.

    1998-11-01

    The three neutron-deficient nuclei {sup 94}Pd, {sup 98}Cd and {sup 104}Sn in the vicinity of {sup 100}Sn were investigated by means of in-beam {gamma}-ray spectroscopy of excited states. The isomeric decays in {sup 94}Pd and {sup 98}Cd were studied for the first time with an exclusive experimental setup for delayed {gamma}-ray detection with complete exit channel identification based on information from neutron and charged-particle filter detectors. The structure of excited states of {sup 94}Pd showed the first indication of increasing proton-neutron interaction towards the N=Z line in this region of nuclei, that in turn might be related to increased proton-neutron pairing correlations predicted in T{sub z}=0 nuclei. The closest neighbours of {sup 100}Sn with two active particles, {sup 98}Cd and {sup 102}Sn, are now known with their lowest excited states. The measured reduced transition probabilities for the decay of the isomeric 8{sup +} and 6{sup +} states in {sup 98}Cd and {sup 102}Sn, respectively, allowed to extract an effective quadrupole charge for neutron and proton in this region of nuclei based on the high configurational purity of the states. While the neutron effective charge appeared to be large and in agreement with expectation, the proton effective charge value is very small (e{sub {pi}}{<=}1). This controversial result, which would indicate that {sup 100}Sn is a very good closed shell nucleus with respect to quadrupole excitation, is not understood. An experimental reason for this result, related to existence of a core excited isomer, observed in the experiment by means of its half life but not {gamma}-rays, which may have escaped observation, can not be definitely excluded and is left as possible explanation. (orig.)

  19. Picosecond spectral relaxation of curcumin excited state in toluene–alcohol mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Saini, R.K.; Das, K., E-mail: kaustuv@rrcat.gov.in

    2013-12-15

    Excited state photophysics of Curcumin in a binary solvent mixture of toluene and five different alcohols (Methanol, Ethanol, 1-Propanol, 1-Butanol and 1-Octanol) are compared with an instrument time resolution of ∼40 ps. As the alcohol mole-fraction is varied from zero to unity, the observed trends in the fluorescence quantum yield and lifetime of the pigment in toluene–alcohol mixtures changes significantly in going from Methanol to 1-Octanol. This is attributed to the different degree of modulation of the non-radiative rates associated with the excited state intermolecular H bonding between the pigment and the alcohol. Fluorescence decays taken at the red edge of the emission spectrum started to show measurable rise times (200–30 ps) the magnitude of which decreased gradually with increasing alcohol mole-fraction. As a consequence the solvation times in the binary mixture were observed to slow down considerably at certain solvent compositions compared to that in neat alcohol. However, in toluene-1-Octanol mixture, the rise times and corresponding solvation times did not show a dependence on the 1-Octanol mole-fraction. The observed results suggest that viscosity, polarity and hydrogen bonding property of the alcohol solvent plays an important role in the excited state processes of the pigment in toluene–alcohol mixture. -- Highlights: • Excited state photophysics of Curcumin in a binary solvent mixture of toluene and five different alcohols were studied. • The observed trends in the fluorescence properties are attributed to intermolecular H bonding between the pigment and the alcohol. • Except 1-Octanol, the average solvation times of the pigment were observed to depend upon alcohol mole-fraction. • Viscosity, polarity and hydrogen bonding play an important role in the excited state processes of the pigment.

  20. Electron impact excitation of the D states of Mg, Ca and Sr atoms ...

    Indian Academy of Sciences (India)

    decay of the atom from D → P and then P → S) is required [3,7–9]. ... for the excitation of helium from its ground 1S state to the 3 1D state at 40 eV. We ..... Further, we use for the projectile electron distorted wave function. FDW i(f) the following relativistic form of partial wave expansion: F± ch,µch (kch, r) = 1. (2π)3/2 ∑ κm.

  1. Neutron correlations in the decay of the first excited state of {sup 11}Li

    Energy Technology Data Exchange (ETDEWEB)

    Smith, J.K., E-mail: jsmith@triumf.ca [National Superconducting Cyclotron Laboratory, East Lansing, MI 48824 (United States); Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Baumann, T.; Bazin, D. [National Superconducting Cyclotron Laboratory, East Lansing, MI 48824 (United States); Brown, J. [Department of Physics, Wabash College, Crawfordsville, IN 47933 (United States); DeYoung, P.A. [Department of Physics, Hope College, Holland, MI 49422 (United States); Frank, N. [Department of Physics and Astronomy, Augustana College, Rock Island, IL 61201 (United States); Jones, M.D. [National Superconducting Cyclotron Laboratory, East Lansing, MI 48824 (United States); Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Kohley, Z. [National Superconducting Cyclotron Laboratory, East Lansing, MI 48824 (United States); Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Luther, B. [Department of Physics, Concordia College, Moorhead, MN 56562 (United States); Marks, B. [Department of Physics, Hope College, Holland, MI 49422 (United States); Spyrou, A. [National Superconducting Cyclotron Laboratory, East Lansing, MI 48824 (United States); Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Stephenson, S.L. [Department of Physics, Gettysburg College, Gettysburg, PA 17325 (United States); Thoennessen, M. [National Superconducting Cyclotron Laboratory, East Lansing, MI 48824 (United States); Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Volya, A. [Department of Physics, Florida State University, Tallahassee, FL 32306 (United States)

    2016-11-15

    The decay of unbound excited {sup 11}Li was measured after being populated by a two-proton removal from a {sup 13}B beam at 71 MeV/nucleon. Decay energy spectra and Jacobi plots were obtained from measurements of the momentum vectors of the {sup 9}Li fragment and neutrons. A resonance at an excitation energy of ∼1.2 MeV was observed. The kinematics of the decay are equally well fit by a simple dineutron-like model or a phase-space model that includes final state interactions. A sequential decay model can be excluded.

  2. Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

    Science.gov (United States)

    Godunov, I. A.; Bataev, V. A.; Maslov, D. V.; Yakovlev, N. N.

    2017-01-01

    The structure of conformational non-rigid molecules in the excited electronic states are investigated by joint theoretical and experimental methods. The theoretical part of work consist of two stages. In first stage the ab initio quantum-chemical calculations are carried out using high level methods. In second stage the vibrational problems of the various dimensions are solved by variational method for vibrations of large amplitude. In experimental part of work the vibronic spectra are investigated: gas-phase absorption and also, fluorescence excitation spectra of jet-cooled molecules. Some examples are considered.

  3. Electronic, structural and optical properties of hydrogenated silicon nanocrystals: the role of the excited states

    Energy Technology Data Exchange (ETDEWEB)

    Cantele, G.; Ninno, D.; Iadonisi, G. [Coherentia-INFM and Universita di Napoli ' ' Federico II' ' - Dipartimento di Scienze Fisiche, Complesso Universitario Monte S. Angelo, Via Cintia, 80126 Napoli (Italy); Degoli, Elena; Bisi, O.; Ossicini, Stefano [INFM-S' ' 3 and Dipartimento di Scienze e Metodi dell' Ingegneria, Universita di Modena e Reggio Emilia, via Fogliani, 42100 Reggio Emilia (Italy); Luppi, Eleonora; Magri, Rita [INFM-S' ' 3 and Dipartimento di Fisica, Universita di Modena e Reggio Emilia, via Campi 213/A, 41100 Modena (Italy)

    2005-06-01

    In this paper we report on a first-principle calculation of the electronic and structural properties of hydrogenated silicon nanocrystals both in the ground- and in an excited-state configuration. The presence of an electron-hole pair created under excitation is taken into account and its effects on both the electronic spectrum and the cluster geometry are pointed out. The interpretation of the results is done within a four-level model, which also allows the explanation of the experimentally observed Stokes shift. Size-related aspects are also analysed and discussed. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Scalar quanta in Fermi liquids: Zero sounds, instabilities, Bose condensation, and a metastable state in dilute nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Kolomeitsev, E.E. [Matej Bel University, Banska Bystrica (Slovakia); Voskresensky, D.N. [National Research Nuclear University (MEPhI), Moscow (Russian Federation)

    2016-12-15

    The spectrum of bosonic scalar-mode excitations in a normal Fermi liquid with local scalar interaction is investigated for various values and momentum dependence of the scalar Landau parameter f{sub 0} in the particle-hole channel. For f{sub 0} > 0 the conditions are found when the phase velocity on the spectrum of zero sound acquires a minimum at non-zero momentum. For -1 < f{sub 0} < 0 there are only damped excitations, and for f{sub 0} < -1 the spectrum becomes unstable against the growth of scalar-mode excitations. An effective Lagrangian for the scalar excitation modes is derived after performing a bosonization procedure. We demonstrate that the instability may be tamed by the formation of a static Bose condensate of the scalar modes. The condensation may occur in a homogeneous or inhomogeneous state relying on the momentum dependence of the scalar Landau parameter. We show that in the isospin-symmetric nuclear matter there may appear a metastable state at subsaturation nuclear density owing to the condensate. Then we consider a possibility of the condensation of the zero-sound-like excitations in a state with a non-zero momentum in Fermi liquids moving with overcritical velocities, provided an appropriate momentum dependence of the Landau parameter f{sub 0}(k) > 0. We also argue that in peripheral heavy-ion collisions the Pomeranchuk instability may occur already for f{sub 0} > -1. (orig.)

  5. Fermionic Basis in Conformal Field Theory and Thermodynamic Bethe Ansatz for Excited States

    Directory of Open Access Journals (Sweden)

    Hermann Boos

    2011-01-01

    Full Text Available We generalize the results of [Comm. Math. Phys. 299 (2010, 825-866] (hidden Grassmann structure IV to the case of excited states of the transfer matrix of the six-vertex model acting in the so-called Matsubara direction. We establish an equivalence between a scaling limit of the partition function of the six-vertex model on a cylinder with quasi-local operators inserted and special boundary conditions, corresponding to particle-hole excitations, on the one hand, and certain three-point correlation functions of conformal field theory (CFT on the other hand. As in hidden Grassmann structure IV, the fermionic basis developed in previous papers and its conformal limit are used for a description of the quasi-local operators. In paper IV we claimed that in the conformal limit the fermionic creation operators generate a basis equivalent to the basis of the descendant states in the conformal field theory modulo integrals of motion suggested by A. Zamolodchikov (1987. Here we argue that, in order to completely determine the transformation between the above fermionic basis and the basis of descendants in the CFT, we need to involve excitations. On the side of the lattice model we use the excited-state TBA approach. We consider in detail the case of the descendant at level 8.

  6. Role of excited state solvent fluctuations on time-dependent fluorescence Stokes shift

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tanping, E-mail: tanping@lsu.edu, E-mail: revatik@lsu.edu; Kumar, Revati, E-mail: tanping@lsu.edu, E-mail: revatik@lsu.edu [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)

    2015-11-07

    We explore the connection between the solvation dynamics of a chromophore upon photon excitation and equilibrium fluctuations of the solvent. Using molecular dynamics simulations, fluorescence Stokes shift for the tryptophan in Staphylococcus nuclease was examined using both nonequilibrium calculations and linear response theory. When the perturbed and unperturbed surfaces exhibit different solvent equilibrium fluctuations, the linear response approach on the former surface shows agreement with the nonequilibrium process. This agreement is excellent when the perturbed surface exhibits Gaussian statistics and qualitative in the case of an isomerization induced non-Gaussian statistics. However, the linear response theory on the unperturbed surface breaks down even in the presence of Gaussian fluctuations. Experiments also provide evidence of the connection between the excited state solvent fluctuations and the total fluorescence shift. These observations indicate that the equilibrium statistics on the excited state surface characterize the relaxation dynamics of the fluorescence Stokes shift. Our studies specifically analyze the Gaussian fluctuations of the solvent in the complex protein environment and further confirm the role of solvent fluctuations on the excited state surface. The results are consistent with previous investigations, found in the literature, of solutes dissolved in liquids.

  7. Observation of excited state charge transfer with fs/ps-CARS

    Energy Technology Data Exchange (ETDEWEB)

    Blom, Alex Jason [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    Excited state charge transfer processes are studied using the fs/ps-CARS probe technique. This probe allows for multiplexed detection of Raman active vibrational modes. Systems studied include Michler's Ketone, Coumarin 120, 4-dimethylamino-4'-nitrostilbene, and several others. The vibrational spectrum of the para di-substituted benzophenone Michler's Ketone in the first excited singlet state is studied for the first time. It is found that there are several vibrational modes indicative of structural changes of the excited molecule. A combined experimental and theoretical approach is used to study the simplest 7-amino-4-methylcoumarin, Coumarin 120. Vibrations observed in FTIR and spontaneous Raman spectra are assigned using density functional calculations and a continuum solvation model is used to predict how observed modes are affected upon inclusion of a solvent. The low frequency modes of the excited state charge transfer species 4-dimethylamino-4{prime}-nitrostilbene are studied in acetonitrile. Results are compared to previous work on this molecule in the fingerprint region. Finally, several partially completed projects and their implications are discussed. These include the two photon absorption of Coumarin 120, nanoconfinement in cyclodextrin cavities and sensitization of titania nanoparticles.

  8. Excitation energy and spins of the Yrast superdeformed states in {sup 193}Tl; Energie d`excitation et spins des etats superdeformes Yrast de {sup 193}Tl

    Energy Technology Data Exchange (ETDEWEB)

    Bouneau, S.; Duprat, J.; Azaiez, F. [Experimental Research Division, Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)] [and others

    1999-11-01

    Discrete {gamma}-rays of high energy connecting states of the two Yrast superdeformed bands in {sup 193}Tl to the normal deformed states have been identified. Thus, for the first time, in an odd SD nucleus, it has been possible to propose an excitation energy and spins of the two lowest bands. (authors) 3 refs., 2 figs.

  9. Depopulation of lowly excited ns-states of Rb colliding with the He atom

    Energy Technology Data Exchange (ETDEWEB)

    Verma, S.K. [Jagdam College, Chapra (India). Dept. of Physics; Khan, A.A. [ZAI College, Siwan (India). Dept. of Physics; Kumar, V. [Rajendra College, Chapra (India). Dept. of Physics; Kumar, A. [JP University, Chapra (India). Dept. of Physics

    1996-03-28

    A semiclassical impact-parameter method has been used to study the total depopulation of lowly excited ns-states of the Rb atom colliding with ground-state He in the thermal energy region. A fairly large basis set of STO has been used to generate MO states and then a 14-state calculation has been carried out to evaluate the total as well as individual cross sections for quenching. A comparative study with the previously investigated Li-He and Na-He pairs is also presented. (Author).

  10. Acceleration of a ground-state reaction by selective femtosecond-infrared-laser-pulse excitation

    Science.gov (United States)

    Stensitzki, Till; Yang, Yang; Kozich, Valeri; Ahmed, Ashour A.; Kössl, Florian; Kühn, Oliver; Heyne, Karsten

    2018-02-01

    Infrared (IR) excitation of vibrations that participate in the reaction coordinate of an otherwise thermally driven chemical reaction are believed to lead to its acceleration. Attempts at the practical realization of this concept have been hampered so far by competing processes leading to sample heating. Here we demonstrate, using femtosecond IR-pump IR-probe experiments, the acceleration of urethane and polyurethane formation due to vibrational excitation of the reactants for 1:1 mixtures of phenylisocyanate and cyclohexanol, and toluene-2,4-diisocyanate and 2,2,2-trichloroethane-1,1-diol, respectively. We measured reaction rate changes upon selective vibrational excitation with negligible heating of the sample and observed an increase of the reaction rate up to 24%. The observation is rationalized using reactant and transition-state structures obtained from quantum chemical calculations. We subsequently used IR-driven reaction acceleration to write a polyurethane square on sample windows using a femtosecond IR pulse.

  11. Doppler- and recoil-free laser excitation of Rydberg states via three-photon transitions

    Energy Technology Data Exchange (ETDEWEB)

    Ryabtsev, I. I.; Beterov, I. I.; Tretyakov, D. B.; Entin, V. M.; Yakshina, E. A. [A. V. Rzhanov Institute of Semiconductor Physics SB RAS, Prospekt Lavrentyeva 13, 630090 Novosibirsk (Russian Federation)

    2011-11-15

    Three-photon laser excitation of Rydberg states by three different laser beams can be arranged in a starlike geometry that simultaneously eliminates the recoil effect and Doppler broadening. Our analytical and numerical calculations for a particular laser excitation scheme 5S{sub 1/2}{yields}5P{sub 3/2}{yields}6S{sub 1/2}{yields}nP in Rb atoms have shown that, compared to the one- and two-photon laser excitation, this approach provides much narrower linewidth and longer coherence time for both cold atom samples and hot vapors, if the intermediate one-photon resonances of the three-photon transition are detuned by more than respective single-photon Doppler widths. This method can be used to improve fidelity of Rydberg quantum gates and precision of spectroscopic measurements in Rydberg atoms.

  12. State-federal interactions in nuclear regulation

    Energy Technology Data Exchange (ETDEWEB)

    Pasternak, A.D.; Budnitz, R.J.

    1987-12-01

    The Atomic Energy Act of 1954 established, and later Congressional amendments have confirmed, that except in areas which have been explicitly granted to the states, the federal government possesses preemptive authority to regulate radiation hazards associated with the development and use of atomic energy. Since the passage of the original Act, numerous decisions by the courts have reaffirmed the legitimacy of federal preemption, and have defined and redefined its scope. In this study, the aim is to explore the underlying issues involved in federal preemption of radiation-hazard regulation, and to recommend actions that the Department of Energy and other agencies and groups should consider undertaking in the near term to protect the preemption principle. Appropriate roles of the states are discussed, as well as recent state-level activities and their rationale, and several current arenas in which state-federal conflicts about regulation of hazards are being played out. The emphasis here is on four particular arenas that are now important arenas of conflict, but the issues discussed are far broader in scope. These four arenas are: state-level moratorium activity; emergency planning for reactors; conflicts arising from state financial regulation; and inroads in federal preemption through litigation under state law.

  13. Time-resolved study of excited states of N2 near its first ionization threshold

    Science.gov (United States)

    Moise, Angelica; Prince, Kevin C.; Richter, Robert

    2011-03-01

    Two-photon, two-color double-resonance ionization spectroscopy combining synchrotron vacuum ultraviolet radiation with a tunable near-infrared (NIR) laser has been used to investigate gerade symmetry states of the nitrogen molecule. The rotationally resolved spectrum of an autoionizing 1Σg- state has been excited via the intermediate c4 (v = 0) 1Πu Rydberg state. We present the analysis of the band located at Tv = 10 800.7 ± 2 cm-1 with respect to the intermediate state, 126 366 ± 11 cm-1 with respect to the ground state, approximately 700 cm-1 above the first ionization threshold. From the analysis a rotational constant of Bv = 1.700 ± 0.005 cm-1 has been determined for this band. Making use of the pulsed structure of the two radiation beams, lifetimes of several rotational levels of the intermediate state have been measured. We also report rotationally-averaged fluorescence lifetimes (300 K) of several excited electronic states accessible from the ground state by absorption of one photon in the range of 13.85-14.9 eV. The averaged lifetimes of the c4 (0) and c5 (0) states are 5.6 and 4.4 ns, respectively, while the b' (12), c'4 (4, 5, 6), and c'5 (0) states all have lifetimes in the range of hundreds of picoseconds.

  14. Report of the State of Nevada Commission on Nuclear Projects

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1990-12-01

    This third biennial Report of the Nevada Commission on Nuclear Projects has been prepared in fulfillment of the requirements of NRS 459.0092, which stipulates that the Commission shall report to the Governor and Legislature on any matter relating to radioactive waste disposal the Commission deems appropriate and advise and make recommendations on the policy of the State concerning nuclear waste disposal projects. Chapter One of the Report presents a brief overview of the Commission`s functions and statutory charges. It also contains a summary of developments which have affected the overall nuclear waste disposl issue since the last Commission Report was published in November, 1988. Chapter Two contains a synthesis of Commission activities and reports on the findings of the Commission relative to the geotechnical, environmental, socioeconomic, transportation, intergovernmental and legal aspects of federal and State nuclear waste program efforts.

  15. The energy structure and decay channels of the 4p6-shell excited states in Sr

    Science.gov (United States)

    Kupliauskienė, A.; Kerevičius, G.; Borovik, V.; Shafranyosh, I.; Borovik, A.

    2017-11-01

    The ejected-electron spectra arising from the decay of the 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } autoionizing states in Sr atoms have been studied precisely at the incident-electron energies close to excitation and ionization thresholds of the 4{{{p}}}6 subshell. The excitation behaviors for 58 lines observed between 12 and 21 eV ejected-electron kinetic energy have been investigated. Also, the ab initio calculations of excitation energies, autoionization probabilities and electron-impact excitation cross sections of the states 4p{}5{{nln}}{\\prime }{l}{\\prime }{n}{\\prime\\prime }{l}{\\prime\\prime } (nl = 4d, 5s, 5p; {n}{\\prime }{l}{\\prime } = 4d, 5s, 5p; {n}{\\prime\\prime }{l}{\\prime\\prime } = 5s, 6s, 7s, 8s, 9s, 5p, 6p, 5d, 6d, 7d, 8d, 4f, 5g) have been performed by employing the large-scale configuration-interaction method in the basis of the solutions of Dirac–Fock–Slater equations. The obtained experimental and theoretical data have been used for the accurate identification of the 60 lines in ejected-electron spectra and the 68 lines observed earlier in photoabsorption spectra. The excitation and decay processes for 105 classified states in the 4p55s{}2{nl}, 4p54d{}2{nl} and 4p55s{{nln}}{\\prime }{l}{\\prime } configurations have been considered in detail. In particular, most of the states lying below the ionization threshold of the 4p6 subshell at 26.92 eV possess up to four decay channels with formation of Sr+ in 5s{}1/2, 4d{}3/{2,5/2} and 5p{}1/{2,3/2} states. Two-step autoionization and two-electron Auger transitions with formation of Sr2+ in the 4p6 {}1{{{S}}}0 ground state are the main decay paths for high-lying autoionizing states. The excitation threshold of the 4{{{p}}}6 subshell in Sr has been established at 20.98 ± 0.05 eV.

  16. Base sequence and higher-order structure induce the complex excited-state dynamics in DNA.

    Science.gov (United States)

    Schwalb, Nina K; Temps, Friedrich

    2008-10-10

    The high photostability of DNA is commonly attributed to efficient radiationless electronic relaxation processes. We used femtosecond time-resolved fluorescence spectroscopy to reveal that the ensuing dynamics are strongly dependent on base sequence and are also affected by higher-order structure. Excited electronic state lifetimes in dG-doped d(A)20 single-stranded DNA and dG.dC-doped d(A)20.d(T)20 double-stranded DNA decrease sharply with the substitution of only a few bases. In duplexes containing d(AGA).d(TCT) or d(AG).d(TC) repeats, deactivation of the fluorescing states occurs on the subpicosecond time scale, but the excited-state lifetimes increase again in extended d(G) runs. The results point at more complex and molecule-specific photodynamics in native DNA than may be evident in simpler model systems.

  17. Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

    Science.gov (United States)

    Xie, Yu; Jiang, Shengshi; Zheng, Jie; Lan, Zhenggang

    2017-12-21

    Photoinduced excited-state electron and energy transfer processes are crucial in biological photoharvesting systems and organic photovoltaic devices. We discuss the construction of a diabatic vibronic Hamiltonian for the proper treatment of these processes involving the projection approach acting on both electronic wave functions and vibrational modes. In the electronic part, the wave function projection approach is used to construct the diabatic Hamiltonian in which both local excited states and charge-transfer states are included on the same footing. For the vibrational degrees of freedom, the vibronic couplings in the diabatic Hamiltonian are obtained in the basis of the pseudonormal modes localized on each monomer site by applying delocalized-to-localized mode projection. This systematic approach allows us to construct the vibronic diabatic Hamiltonian in molecular aggregates.

  18. Dynamics of charge-transfer excited states relevant to photochemical energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Lim, E.C.

    1993-01-01

    A systematic study of intramolecular photoassociation and photoinduced charge transfer (CT) was initiated in bichromophoric systems of M-X-M, where two identical aromatic hydrocarbons M are joined by X=CH[sub 2], O, NH, etc. Dinaphthylamines, dinaphthylethers, and dinaphthylmethanes in nonpolar solvents form triplet excimers, following inter system crossing of singlets to the triplet manifold; in polar solvents, the molecule forms an intramolecular CT state. The interchromophore interaction study was extended to N-phenyl-2-naphthylamine. The lowest excited singlet states of the dinaphthylamines were studied by semiempirical quantum chemical methods. Exciplex formation was studied in excited states of jet-cooled van der Waals complexes, such as fluorene/substituted benzenes and 1-cyanonaphthalene-aliphatic amines.

  19. Excited state potential energy surfaces of bistridentate RuII complexes - A TD-DFT study

    Science.gov (United States)

    Österman, Tomas; Persson, Petter

    2012-10-01

    Time-dependent density functional theory (TD-DFT) calculations have been used to investigate low-energy singlet and triplet excited state potential energy surfaces (PES) of two prototype RuII-bistridentate complexes: [RuII(tpy)2]2+ (tpy is 2,2':6',2''-terpyridine) and [RuII(dqp)2]2+ (dqp is 2,6-di(quinolin-8-yl)pyridine). Solvent effects were considered using a self-consistent reaction field scheme. The calculations provide information about the excited state manifold along pathways for activated decay of metal-to-ligand charge-transfer (MLCT) excited states via metal-centered (MC) states for the two complexes. Significant differences in the energy profiles of the investigated PESs are explained through characterization of the electronic properties of the involved states calculated by the TD-DFT calculations. Finally, implications of the computational results for the design of octahedral metal complexes utilizing ligand field splitting (LFS) strategies for efficient light-harvesting in photochemical applications such as artificial photosynthesis are discussed.

  20. One-group constant libraries for nuclear equilibrium state

    Energy Technology Data Exchange (ETDEWEB)

    Mizutani, Akihiko; Sekimoto, Hiroshi [Tokyo Inst. of Tech. (Japan). Research Lab. for Nuclear Reactors

    1997-03-01

    One-group constant libraries for the nuclear equilibrium state were generated for both liquid sodium cooled MOX fuel type fast reactor and PWR type thermal reactor with Equilibrium Cell Iterative Calculation System (ECICS) using JENDL-3.2, -3, -2 and ENDF/B-VI nuclear data libraries. ECICS produced one-group constant sets for 129 heavy metal nuclides and 1238 fission products. (author)

  1. Switching of the triplet excited state of rhodamine/naphthaleneimide dyads: an experimental and theoretical study.

    Science.gov (United States)

    Cui, Xiaoneng; Zhao, Jianzhang; Lou, Zhangrong; Li, Shujing; Wu, Huijian; Han, Ke-Li

    2015-01-02

    Rhodamine-bromonaphthaleneimide (RB-NI) and rhodamine-bromonaphthalenediimide (RB-NDI) dyads were prepared for switching of the triplet excited states. Bromo-NI or bromo-NDI parts in the dyads are the spin converters, i.e., the triplet state producing modules, whereas the RB unit is the acid-activatable electron donor/energy acceptor. NI and NDI absorb at 359 and 541 nm, and the T1 state energy levels are 2.25 and 1.64 eV, respectively. RB undertakes the reversible spirolactam (RB-c) ↔ opened amide (RB-o) transformation. RB-c shows no visible light absorption, and the triplet-state energy level is ET1 = 3.36 eV. Conversely RB-o shows strong absorption at 557 nm, and ET1 is 1.73 eV. Thus, the acid-activated fluorescence-resonance-energy-transfer (FRET) competes with the ISC of NI or NDI. No triplet state was observed for the dyads with nanosecond time-resolved transient absorption spectroscopy. Upon addition of acid, strong fluorescence and long-living triplet excited states were observed. Thus, the producing of triplet state is acid-activatable. The triplet state of RB-NI is localized on RB-o part, whereas in RB-NDI the triplet state is delocalized on both the NDI and RB-o units. The ISC of spin converter was not outcompeted by RET. These studies are useful for switching of triplet excited state.

  2. Radius of {sup 12}C in the excited 2{sub 2} {sup +} Hoyle state

    Energy Technology Data Exchange (ETDEWEB)

    Ogloblin, A.A.; Danilov, A.N.; Demyanova, A.S. [RRC Kurchatov Institute, Moscow (Russian Federation); Belyaeva, T.L. [Universidad Autonoma del Estado de Mexico, C.P. 50000, Toluca (Mexico); Goncharov, S.A. [Lomonosov Moscow State University, Moscow (Russian Federation)

    2013-04-15

    The differential cross sections of the inelastic {alpha} + {sup 12}C scattering leading to the excitation of the short-lived 2{sub 2} {sup +} (E{sub x} = 9.84 or 9.6 MeV) state in {sup 12}C have been analysed within a modified diffraction model. We determined the diffraction radii of {sup 12}C in this excited state at E{sub {alpha}} = 386 and 240 MeV and compared them with the diffraction radius for the 0{sub 2} {sup +} (E{sub x} = 7.65 MeV) Hoyle state. We found that the rms radii for the 2{sub 2} {sup +} state is left angle R(2{sub 2} {sup +}) right angle = 3.07 {+-} 0.13fm, which agrees well with the rms radius of the 0{sub 2} {sup +}, 7.65 MeV Hoyle state and is a factor of 1.3 larger than the rms radius for the ground state of {sup 12}C. The similarity between the rms radii of the 0{sub 2} {sup +} and 2{sub 2} {sup +} states provides a strong argument in favor of a hypothesis that the 2{sub 2} {sup +} state is the first member of a rotational band based on the 0{sub 2} {sup +} Hoyle state. (orig.)

  3. Characterising excited states in and around the semi-magic nucleus $^{68}$ Ni using Coulomb excitation and one-neutron transfer

    CERN Multimedia

    It is proposed to investigate the structure of excited states in $^{68, 70}$Ni(Z =28, N=40, 42) via the measurement of electromagnetic matrix elements in a Coulomb excitation experiment in order to study the N = 40 harmonic-oscillator shell and the Z = 28 proton shell closures. The measured B(E2) values connecting low-lying 0$^{+}$ and 2$^{+}$ can be compared to shell-model predictions. It is also proposed to perform the one-neutron transfer reaction ${d}$($^{68}$Ni,$^{69}$Ni)${p}$, with the aim of populating excited states in $^{69}$Ni. Comparisons with the states populated in the recently performed ${d}$($^{66}$Ni,$^{67}$Ni)${p}$ reaction will be useful in determining the role of the neutron $d_{5/2}$ orbital in the semi-magic properties of $^{68}$Ni.

  4. Phonon-like excitations in the two-state Bose-Hubbard model

    Directory of Open Access Journals (Sweden)

    I.V. Stasyuk

    2015-12-01

    Full Text Available The spectrum of phonon-like collective excitations in the system of Bose-atoms in optical lattice (more generally, in the system of quantum particles described by the Bose-Hubbard model is investigated. Such excitations appear due to displacements of particles with respect to their local equilibrium positions. The two-level model taking into account the transitions of bosons between the ground state and the first excited state in potential wells, as well as interaction between them, is used. Calculations are performed within the random phase approximation in the hard-core boson limit. It is shown that excitation spectrum in normal phase consists of the one exciton-like band, while in the phase with BE condensate an additional band appears. The positions, spectral weights and widths of bands strongly depend on chemical potential of bosons and temperature. The conditions of stability of a system with respect to the lowering of symmetry and displacement modulation are discussed.

  5. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.

    Science.gov (United States)

    Herbert, John M; Zhang, Xing; Morrison, Adrian F; Liu, Jie

    2016-05-17

    Single-excitation methods, namely, configuration interaction singles and time-dependent density functional theory (TDDFT), along with semiempirical versions thereof, represent the most computationally affordable electronic structure methods for describing electronically excited states, scaling as [Formula: see text] absent further approximations. This relatively low cost, combined with a treatment of electron correlation, has made TDDFT the most widely used excited-state quantum chemistry method over the past 20+ years. Nevertheless, certain inherent problems (beyond just the accuracy of this or that exchange-correlation functional) limit the utility of traditional TDDFT. For one, it affords potential energy surfaces whose topology is incorrect in the vicinity of any conical intersection (CI) that involves the ground state. Since CIs are the conduits for transitions between electronic states, the TDDFT description of photochemistry (internal conversion and intersystem crossing) is therefore suspect. Second, the [Formula: see text] cost can become prohibitive in large systems, especially those that involve multiple electronically coupled chromophores, for example, the antennae structures of light-harvesting complexes or the conjugated polymers used in organic photovoltaics. In such cases, the smallest realistic mimics might already be quite large from the standpoint of ab initio quantum chemistry. This Account describes several new computational methods that address these problems. Topology around a CI can be rigorously corrected using a "spin-flip" version of TDDFT, which involves an α → β spin-flipping transition in addition to occupied → virtual excitation of one electron. Within this formalism, singlet states are generated via excitation from a high-spin triplet reference state, doublets from a quartet, etc. This provides a more balanced treatment of electron correlation between ground and excited states. Spin contamination is problematic away from the

  6. Ground State and Excited State Tuning in Ferric Dipyrrin Complexes Promoted by Ancillary Ligand Exchange

    Energy Technology Data Exchange (ETDEWEB)

    Kleinlein, Claudia; Zheng, Shao-Liang; Betley, Theodore A.

    2017-04-24

    Three ferric dipyrromethene complexes featuring different ancillary ligands were synthesized by one electron oxidation of ferrous precursors. Four-coordinate iron complexes of the type (ArL)FeX2 [ArL = 1,9-(2,4,6-Ph3C6H2)2-5-mesityldipyrromethene] with X = Cl or tBuO were prepared and found to be high-spin (S = 5/2), as determined by superconducting quantum interference device magnetometry, electron paramagnetic resonance, and 57Fe Mössbauer spectroscopy. The ancillary ligand substitution was found to affect both ground state and excited properties of the ferric complexes examined. While each ferric complex displays reversible reduction and oxidation events, each alkoxide for chloride substitution results in a nearly 600 mV cathodic shift of the FeIII/II couple. The oxidation event remains largely unaffected by the ancillary ligand substitution and is likely dipyrrin-centered. While the alkoxide substituted ferric species largely retain the color of their ferrous precursors, characteristic of dipyrrin-based ligand-to-ligand charge transfer (LLCT), the dichloride ferric complex loses the prominent dipyrrin chromophore, taking on a deep green color. Time-dependent density functional theory analyses indicate the weaker-field chloride ligands allow substantial configuration mixing of ligand-to-metal charge transfer into the LLCT bands, giving rise to the color changes observed. Furthermore, the higher degree of covalency between the alkoxide ferric centers is manifest in the observed reactivity. Delocalization of spin density onto the tert-butoxide ligand in (ArL)FeCl(OtBu) is evidenced by hydrogen atom abstraction to yield (ArL)FeCl and HOtBu in the presence of substrates containing weak C–H bonds, whereas the chloride (ArL)FeCl2 analogue does not react under these conditions.

  7. Probing ground and low-lying excited states for HIO{sub 2} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Gabriel L. C. de [Departamento de Química, Universidade Federal de Mato Grosso, Cuiabá, Mato Grosso 78060-900 (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Itacoatiara, Amazonas 69100-000 (Brazil); Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Brown, Alex, E-mail: alex.brown@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)

    2014-12-21

    We present a computational study on HIO{sub 2} molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10{sup −3})

  8. Pulsed excitation of Rydberg-atom-pair states in an ultracold Cs gas

    CERN Document Server

    Saßmannshausen, Heiner; Deiglmayr, Johannes

    2015-01-01

    Pulsed laser excitation of a dense ultracold Cs vapor has been used to study the pairwise interactions between Cs atoms excited to $n$p$_{3/2}$ Rydberg states of principal quantum numbers in the range $n=22-36$. Molecular resonances were observed that correspond to excitation of Rydberg-atom-pair states correlated not only to the $n$p$_{3/2}+n$p$_{3/2}$ dissociation asymptotes, but also to $n$s$_{1/2}+(n+1)$s$_{1/2}$, $n$s$_{1/2}+n'$f$_{j}$, and $(n-4)$f$_{j}+(n-3)$f$_{j}$ $(j=5/2,7/2)$ dissociation asymptotes. These pair resonances are interpreted as arising from dipole-dipole, and higher long-range-interaction terms between the Rydberg atoms on the basis of i) their spectral positions, ii) their response to static and pulsed electric fields, and iii) millimeter-wave spectra between pair states correlated to different pair-dissociation asymptotes. The Rydberg-atom--pair states were found to spontaneously decay by Penning ionization and the dynamics of the ionization process were investigated during the first...

  9. Reactions of excited states of phenoxazin-3-one dyes with amino acids.

    Science.gov (United States)

    Villegas, M L; Bertolotti, S G; Previtali, C M; Encinas, M V

    2005-01-01

    The interaction with amino acids of the excited states of the N-oxide resazurin and its deoxygenation product resorufin, has been studied in aqueous solution at pH 7.5. Steady-state and time-resolved studies show that the fluorescence is quenched by amino acids. Complexation of the dyes in the ground state with aromatic amino acids was also observed. The singlet quenching is attributed to electron transfer from the amino acids to the excited dye based on the dependence of the bimolecular rate constants with the ionization potential of quenchers. Flash photolysis experiments allowed determination of the quenching rate constants for the triplet deactivation of dyes by several amino acids, as well as the characterization of the transients formed in the process. These data show that the triplet is also deactivated by an electron transfer process. However, the deactivation of the N-oxide dye by tryptophan can be described by a hydrogen atom transfer. The protolytic dissociation constants of the dye radical ions are reported. The irradiation of rezasurin in the presence of amino acids leads to deoxygenation of the dye to give resorufin. This process involves the triplet excited state of resazurin and is efficient only in the presence of amino acids containing the -SH group.

  10. Unbound Excited States of the N = 16 Closed Shell Nucleus 24O

    Science.gov (United States)

    Rogers, W. F.; MoNA Collaboration

    2015-10-01

    The energies of two low-lying neutron-unbound excited states of 24O, which were populated by proton-knockout reactions on 26F, have been measured using the MoNA and LISA arrays in combination with the Sweeper Magnet at the Coupled Cyclotron Facility at the NSCL using invariant mass spectroscopy. The current measurement confirms for the first time the separate identity of 2+ and (1+) neutron-unbound excited states in 24O with decay energies 0.51(5) MeV state and 1.20(7) MeV, respectively, to the 23O ground state. These measured decay energies are consistent with two previous lower resolution measurements to within 2 σ. The level energies for the two states are computed using the decay energies and the 1-neutron separation energy for 24O, resulting in 4.70(15) MeV for the 2+ state and 5.39(16) MeV for the (1+) state. Errors in the level energies are dominated by uncertainty in the 24O neutron separation energy, underscoring the need for a higher resolution 24O ground state mass measurement. Results will be compared with 3 phenomenological and 2 ab initio model calculations. Work Supported by NSF Grants PHY-0922335, PHY-0922409, PHY-0922446, PHY-0922462, PHY-0922473, PHY-0922537, PHY-0922559, PHY-0922622, PHY-0922794, PHY-0969173, PHY-1101745, PHY-1205357, PHY- 1205537.

  11. Contribution of the 4f-core-excited states in determination of atomic properties in the promethium isoelectronic sequence

    Science.gov (United States)

    Safronova, U. I.; Safronova, A. S.; Beiersdorfer, P.

    2013-09-01

    The atomic properties of Pm-like ions were comprehensively studied using relativistic atomic codes. Excitation energies of the 4f14nl (with nl=5s, 6s, 5p, 6p, 5d, 6d, and 5f) states in Pm-like ions with nuclear charge Z ranging from 74 to 100 are evaluated within the framework of relativistic many-body theory (RMBPT). First- and second-order Coulomb energies and first- and second-order Breit corrections to the energies are calculated. Two alternative treatments of the Breit interaction are investigated. In the first approach we omit Breit contributions to the Dirac-Fock potential and evaluate Coulomb and Breit-Coulomb corrections through second order perturbatively. In the second approach were included both Coulomb and Breit contributions on the same footing via the Breit-Dirac-Fock potential and then treat the residual Breit and Coulomb interactions perturbatively. The results obtained from the two approaches are compared and discussed. The important question of what is the ground state in Pm-like ions was answered. Properties of the 4f-core-excited states are evaluated using the multiconfiguration relativistic Hebrew University Lawrence Livermore atomic code (hullac code) and the Hartree-Fock-relativistic method (cowan code). We evaluate excitation energies and transition rates in Pm-like ions with nuclear charge Z ranging from 74 to 92. Our large scale calculations include the following set of configurations: 4f145s, 4f145p, 4f135s2, 4f135p2, 4f135s5p, 4f125s25p, 4f125s5p2, and 4f125p3. Trends of excitation energies as function of Z are shown graphically for selected states. Excitation energies, transition rates, and lifetimes in Pm-like tungsten are evaluated with additional inclusion of the 4f115s25p2, 4f115s5p3, 4f105s25p3, and 4f105s5p4 configurations. This represents an unusual example of an atomic system where the even-parity complex [4f145s+4f135s5p+4f125s5p2+4f115s5p3+4f105s5p4] and the odd-parity complex [4f145p+4f135s2+4f125s25p+4f115s25p2+4f105s25p3

  12. Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra pulses

    CSIR Research Space (South Africa)

    de Clercq, L

    2010-09-01

    Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible...

  13. Selective excitation of a vibrational level within the electronic ground state of a polyatomic molecule with ultra short pulses

    CSIR Research Space (South Africa)

    De Clercq, L

    2010-09-01

    Full Text Available Coherent control of the upper vibrational level populations in the electronic ground state of a polyatomic molecule was simulated. Results indicate that selective excitation of a specific upper state level is possible....

  14. Relaxation of vibrationally excited states in solid "nitrate-nitrite" binary systems

    Science.gov (United States)

    Aliev, A. R.; Akhmedov, I. R.; Kakagasanov, M. G.; Aliev, Z. A.; Gafurov, M. M.; Rabadanov, K. Sh.; Amirov, A. M.

    2017-10-01

    The processes of molecular relaxation in the solid NaNO3-NaNO2 and KNO3-KNO2 "nitrate-nitrite" binary systems have been investigated by Raman spectroscopy. The relaxation time of the vibration ν1(A) of an NO- 3 anion in the binary system is found to be shorter than that in individual nitrate. The increase in the relaxation rate is explained by the existence of an additional mechanism of relaxation of vibrationally excited states of the nitrate ion in the system. This mechanism is related to the excitation of vibration of another anion (NO- 2) and generation of a lattice phonon. It has been established that this relaxation mechanism is implemented provided that the difference between the frequencies of the aforementioned vibrations correspond to the range of sufficiently high density of states in the phonon spectrum.

  15. Importance of local exact exchange potential in hybrid functionals for accurate excited states

    CERN Document Server

    Kim, Jaewook; Hwang, Sang-Yeon; Ryu, Seongok; Choi, Sunghwan; Kim, Woo Youn

    2016-01-01

    Density functional theory has been an essential analysis tool for both theoretical and experimental chemists since accurate hybrid functionals were developed. Here we propose a local hybrid method derived from the optimized effective potential (OEP) method and compare its distinct features with conventional nonlocal ones from the Hartree-Fock (HF) exchange operator. Both are formally exact for ground states and thus show similar accuracy for atomization energies and reaction barrier heights. For excited states, the local version yields virtual orbitals with N-electron character, while those of the nonlocal version have mixed characters between N- and (N+1)-electron orbitals. As a result, the orbital energy gaps from the former well approximate excitation energies with a small mean absolute error (MAE = 0.40 eV) for the Caricato benchmark set. The correction from time-dependent density functional theory with a simple local density approximation kernel further improves its accuracy by incorporating multi-config...

  16. On large amplitude motions of simplest amides in the ground and excited electronic states

    Science.gov (United States)

    Tukachev, N. V.; Bataev, V. A.; Godunov, I. A.

    2017-01-01

    For the formamide, acetamide, N-methylformamide and N-methylacetamide molecules in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states equilibrium geometry parameters, harmonic vibrational frequencies, barriers to conformational transitions and conformer energy differences were estimated by means of MP2, CCSD(T), CASSCF, CASPT2 and MRCI ab initio methods. One-, two- and three-dimensional potential energy surface (PES) sections corresponding to different large amplitude motions (LAM) were calculated by means of MP2/aug-cc-pVTZ (S0) and CASPT2/cc-pVTZ (S1,T1). For these molecules, in each excited electronic state six minima were found on 2D PES sections. Using PES sections, different anharmonic vibrational problems were solved and the frequencies of large amplitude vibrations were determined.

  17. Heat capacity for systems with excited-state quantum phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Cejnar, Pavel; Stránský, Pavel, E-mail: stransky@ipnp.troja.mff.cuni.cz

    2017-03-18

    Heat capacities of model systems with finite numbers of effective degrees of freedom are evaluated using canonical and microcanonical thermodynamics. Discrepancies between both approaches, which are observed even in the infinite-size limit, are particularly large in systems that exhibit an excited-state quantum phase transition. The corresponding irregularity of the spectrum generates a singularity in the microcanonical heat capacity and affects smoothly the canonical heat capacity. - Highlights: • Thermodynamics of systems with excited-state quantum phase transitions • ESQPT-generated singularities of the microcanonical heat capacity • Non-monotonous dependences of the canonical heat capacity • Discord between canonical and microcanonical pictures in the infinite-size limit.

  18. On large amplitude motions of simplest amides in the ground and excited electronic states

    Directory of Open Access Journals (Sweden)

    Tukachev N.V.

    2017-01-01

    Full Text Available For the formamide, acetamide, N-methylformamide and N-methylacetamide molecules in the ground (S0 and lowest excited singlet (S1 and triplet (T1 electronic states equilibrium geometry parameters, harmonic vibrational frequencies, barriers to conformational transitions and conformer energy differences were estimated by means of MP2, CCSD(T, CASSCF, CASPT2 and MRCI ab initio methods. One-, two- and three-dimensional potential energy surface (PES sections corresponding to different large amplitude motions (LAM were calculated by means of MP2/aug-cc-pVTZ (S0 and CASPT2/cc-pVTZ (S1,T1. For these molecules, in each excited electronic state six minima were found on 2D PES sections. Using PES sections, different anharmonic vibrational problems were solved and the frequencies of large amplitude vibrations were determined.

  19. Two-neutrino double β decay of 96Zr to excited 2+ state of 96Mo

    Indian Academy of Sciences (India)

    pp. 517–522. Two-neutrino double β decay of 96Zr to excited. 2+ state of 96Mo. J SINGH1, R CHANDRA1, P K RAINA2 and P K RATH1. 1Department of Physics, University of Lucknow, Lucknow 226 007, India. 2Department of Physics, Indian Institute of Technology, Kharagpur 721 302, India. E-mail: pkrath lu@yahoo.co.in.

  20. Formation of H-atom in 2s excited state of proton-lithium and proton ...

    Indian Academy of Sciences (India)

    Abstract. The differential and total cross-sections have been investigated in the forma- tion of H-atom in the 2s excited state of proton-lithium and proton-sodium scattering by using the Coulomb projected Born (CPB) approximation in the energy range from 50 to. 10,000 keV. The results thus obtained are compared with the ...

  1. Determination of the Excited State Density Distribution within a Nonequilibrium, Freely Expanding Argon Arcjet Plume

    Science.gov (United States)

    1977-03-01

    transport problem for the radially dependent number densi- ties is required. The details of this inversion technique, based upon an " onion peel... chat of the arcJeC. The reference signal from the chopper and the preampllfled photomultlpller cube output signal were input to a PAR ® synchronous...condition for equilibrium with the free electron density and thus shows Chat the four lowest excited states are demonstrably nonequllibrium and lie

  2. The Microwave Spectroscopy of HCOO^{13}CH_3 in the Second Torsional Excited State

    Science.gov (United States)

    Kobayashi, Kaori; Kuwahara, Takuro; Urata, Yuki; Ohashi, Nobukimi; Fujitake, Masaharu

    2017-06-01

    Methyl formate (HCOOCH_3) is an abundant interstellar molecule, found almost everywhere in the star-forming region. The interstellar abundance of the ^{13}C is about 1/50 of ^{12}C. The ^{13}C substituted methyl formate in the ground and first excited states were already found toward massive star-forming regions including Orion KL. With the aid of the state-of-the-art telescope like ALMA, the pure rotational transitions in the second torsional excited may be identified in the near future and laboratory data are necessary. We recorded the spectra of HCOOCH_3 below 340 GHz by using conventional source-modulation microwave spectrometer. The assignment of the pure rotational spectra in the second torsional excited state and the analysis by using pseudo-PAM Hamiltonian, which was effective to analyze the normal species, will be reported. C. Favre, M. Carvajal, D. Field, J. K. Jørgensen, S. E. Bisschop, N. Brouillet, D. Despois, A. Baudry, I. Kleiner, E. A. Bergin, N. R. Crockett, J. L. Neill, L. Marguès, T. R. Huet, and J. Demaison, Astrophys. J. Suppl. Ser. 215, 25 (2014).

  3. Electronic structures and population dynamics of excited states of xanthione and its derivatives

    Science.gov (United States)

    Fedunov, Roman G.; Rogozina, Marina V.; Khokhlova, Svetlana S.; Ivanov, Anatoly I.; Tikhomirov, Sergei A.; Bondarev, Stanislav L.; Raichenok, Tamara F.; Buganov, Oleg V.; Olkhovik, Vyacheslav K.; Vasilevskii, Dmitrii A.

    2017-09-01

    A new compound, 1,3-dimethoxy xanthione (DXT), has been synthesized and its absorption (stationary and transient) and luminescence spectra have been measured in n-hexane and compared with xanthione (XT) spectra. The pronounced broadening of xanthione vibronic absorption band related to the electronic transition to the second singlet excited state has been observed. Distinctions between the spectra of xanthione and its methoxy derivatives are discussed. Quantum chemical calculations of these compounds in the ground and excited electronic states have been accomplished to clarify the nature of electronic spectra changes due to modification of xanthione by methoxy groups. Appearance of a new absorption band of DXT caused by symmetry changes has been discussed. Calculations of the second excited state structure of xanthione and its methoxy derivatives confirm noticeable charge transfer (about 0.1 of the charge of an electron) from the methoxy group to thiocarbonyl group. Fitting of the transient spectra of XT and DXT has been fulfilled and the time constants of internal conversion S2 →S1 and intersystem crossing S1 →T1 have been determined. A considerable difference between the time constants of internal conversion S2 →S1 in XT and DXT is uncovered.

  4. Excited-State Interaction of Semiconducting Single-Walled Carbon Nanotubes with Their Wrapping Polymers.

    Science.gov (United States)

    Kahmann, Simon; Salazar Rios, Jorge M; Zink, Matthias; Allard, Sybille; Scherf, Ullrich; Dos Santos, Maria C; Brabec, Christoph J; Loi, Maria A

    2017-11-16

    We employ photoluminescence and pump-probe spectroscopy on films of semiconducting single-walled carbon nanotubes (CNTs) of different chirality wrapped with either a wide band gap polyfluorene derivative (PF12) or a polythiophene with narrower gap (P3DDT) to elucidate the excited states' interplay between the two materials. Excitation above the polymer band gap gives way to an ultrafast electron transfer from both polymers toward the CNTs. By monitoring the hole polaron on the polymer via its mid infrared signature, we show that also illumination below the polymer band gap leads to the formation of this fingerprint and infer that holes are also transferred toward the polymer. As this contradicts the standard way of discussing the involved energy levels, we propose that polymer-wrapped CNTs should be considered as a single hybrid system, exhibiting states shared between the two components. This proposition is validated through quantum chemical calculations that show hybridization of the first excited states, especially for the thiophene-CNT sample.

  5. Nuclear equation of state for core-collapse supernova simulations with realistic nuclear forces

    Energy Technology Data Exchange (ETDEWEB)

    Togashi, H., E-mail: hajime.togashi@riken.jp [Nishina Center for Accelerator-Based Science, Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Nakazato, K. [Faculty of Arts and Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan); Takehara, Y.; Yamamuro, S.; Suzuki, H. [Department of Physics, Faculty of Science and Technology, Tokyo University of Science, Yamazaki 2641, Noda, Chiba 278-8510 (Japan); Takano, M. [Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Department of Pure and Applied Physics, Graduate School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan)

    2017-05-15

    A new table of the nuclear equation of state (EOS) based on realistic nuclear potentials is constructed for core-collapse supernova numerical simulations. Adopting the EOS of uniform nuclear matter constructed by two of the present authors with the cluster variational method starting from the Argonne v18 and Urbana IX nuclear potentials, the Thomas–Fermi calculation is performed to obtain the minimized free energy of a Wigner–Seitz cell in non-uniform nuclear matter. As a preparation for the Thomas–Fermi calculation, the EOS of uniform nuclear matter is modified so as to remove the effects of deuteron cluster formation in uniform matter at low densities. Mixing of alpha particles is also taken into account following the procedure used by Shen et al. (1998, 2011). The critical densities with respect to the phase transition from non-uniform to uniform phase with the present EOS are slightly higher than those with the Shen EOS at small proton fractions. The critical temperature with respect to the liquid–gas phase transition decreases with the proton fraction in a more gradual manner than in the Shen EOS. Furthermore, the mass and proton numbers of nuclides appearing in non-uniform nuclear matter with small proton fractions are larger than those of the Shen EOS. These results are consequences of the fact that the density derivative coefficient of the symmetry energy of our EOS is smaller than that of the Shen EOS.

  6. Photoluminescence and excited states dynamics in PbWO4:Pr3+ crystals

    CERN Document Server

    Auffray, E; Shalapska, T; Zazubovich, S

    2014-01-01

    Luminescence and photo-thermally stimulated defects creation processes are studied for a Pr3+-doped PbWO4 crystal at 4.2-400 K under excitation in the band-to-band, exciton, and charge-transfer transitions regions, as well as in the Pr3+-related absorption bands. Emission spectra of Pr3+ centers depend on the excitation energy, indicating the presence of Pr3+ centers of two types. The origin of these centers is discussed. The 2.03-2.06 eV emission, arising from the D-1(2) -> H-3(4) transitions of Pr3+ ions, is found to be effectively excited in a broad intense absorption band peaking at 4.2 K at 3.92 eV. By analogy with some other Pe(3+)-doped compounds, this band is suggested to arise from an electron transfer from an impurity Pr3+ ion to the crystal lattice W6+ or Pb2+ ions. The dynamics of the Pr3+-related excited states is clarified. In the PbWO4:Pr crystal studied, the concentration of single oxygen and lead vacancies as traps for electrons and holes is found to be negligible.

  7. Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene–Fullerene Complex: Implications for Organic Solar Cells

    KAUST Repository

    Joseph, Saju

    2017-10-02

    We characterize the dynamic nature of the lowest excited state in a pentacene/C60 complex on the femtosecond time scale, via a combination of ab initio molecular dynamics and time-dependent density functional theory. We analyze the correlations between the molecular vibrations of the complex and the oscillations in the electron-transfer character of its lowest excited state, which point to vibration-induced coherences between the (pentacene-based) local-excitation (LE) state and the complex charge-transfer (CT) state. We discuss the implications of our results on this model system for the exciton-dissociation process in organic solar cells.

  8. Theoretical Insights Into the Excited State Double Proton Transfer Mechanism of Deep Red Pigment Alkannin.

    Science.gov (United States)

    Zhao, Jinfeng; Dong, Hao; Zheng, Yujun

    2018-01-24

    As the most important component of deep red pigments, alkannin is investigated theoretically in detail based on time-dependent density functional theory (TDDFT) method. Exploring the dual intramolecular hydrogen bonds (O1-H2···O3 and O4-H5···O6) of alkannin, we confirm the O1-H2···O3 may play a more important role in the first excited state than the O4-H5···O6 one. Infrared (IR) vibrational analyses and subsequent charge redistribution also support this viewpoint. Via constructing the S1-state potential energy surface (PES) and searching transition state (TS) structures, we illuminate the excited state double proton transfer (ESDPT) mechanism of alkannin is the stepwise process that can be first launched by the O1-H2···O3 hydrogen bond wire in gas state, acetonitrile (CH3CN) and cyclohexane (CYH) solvents. We present a novel mechanism that polar aprotic solvents can contribute to the first-step proton transfer (PT) process in the S1 state, and nonpolar solvents play important roles in lowering the potential energy barrier of the second-step PT reaction.

  9. Excited state transitions in 2νββ decays of {sup 76}Ge from phase I of the GERDA experiment

    Energy Technology Data Exchange (ETDEWEB)

    Wester, Thomas [IKTP, TU Dresden (Germany); Collaboration: GERDA-Collaboration

    2015-07-01

    The Germanium Detector Array GERDA is an experiment searching for the neutrinoless double beta decay in {sup 76}Ge. The observation of such a decay would prove the Majorana character of the neutrino and could provide a hint about the neutrino mass and possibly identify the mass hierarchy scheme. The half life of the neutrino accompanied double beta decay (2νββ) of {sup 76}Ge has been measured by GERDA Phase I with unprecedented precision. The observed spectrum comes mostly from the transition from the 0{sup +} ground state of {sup 76}Ge to the 0{sup +} ground state of {sup 76}Se. However, phase space suppressed 2νββ transitions to excited states of {sup 76}Se exist as well. At current state, the predicted half lives for such decays vary by several orders of magnitude, due to the large uncertainties in the nuclear matrix elements and the available nuclear models. An observation would therefore help to constrain model parameters and decrease those uncertainties. This study investigates the 2νββ decay of {sup 76}Ge into various excited states of {sup 76}Se using the data from GERDA Phase I. An event counting method is performed based on coincident events between two germanium detectors. Several analysis parameters are optimized with the help of Monte Carlo simulations to maximize the sensitivity. The presentation discusses the procedure and results of this analysis.

  10. Equation of Motion Theory for Excited States in Variational Monte Carlo and the Jastrow Antisymmetric Geminal Power in Hilbert Space.

    Science.gov (United States)

    Zhao, Luning; Neuscamman, Eric

    2016-08-09

    An equation of motion formalism for excited states in variational Monte Carlo is derived, and a pilot implementation for the Jastrow-modified antisymmetric geminal power is tested. In single excitations across a range of small molecules, this combination is shown to be intermediate in accuracy between configuration interaction singles and equation of motion coupled cluster with singles and doubles. For double excitations, energy errors are found to be similar to those for coupled cluster.

  11. The effect of solvent additives on morphology and excited-state dynamics in PCPDTBT:PCBM photovoltaic blends.

    Science.gov (United States)

    Etzold, Fabian; Howard, Ian A; Forler, Nina; Cho, Don M; Meister, Michael; Mangold, Hannah; Shu, Jie; Hansen, Michael Ryan; Müllen, Klaus; Laquai, Frédéric

    2012-06-27

    The dependence of the thin film morphology and excited-state dynamics for the low-bandgap donor-acceptor copolymer poly[2,6-(4,4-bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBT) in pristine films and in blends (1:2) with [6,6]-phenyl-C(61)-butyric acid methyl ester (PCBM) on the use of the solvent additive 1,8-octanedithiol (ODT) is studied by solid-state nuclear magnetic resonance (NMR) spectroscopy and broadband visible and near-infrared pump-probe transient absorption spectroscopy (TAS) covering a spectral range from 500-2000 nm. The latter allows monitoring of the dynamics of excitons, bound interfacial charge-transfer (CT) states, and free charge carriers over a time range from femto- to microseconds. The broadband pump-probe experiments reveal that excitons are not only generated in the polymer but also in PCBM-rich domains. Depending on the morphology controlled by the use of solvent additives, polymer excitons undergo mainly ultrafast dissociation (photovoltaic devices.

  12. Excitation of the 3p states in electron-sodium scattering at intermediate energies

    Science.gov (United States)

    Kamali, M. Z. M.; Wong, B. R.; Chin, J. H.; Ratnavelu, K.

    2014-03-01

    A coupled-channel-optical method (CCOM), to investigate the excitation of the 3p states for e--Na scattering at intermediate energies, is reported. Nine atomic states( Na(3s), Na(3p), Na(4s), Na(3d), Na(4p), Na(5s), Na(4d), Na(5p), Na(5d) ) together with three optical potentials are used in this work. The inelastic differential cross sections (DCS) as well as the reduced Stokes parameters are compared with latest theoretical data and experimental measurements.

  13. Relative entropy of excited states in conformal field theories of arbitrary dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Sárosi, Gábor [Theoretische Natuurkunde, Vrije Universiteit Brussels and International Solvay Institutes,Pleinlaan 2, Brussels, B-1050 (Belgium); David Rittenhouse Laboratory, University of Pennsylvania,Philadelphia, PA 19104 (United States); Ugajin, Tomonori [Kavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106 (United States)

    2017-02-10

    Extending our previous work, we study the relative entropy between the reduced density matrices obtained from globally excited states in conformal field theories of arbitrary dimensions. We find a general formula in the small subsystem size limit. When one of the states is the vacuum of the CFT, our result matches with the holographic entanglement entropy computations in the corresponding bulk geometries, including AdS black branes. We also discuss the first asymmetric part of the relative entropy and comment on some implications of the results on the distinguishability of black hole microstates in AdS/CFT.

  14. The Total Gaussian Class of Quasiprobabilities and its Relation to Squeezed-State Excitations

    Science.gov (United States)

    Wuensche, Alfred

    1996-01-01

    The class of quasiprobabilities obtainable from the Wigner quasiprobability by convolutions with the general class of Gaussian functions is investigated. It can be described by a three-dimensional, in general, complex vector parameter with the property of additivity when composing convolutions. The diagonal representation of this class of quasiprobabilities is connected with a generalization of the displaced Fock states in direction of squeezing. The subclass with real vector parameter is considered more in detail. It is related to the most important kinds of boson operator ordering. The properties of a specific set of discrete excitations of squeezed coherent states are given.

  15. Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

    2013-07-17

    We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV.

  16. Excitation functions of proton induced nuclear reactions on natW up to 40 MeV

    Science.gov (United States)

    Khandaker, M. U.; Uddin, M. S.; Kim, K.; Lee, M. W.; Kim, K. S.; Lee, Y. S.; Kim, G. N.; Cho, Y. S.; Lee, Y. O.

    2008-04-01

    We measured the excitation functions for the production of the 181,182m,182g,183,184g,186Re radioisotopes from proton bombardment of natural tungsten by using a stacked-foil activation technique in the energy range from threshold energy to 40 MeV at the MC50 cyclotron of the Korea Institute of Radiological and Medical Science. The results were compared with the earlier reported experimental data and the model calculations using codes TALYS and ALICE-IPPE. The present values are in good agreement with some of the previously reported literature. The integral yields for thick targets were also deduced from the measured excitation functions of the produced radioisotopes. The deduced yield values were compared with the available directly measured thick target yield, and found acceptable agreement. The investigated radioisotope 186Re has remarkable applications in the field of nuclear medicine, whereas the data of 183,184gRe have potential applications in thin layer activation analysis.

  17. Localized Beampipe Heating due to $e^{-}$ Capture and Nuclear Excitation in Heavy Ion Colliders

    CERN Document Server

    Klein, S R

    2001-01-01

    At heavy ion colliders, two major sources of beam loss are expected to be $e^+e^-$ production, where the $e^-$ is bound to one of the nuclei, and photonuclear excitation and decay via neutron emission. Both processes alter the ions charged to mass ratio by well defined amounts, creating beams of particles with altered magnetic rigidity. These beams will deposit their energy in a localized region of the accelerator, causing localized heating, The size of the target region depends on the collider optics. For medium and heavy ions, at design luminosity at the Large Hadron Collider, local heating may be more than an order of magnitude higher than expected. This could cause magnet quenches if the local cooling is inadequate. The altered-rigidity beams will also produce localized radiation damage. The beams could also be extracted and used for fixed target experiments.

  18. Excitation functions of the proton induced nuclear reactions on natural zirconium

    Science.gov (United States)

    Uddin, M. S.; Khandaker, M. U.; Kim, K. S.; Lee, Y. S.; Lee, M. W.; Kim, G. N.

    2008-01-01

    Excitation functions for the natZr(p,xn) 90,92m,95g,96Nb, natZr(p,pxn) 88,89Zr, and natZr(p,αxn) 86,87m,87mg,88Y reactions were measured by using a stacked-foil activation technique in combination with HPGe γ-ray spectroscopy using the MC50 cyclotron at the Korean Institute of Radiological and Medical Sciences, Korea. In this way the proton beam energy range 4-40 MeV was covered. We report new data for these processes. The data were compared with the results of precompound-hybrid model calculations, whereby only a partial agreement was obtained.

  19. Efficient enhancement of below-threshold harmonic generation by laser-driven excited states of Cs atom

    Science.gov (United States)

    Guo, Qiao-Ling; Li, Peng-Cheng; Zhou, Xiao-Xin; Chu, Shih-I.

    2018-03-01

    We propose an efficient method for the enhancement of below-threshold harmonic generation (BTHG) by mid-infrared laser-driven excited states of a Cs atom. The BTHG is calculated by solving three-dimensional time-dependent Schrödinger equation accurately and efficiently using the time-dependent generalized pseudospectral method. We adopt an excited state as the initial state of a Cs atom. As a result, the BTHG is significantly enhanced by two orders of magnitude compared with the case of the initial ground state. Furthermore, we find that a single vacuum-ultraviolet pulse can be generated by mid-infrared laser-driven excited states by superposing several below-threshold harmonics of a Cs atom. Our finding suggests that the generation of below-threshold harmonics by laser-driven excited states of an atom can provide a powerful methodology for the production of intense vacuum-ultraviolet pulses.

  20. Pulse Design in Solid-State Nuclear Magnetic Resonance

    DEFF Research Database (Denmark)

    Palani, Ravi Shankar

    The work presented in this dissertation is centred on the theory of experimental methods in solid-state Nuclear Magnetic Resonance (NMR) spectroscopy, which deals with interaction of electromagnetic radiation with nuclei in a magnetic field and possessing a fundamental quantum mechanical property...

  1. The Hoyle state in nuclear lattice effective field theory

    Indian Academy of Sciences (India)

    2014-10-08

    Oct 8, 2014 ... We review the calculation of the Hoyle state of 12C in nuclear lattice effective field theory (NLEFT) and its anthropic implications in the nucleosynthesis of 12C and 16O in red giant stars. We also analyse the extension of NLEFT to the regime of medium-mass nuclei, with emphasis on the determination of the ...

  2. The Hoyle state in nuclear lattice effective field theory

    Indian Academy of Sciences (India)

    Abstract. We review the calculation of the Hoyle state of 12C in nuclear lattice effective field theory (NLEFT) and its anthropic implications in the nucleosynthesis of 12C and 16O in red giant stars. We also analyse the extension of NLEFT to the regime of medium-mass nuclei, with emphasis on the determination of the ...

  3. Nuclear matter equation of state and σ-meson parameters

    Indian Academy of Sciences (India)

    Abstract. We try to determine phenomenologically the extent of in-medium modifi- cation of σ-meson parameters so that the saturation observables of the nuclear matter equation of state (EOS) are reproduced. To calculate the EOS we have used Brueckner–. Bethe–Goldstone formalism with Bonn potential as two-body ...

  4. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    Science.gov (United States)

    Gil, Michał; Kijak, Michał; Piwoński, Hubert; Herbich, Jerzy; Waluk, Jacek

    2017-03-01

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters. We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donor-acceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  5. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał

    2017-02-03

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  6. Nuclear excitation functions from 40 to 200 MeV proton irradiation of terbium

    Energy Technology Data Exchange (ETDEWEB)

    Engle, Jonathan W., E-mail: jwengle@lanl.gov; Mashnik, Stepan G.; Parker, Lauren A.; Jackman, Kevin R.; Bitteker, Leo J.; Ullmann, John L.; Gulley, Mark S.; Pillai, Chandra; John, Kevin D.; Birnbaum, Eva R.; Nortier, Francois M.

    2016-01-01

    Nuclear formation cross sections are reported for 26 radionuclides, measured with 40–200 MeV proton irradiations of terbium foils. These data provide the basis for the production of medically relevant radionuclides (e.g., {sup 152}Tb, {sup 155}Tb, {sup 155}Eu, and {sup 156}Eu) and {sup 153}Gd, a potential source used in ongoing efforts to characterize stellar nucleosynthesis routes. Computational predictions from the ALICE2011, CEM03.03, Bertini, and INCL + ABLA codes are compared with newly measured data to contribute to the ongoing process of code development, and yields are calculated for selected radionuclides using measured data.

  7. Preconditioning and excitability of the human orbicularis oculi reflex as a function of state.

    Science.gov (United States)

    Silverstein, L D; Graham, F K; Calloway, J M

    1980-04-01

    Reflex excitability and unstimulated activity of orbicularis oculi were found to vary as a function of state but the effects of weak conditioning stimuli, preceding reflex stimulation by 30--210 msec, were independent of state. Electromyographic activity was recorded from 23 young adults: 12 subjects with eyes closed during quiet wakefulness, 3 subjects during all-night sleep, 8 subjects during an afternoon nap. Stimulation with a 50 msec, 105 dB(A) white noise burst elicited a reflex response in 92% of waking trials and 87% of trials during REM sleep, but responses occurred in only 54% of trials during NREM sleep. Further, response latency was longer and magnitude less during the NREM state. Despite the differences in reflex excitability associated with state, state did not affect the modifications of reflex activity produced by a 20 msec, 70 dB(A) conditioning tone. At all lead intervals, reflex magnitude was reduced by the weak prestimulation even though, at the shortest interval, reflex activity was initiated more rapidly. The discordant changes in reflex size and latency have been seen in previous waking studies and appear to be mediated by different mechanisms. The persistence of both effects during sleep suggests that neither effect depends on high-level central processes.

  8. Excited-state dynamics in fac-[Re(CO)3(Me4phen)(L)]+.

    Science.gov (United States)

    Patrocinio, Antonio Otavio T; Brennaman, M Kyle; Meyer, Thomas J; Murakami Iha, Neyde Y

    2010-11-25

    Excited-state dynamics in fac-[Re(CO)(3)(Me(4)phen)(cis-L)](+) (Me(4)phen = 3,4,7,8-tetramethyl-1,10-phenanthroline, L = 4-styrylpyridine (stpy) or 1,2-bis(4-pyridyl)ethylene (bpe)) were investigated by steady-state and time-resolved techniques. A complex equilibrium among three closely lying excited states, (3)IL(cis-L), (3)MLCT(Re→Me(4)phen), and (3)IL(Me(4)phen), has been established. Under UV irradiation, cis-to-trans isomerization of coordinated cis-L is observed with a quantum yield of 0.15 in acetonitrile solutions. This photoreaction competes with radiative decay from (3)MLCT(Re→Me(4)phen) and (3)IL(Me(4)phen) excited states, leading to a decrease in the emission quantum yield relative to the nonisomerizable complex fac-[Re(CO)(3)(Me(4)phen)(bpa)](+) (bpa = 1,2-bis(4-pyridyl)ethane). From temperature-dependent time-resolved emission measurements in solution and in poly(methyl methacrylate) (PMMA) films, energy barriers (ΔE(a)) for interconversion between (3)MLCT(Re→Me(4)phen) and (3)IL(Me(4)phen) emitting states were determined. For L = cis-stpy, ΔE(a) = 11 (920 cm(-1)) and 15 kJ mol(-1) (1254 cm(-1)) in 5:4 propionitrile/butyronitrile and PMMA, respectively. For L = cis-bpe, ΔE(a) = 13 kJ mol(-1) (1087 cm(-1)) in 5:4 propionitrile/butyronitrile. These energy barriers are sufficient to decrease the rate constant for internal conversion from higher-lying (3)IL(Me(4)phen) state to (3)MLCT(Re→Me(4)phen), k(i) ≅ 10(6) s(-1). The decrease in rate allows for the observation of intraligand phosphorescence, even in fluid medium at room temperature. Our results provide additional insight into the role of energy gap and excited-state dynamics on the photochemical and photophysical properties of Re(I) polypyridyl complexes.

  9. Characterization of excited-state reactions with instant spectra of fluorescence kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Tomin, Vladimir I., E-mail: tomin@apsl.edu.pl; Ushakou, Dzmitryi V.

    2015-10-15

    Comprehensible knowledge of the excited-state proton transfer processes in organic compounds is overwhelmingly important not only for physics, but also chemistry and Life Sciences, since they play a key role in main processes of photosynthesis and functioning of biological organisms. Moreover compounds with Excited-State Intramolecular Proton Transfer (ESIPT) are in the focus of the interest of scientists throughout the world, because dual fluorescence spectra of such objects corresponding to two forms of molecular structure (normal and photoproduct) are very sensitive to characteristics of molecular microenvironment. This property allows to use such substances as fluorescent probes for diverse applications in chemistry and Life Sciences. But at the same time studying of proton transfer processes is not simple, because this process is characterized by extremely fast times (on picoseconds time scale and less order) and very often contribution of reverse reactions is essentially complicates an interpretation of observed properties of dual fluorescence. Hence, understanding of a role of reversible reactions is crucial for a comprehensive description of all processes accompanying excited state reactions. We discuss new approach for treatment ESIPT reaction on the basis of experimentally measured instant spectra of dual fluorescence and temporal behavior of ratiometric signal of normal to tautomer form intensities. Simple analytical expressions show in transparent way how to distinguish a degree of reverse reaction contribution to ratiometric signal. A validation of the approach under consideration is fulfilled with two different flavonols – 3-hydroxyflavone and 4′-(Dimethylamino)-3-hydroxyflavone – representing two extreme cases in affecting reversible reaction on dual emission. A comparing of new approach and traditional method when we analyze kinetics of separate the N* and T* fluorescence bands decays, has been carried out. - Highlights: • The excited-state

  10. Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines

    Science.gov (United States)

    Galasso, V.

    1997-02-01

    The electronic spectra of 1-azabicyclo[2.2.2]octane (ABCO), 1,4-diazabicyclo[2.2.2]octane (DABCO), and their [1.1.1] and [3.3.3] congeners have been studied at the ab initio level using the symmetry adapted cluster configuration interaction method. A comprehensive theoretical prediction of the discrete excitation spectra, up to the HOMO → 5s transition, is presented. All the low-lying singlet and triplet electronic states of these symmetric cage amines are found to have essentially Rydberg nature and originate from excitations out of the n-type molecular orbitals. The theoretical results correlate with the available spectroscopic data satisfactorily and provide quantitative support to a number of experimental assignments based on REMPI and MCD measurements.

  11. Dynamics of Excited State Proton Transfer in Nitro Substituted 10-Hydroxybenzo[h]quinolines

    DEFF Research Database (Denmark)

    Marciak, H; Hristova, S.; Deneva, V

    2017-01-01

    of the ground state enol–keto tautomeric equilibrium (ΔG values of 1.03 and 0.62 kcal mol−1 respectively for 2 and 3). The fluorescence stems from the keto form even if the enol form is optically excited as proven by the shape of the excitation spectra indicating that ESIPT takes place. The Stokes shift...... of the substituted compounds is substantially lower compared to HBQ, which follows from the fact that the substitution occurs in the formal cyclohexa-2,4-dienone moiety and leads to a decrease of the HOMO level of the keto tautomer. The pump–probe experiments show that in the nitro substituted HBQs 2 and 3 ESIPT...

  12. Highly-sensitive Eu3+ ratiometric thermometers based on excited state absorption with predictable calibration

    Science.gov (United States)

    Souza, Adelmo S.; Nunes, Luiz A. O.; Silva, Ivan G. N.; Oliveira, Fernando A. M.; da Luz, Leonis L.; Brito, Hermi F.; Felinto, Maria C. F. C.; Ferreira, Rute A. S.; Júnior, Severino A.; Carlos, Luís D.; Malta, Oscar L.

    2016-02-01

    Temperature measurements ranging from a few degrees to a few hundreds of Kelvin are of great interest in the fields of nanomedicine and nanotechnology. Here, we report a new ratiometric luminescent thermometer using thermally excited state absorption of the Eu3+ ion. The thermometer is based on the simple Eu3+ energy level structure and can operate between 180 and 323 K with a relative sensitivity ranging from 0.7 to 1.7% K-1. The thermometric parameter is defined as the ratio between the emission intensities of the 5D0 --> 7F4 transition when the 5D0 emitting level is excited through the 7F2 (physiological range) or 7F1 (down to 180 K) level. Nano and microcrystals of Y2O3:Eu3+ were chosen as a proof of concept of the operational principles in which both excitation and detection are within the first biological transparent window. A novel and of paramount importance aspect is that the calibration factor can be calculated from the Eu3+ emission spectrum avoiding the need for new calibration procedures whenever the thermometer operates in different media.Temperature measurements ranging from a few degrees to a few hundreds of Kelvin are of great interest in the fields of nanomedicine and nanotechnology. Here, we report a new ratiometric luminescent thermometer using thermally excited state absorption of the Eu3+ ion. The thermometer is based on the simple Eu3+ energy level structure and can operate between 180 and 323 K with a relative sensitivity ranging from 0.7 to 1.7% K-1. The thermometric parameter is defined as the ratio between the emission intensities of the 5D0 --> 7F4 transition when the 5D0 emitting level is excited through the 7F2 (physiological range) or 7F1 (down to 180 K) level. Nano and microcrystals of Y2O3:Eu3+ were chosen as a proof of concept of the operational principles in which both excitation and detection are within the first biological transparent window. A novel and of paramount importance aspect is that the calibration factor can be

  13. Spectroscopic and excited-state properties of tri-9-anthrylborane I: Solvent polarity effects.

    Science.gov (United States)

    Kitamura, Noboru; Sakuda, Eri

    2005-08-25

    Spectroscopic and excited-state properties of tri-9-anthrylborane (TAB), showing unique absorption and fluorescence characteristics originating from p(boron)-pi(anthryl group) orbital interactions, were studied in 12 solvents. Although the absorption maximum energy (nu(a)) of TAB which appeared at around 21 x 10(3) cm(-1) (band I) was almost independent of the solvent polarity parameter, f(X) (f(X) = (D(s) - 1)/(2D(s) + 1) - (n(2) - 1)/(2n(2) + 1) where D(s) and n represent the static dielectric constant and the refractive index of a solvent, respectively), the fluorescence maximum energy (nu(f)) showed a linear correlation with f(X). The f(X) dependence of the value of nu(a) - nu(f) demonstrated that the change in the dipole moment of TAB upon light excitation was approximately 8.0 D, indicating that absorption band I was ascribed to an intramolecular charge-transfer transition in nature. The excited electron of TAB was thus concluded to localize primarily on the p orbital of the boron atom. Furthermore, it was shown that the fluorescence lifetime and quantum yield of TAB varied from 11.8 to 1.1 ns and from 0.41 to 0.02, respectively, with an increase in f(X). The present results indicated that the nonradiative decay rate constant (k(nr)) of TAB was influenced significantly by f(X). Excited-state decay of TAB was understood by intramolecular back-electron (charge) transfer from the p orbital of the boron atom to the pi orbital of the anthryl group, which was discussed in terms of the energy gap dependence of k(nr). Specific solvent interactions of TAB revealed by the present spectroscopic and photophysical studies are also discussed.

  14. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    DEFF Research Database (Denmark)

    Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

    2008-01-01

    Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

  15. Assignment of the Charge-Transfer Excited States of Bis(N-Heterocyclic) Complexes of Copper(I)

    Science.gov (United States)

    1989-03-21

    Excited States of Bis (N-Heterocyclic) Complexes of Copper ( I) 12 PERSONAL AUTHOR(S( W. L. Parker and G. A. Crosby 3a 7YPE OF REPORT i b ’!ME COVERED ~ aDATE...Assignment of the Charge-Transfer Excited States of Bis (N-Heterocyclic) Complexes of Copper (I) by W. L. Parker and G. A. Crosby Prepared for Publication in...IHmited. Assignment of the Charge-Transfer Excited States of Bis (N-Heterocycl ic) Complexes of Copper (I) W. L. Parker and G. A. Crosby* Chemical

  16. UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases

    OpenAIRE

    Takaya, Tomohisa; Su, Charlene; de La Harpe, Kimberly; Crespo-Hernández, Carlos E.; Kohler, Bern

    2008-01-01

    Excited electronic states created by UV excitation of the diribonucleoside monophosphates ApA, ApG, ApC, ApU, and CpG were studied by the femtosecond transient-absorption technique. Bleach recovery signals recorded at 252 nm show that long-lived excited states are formed in all five dinucleosides. The lifetimes of these states exceed those measured in equimolar mixtures of the constituent mononucleotides by one to two orders of magnitude, indicating that electronic coupling between proximal n...

  17. Excited state absorption measurement in the 900-1250 nm wavelength range for bismuth-doped silicate fibers.

    Science.gov (United States)

    Yoo, Seongwoo; Kalita, Mridu P; Nilsson, Johan; Sahu, Jayanta

    2009-02-15

    The feasibility of direct laser diode pumping of Bi-doped fiber lasers at the wavelengths of 915 and 975 nm was examined by measuring excited state absorption in Bi-doped silicate fibers for the wavelength range of 900-1250 nm. When the Bi-doped fibers were pumped at 1047 nm a strong excited state absorption was found at 915 and 975 nm, whereas no significant excited state absorption was observed in the 1080 nm pumping band nor in the emission band, approximately 1160 nm, of Bi-doped fiber lasers.

  18. Photophysical Model of 10-Hydroxybenzo[h]quinoline: Internal Conversion and Excited State Intramolecular Proton Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Junghwa; Joo, Taiha [Pohang Univ. of Science and Technology, Pohang (Korea, Republic of)

    2014-03-15

    Photophysics of 10-hydroxybenzo[h]quinoline (HBQ) has been in controversy, in particular, on the nature of the electronic states before and after the excited state intramolecular proton transfer (ESIPT), even though the dynamics and mechanism of the ESIPT have been well established. We report highly time resolved fluorescence spectra over the full emission frequency regions of the enol and keto isomers and the anisotropy in time domain to determine the accurate rates of the population decay, spectral relaxation and anisotropy decay of the keto isomer. We have shown that the ∼300 fs component observed frequently in ESIPT dynamics arises from the S{sub 2}→S{sub 1} internal conversion in the reaction product keto isomer and that the ESIPT occurs from the enol isomer in S{sub 1} state to the keto isomer in S{sub 2} state.

  19. Vibrational dynamics of aniline (N2)1 clusters in their first excited singlet state

    Science.gov (United States)

    Hineman, M. F.; Kim, S. K.; Bernstein, E. R.; Kelley, D. F.

    1992-04-01

    The first excited singlet state S1 vibrational dynamics of aniline(N2)1 clusters are studied and compared to previous results on aniline(CH4)1 and aniline(Ar)1. Intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) rates fall between the two extremes of the CH4 (fast IVR, slow VP) and Ar (slow IVR, fast VP) cluster results as is predicted by a serial IVR/VP model using Fermi's golden rule to describe IVR processes and a restricted Rice-Ramsperger-Kassel-Marcus (RRKM) theory to describe unimolecular VP rates. The density of states is the most important factor determining the rates. Two product states, 00 and 10b1, of bare aniline and one intermediate state ˜(00) in the overall IVR/VP process are observed and time resolved measurements are obtained for the 000 and ˜(000) transitions. The results are modeled with the serial mechanism described above.

  20. An ALMA Imaging Study of Methyl Formate (HCOOCH3) in Torsionally Excited States toward Orion KL

    Science.gov (United States)

    Sakai, Yusuke; Kobayashi, Kaori; Hirota, Tomoya

    2015-04-01

    We recently reported the first identification of rotational transitions of methyl formate (HCOOCH3) in the second torsionally excited state toward Orion Kleinmann-Low (KL), observed with the Nobeyama 45 m telescope. In combination with the identified transitions of methyl formate in the ground state and the first torsional excited state, it was found that there is a difference in rotational temperature and vibrational temperature, where the latter is higher. In this study, high spatial resolution analysis by using Atacama Large Millimeter/Submillimeter Array (ALMA) science verification data was carried out to verify and understand this difference. Toward the Compact Ridge, two different velocity components at 7.3 and 9.1 km s-1 were confirmed, while a single component at 7.3 km s-1 was identified toward the Hot Core. The intensity maps in the ground, first, and second torsional excited states have quite similar distributions. Using extensive ALMA data, we determined the rotational and vibrational temperatures for the Compact Ridge and Hot Core by the conventional rotation diagram method. The rotational temperature and vibrational temperatures agree for the Hot Core and for one component of the Compact Ridge. At the 7.3 km s-1 velocity component for the Compact Ridge, the rotational temperature was found to be higher than the vibrational temperature. This is different from what we obtained from the results by using the single-dish observation. The difference might be explained by the beam dilution effect of the single-dish data and/or the smaller number of observed transitions within the limited range of energy levels (≤30 K) of Eu in the previous study.

  1. Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster

    Science.gov (United States)

    Garniron, Yann; Giner, Emmanuel; Malrieu, Jean-Paul; Scemama, Anthony

    2017-04-01

    A central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC) in the multi-exponential Jeziorski-Monkhorst formalism concerns the definition of the amplitudes of the single and double excitation operators appearing in the exponential wave operators. If the reference space is a complete active space (CAS), the number of these amplitudes is larger than the number of singly and doubly excited determinants on which one may project the eigenequation, and one must impose additional conditions. The present work first defines a state-specific reference-independent operator T˜ ^ m which acting on the CAS component of the wave function |Ψ0m⟩ maximizes the overlap between (1 +T˜ ^ m ) |Ψ0m⟩ and the eigenvector of the CAS-SD (Singles and Doubles) Configuration Interaction (CI) matrix |ΨCAS-SDm⟩ . This operator may be used to generate approximate coefficients of the triples and quadruples, and a dressing of the CAS-SD CI matrix, according to the intermediate Hamiltonian formalism. The process may be iterated to convergence. As a refinement towards a strict coupled cluster formalism, one may exploit reference-independent amplitudes provided by (1 +T˜ ^ m ) |Ψ0m⟩ to define a reference-dependent operator T^ m by fitting the eigenvector of the (dressed) CAS-SD CI matrix. The two variants, which are internally uncontracted, give rather similar results. The new MR-CC version has been tested on the ground state potential energy curves of 6 molecules (up to triple-bond breaking) and two excited states. The non-parallelism error with respect to the full-CI curves is of the order of 1 mEh.

  2. Electron impact excitation cross sections and rates from the ground state of atomic calcium

    CERN Document Server

    Samson, A M

    2001-01-01

    New R-matrix calculations are presented for electron excitation of atomic calcium. The target state expansion includes 22 states: 4s sup 2 sup 1 S; 4snl sup 1 sup , sup 3 L, where nl is 3d, 4p, 5s, 5p, 4d and 4f; 3d4p sup 1 sup , sup 3 P,D,F; and 4p sup 2 sup 3 P, sup 1 D, sup 1 S terms. The calculation is in LS coupling, and configuration interaction involving 3p subshell correlation is included. Electron impact excitation cross sections from the 4s sup 2 ground state to the next 10 states are tabulated for low energies, and thermally averaged effective collision strengths are tabulated over a range of electron temperatures from 1000 to 10,000 K. Comparisons are made with previous cross sections calculations for the 4s sup 2 -4s4p sup 3 P deg. transition; excellent agreement is found with experimentally derived rates for 4s sup 2 -4s4p sup 1 P deg

  3. Isovector monopole excitation energies

    Energy Technology Data Exchange (ETDEWEB)

    Bowman, J.D.; Lipparini, E.; Stringary, S.

    1987-11-05

    Using a hydrodynamical model whose parameters have been adjusted to fit the polarizability and excitation energy of the giant dipole nuclear resonance we predict excitation energies of the isovector monopole resonance. The predicted values are in good agreement with experimental data. The mass dependence of the excitation energy is strongly influenced by nuclear geometry.

  4. Hybrid lead halide perovskites for light energy conversion: Excited state properties and photovoltaic applications

    Science.gov (United States)

    Manser, Joseph S.

    The burgeoning class of metal halide perovskites constitutes a paradigm shift in the study and application of solution-processed semiconductors. Advancements in thin film processing and our understanding of the underlying structural, photophysical, and electronic properties of these materials over the past five years have led to development of perovskite solar cells with power conversion efficiencies that rival much more mature first and second-generation commercial technologies. It seems only a matter of time before the real-world impact of these compounds is put to the test. Like oxide perovskites, metal halide perovskites have ABX3 stoichiometry, where typically A is a monovalent cation, B a bivalent post-transition metal, and X a halide anion. Characterizing the behavior of photogenerated charges in metal halide perovskites is integral for understanding the operating principles and fundamental limitations of perovskite optoelectronics. The majority of studies outlined in this dissertation involve fundamental study of the prototypical organic-inorganic compound methylammonium lead iodide (CH3NH3PbI 3). Time-resolved pump-probe spectroscopy serves as a principle tool in these investigations. Excitation of a semiconductor can lead to formation of a number different excited state species and electronic complexes. Through analysis of excited state decay kinetics and optical nonlinearities in perovskite thin films, we identify spontaneous formation of a large fraction of free electrons and holes, whose presence is requisite for efficient photovoltaic operation. Following photogeneration of charge carriers in a semiconductor absorber, these species must travel large distances across the thickness of the material to realize large external quantum efficiencies and efficient carrier extraction. Using a powerful technique known as transient absorption microscopy, we directly image long-range carrier diffusion in a CH3NH3PbI 3 thin film. Charges are unambiguously shown to

  5. An analytical description of balanced steady-state free precession with finite radio-frequency excitation.

    Science.gov (United States)

    Bieri, Oliver

    2011-02-01

    Conceptually, the only flaw in the standard steady-state free precession theory is the assumption of quasi-instantaneous radio-frequency pulses, and 10-20% signal deviations from theory are observed for common balanced steady-state free precession protocols. This discrepancy in the steady-state signal can be resolved by a simple T(2) substitution taking into account reduced transverse relaxation effects during finite radio-frequency excitation. However, finite radio-frequency effects may also affect the transient phase of balanced steady-state free precession, its contrast or its spin-echo nature and thereby have an adverse effect on common steady-state free precession magnetization preparation methods. As a result, an in-depth understanding of finite radio-frequency effects is not only of fundamental theoretical interest but also has direct practical implications. In this article, an analytical solution for balanced steady-state free precession with finite radio-frequency pulses is derived for the transient phase (under ideal conditions) and in the steady state demonstrating that balanced steady-state free precession key features are preserved but revealing an unexpected dependency of finite radio-frequency effects on relaxation times for the transient decay. Finally, the mathematical framework reveals that finite radio-frequency theory can be understood as a generalization of alternating repetition time and fluctuating equilibrium steady-state free precession sequence schemes. Copyright © 2010 Wiley-Liss, Inc.

  6. Photocycloaddition of the T1 excited state of thioinosine to uridine and adenosine.

    Science.gov (United States)

    Wenska, Grazyna; Filipiak, Piotr; Burdziński, Gotard; Pedzinski, Tomasz; Hug, Gordon L; Gdaniec, Zofia

    2009-10-01

    Novel photoadducts were obtained by irradiation of thioinosine (6-thiopurine riboside, TI) in deaerated aqueous solution without and in the presence of uridine and adenosine. Excitation (lambda > 300 nm) of TI to its excited S2 state yields a single bimolecular photoproduct. It is a purine-pyrimidine diriboside in which the purine ring is attached to the amide nitrogen of 6-amino-4-thioxo-5-formamidopyrimidine. When TI was irradiated in the presence of an excess of adenosine, two photoproducts were isolated: diribosides of N-(4,6-diaminopirymidin-5-yl)-N-formyl-6-aminopurine and N-(4-amino-6-formylamino-pyrimidin-5-yl)-6-aminopurine, both containing a purine and a formylaminopyrimidine (Fapy) fragment. The photoreaction of TI with uridine gave two regioisomeric photoproducts identified as diribosides containing either 5- or 6-(purin-6-yl)uracil as aglycones. A multistep mechanism leading to the stable photoproducts is proposed. In the first step of the mechanism, the C=S group of the excited TI undergoes a [2 + 2] cycloaddition regioselectively to the N(7)=C(8) bond of the purine ring or adds in a non-regioselective manner to the C(5)=C(6) bond of uracil. The unstable photoproducts thus formed undergo a series of dark reactions at room temperature. The photocycloaddition reactions originate from the excited T1 state of TI. This conclusion is supported by a combination of evidence from reaction quenching studies using both steady-state quantum yield determinations and kinetics results from nanosecond laser flash photolysis. The T1 state of TI is quenched by other TI molecules in their S0 state (self-quenching) and also by uridine and adenosine, all with large rate constants (0.8-5) x 10(9) M(-1) s(-1). The quantum yields of the reactions are in general very low (phi(R) < or = 8 x 10(-3)). The sources of the inefficiency in the photocycloaddition of TI to uridine and adenosine are discussed. The photoproducts containing the Fapy residue undergo deformylation and

  7. Critical external fields for nuclear matter; localized hadronic states

    Energy Technology Data Exchange (ETDEWEB)

    Zverev, M.V.; Khodel' , V.A.

    1986-07-01

    The behavior of nuclear matter in an external static field acting in a region of finite dimensions is investigated. It is shown that, at some critical value V/sub c/ of the field intensity, nuclear matter is expelled from the region in which the field acts. The quantity V/sub c/ is estimated, and found to be almost an order of magnitude smaller than the Fermi energy. The use of a mechanical analogy reveals that the equilibrium equation for nuclear matter in an external field can have three types of solutions simultaneously, namely, the traditional bubble and soliton solutions and a new, hybrid solution, and allows the solution at a qualitative level of the problem of localized hadronic states.

  8. Energy cascades, excited state dynamics, and photochemistry in cob(III)alamins and ferric porphyrins.

    Science.gov (United States)

    Rury, Aaron S; Wiley, Theodore E; Sension, Roseanne J

    2015-03-17

    Porphyrins and the related chlorins and corrins contain a cyclic tetrapyrrole with the ability to coordinate an active metal center and to perform a variety of functions exploiting the oxidation state, reactivity, and axial ligation of the metal center. These compounds are used in optically activated applications ranging from light harvesting and energy conversion to medical therapeutics and photodynamic therapy to molecular electronics, spintronics, optoelectronic thin films, and optomagnetics. Cobalt containing corrin rings extend the range of applications through photolytic cleavage of a unique axial carbon-cobalt bond, permitting spatiotemporal control of drug delivery. The photochemistry and photophysics of cyclic tetrapyrroles are controlled by electronic relaxation dynamics including internal conversion and intersystem crossing. Typically the electronic excitation cascades through ring centered ππ* states, ligand to metal charge transfer (LMCT) states, metal to ligand charge transfer (MLCT) states, and metal centered states. Ultrafast transient absorption spectroscopy provides a powerful tool for the investigation of the electronic state dynamics in metal containing tetrapyrroles. The UV-visible spectrum is sensitive to the oxidation state, electronic configuration, spin state, and axial ligation of the central metal atom. Ultrashort broadband white light probes spanning the range from 270 to 800 nm, combined with tunable excitation pulses, permit the detailed unravelling of the time scales involved in the electronic energy cascade. State-of-the-art theoretical calculations provide additional insight required for precise assignment of the states. In this Account, we focus on recent ultrafast transient absorption studies of ferric porphyrins and corrin containing cob(III)alamins elucidating the electronic states responsible for ultrafast energy cascades, excited state dynamics, and the resulting photoreactivity or photostability of these compounds. Iron

  9. Role of final-state interactions in the calculation of the hadronic tensor of nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Celenza, L.S.; Shakin, C.M.; Wang, H. (Department of Physics and Center for Nuclear Theory, Brooklyn College of the City University of New York, Brooklyn, New York (USA))

    1991-10-01

    We develop methods for the calculation of the hadronic tensor that describes the response of nuclear matter to an electromagnetic probe and study the role of final-state interactions, making use of the theory of Horikawa, Lenz, and Mukhopadhyay. Recently, extensive calculations of such final-state interaction effects in quasielastic ({ital e},{ital e}{prime}) reactions have been performed by Chinn, Picklesimer, and Van Orden for finite nuclei. Our nuclear matter calculations reproduce the qualitative features found by those authors, including a significant quenching'' of the longitudinal response, if one uses a relativistic description of the process. While we are able to achieve an improved fit to a body of experimental data for the longitudinal response using this formalism, definitive conclusions cannot be drawn without performing a gauge-invariant calculation. We also find quenching of the transverse response in the region of the quasielastic peak; however, it is unclear as to whether that creates a problem for the theory, since the transverse response is known to have contributions from the excitation of the delta resonance and various multinucleon processes. As part of our study, we provide a spectral representation of the Green's function of a nucleon propagating in relativistic nuclear matter.

  10. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Guorong [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Neville, Simon P. [Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Schalk, Oliver [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, 106 91 Stockholm (Sweden); Sekikawa, Taro [Department of Applied Physics, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Ashfold, Michael N. R. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Worth, Graham A. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Stolow, Albert, E-mail: astolow@uottawa.ca [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Department of Physics, University of Ottawa, 150 Louis Pasteur, Ottawa, Ontario K1N 6N5 (Canada)

    2016-01-07

    The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A{sub 2}(πσ{sup ∗}) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B{sub 1}(π3p{sub y}) Rydberg state, followed by prompt internal conversion to the A{sub 2}(πσ{sup ∗}) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A{sub 2}(πσ{sup ∗}) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A{sub 2}(πσ{sup ∗}) state, facilitating wavepacket motion around the potential barrier in the N–CH{sub 3} dissociation coordinate.

  11. Nuclear theory group progress report and renewal proposal. December 1, 1978--November 30, 1979. [State Univ. of New York, Stony Brook

    Energy Technology Data Exchange (ETDEWEB)

    Brown, G E; Jackson, A D; Kuo, T T.S.

    1979-12-01

    The proposed work covers a broad range of topics in theoretical nuclear and intermediate-energy physics and in nuclear astrophysics. With free nucleon--nucleon interactions as a basis, effective forces in nuclei are constructed through a chain of field-theoretic, dispersions and many-body techniques. Dynamical theories of nuclear excitations are constructed. Infinite nuclear systems at a variety of densities are studied in order to determine reliable equations of state for nuclear and neutron matter. These equations of state are applied in astrophysical problems, such as the gravitational collapse of stars, as well as in standard nuclear contexts. Brief summaries of individual projects completed and planned are given. Completed research is reported in the appropriate places.

  12. EOMCC over excited state Hartree-Fock solutions (ESHF-EOMCC: An efficient approach for the entire ground state potential energy curves of higher-order bonds

    Directory of Open Access Journals (Sweden)

    Y. Sajeev

    2015-08-01

    Full Text Available The equation-of-motion coupled cluster (EOMCC method based on the excited state Hartree-Fock (ESHF solutions is shown to be appropriate for computing the entire ground state potential energy curves of strongly correlated higher-order bonds. The new approach is best illustrated for the homolytic dissociation of higher-order bonds in molecules. The required multireference character of the true ground state wavefunction is introduced through the linear excitation operator of the EOMCC method. Even at the singles and doubles level of cluster excitation truncation, the nonparallelity error of the ground state potential energy curve from the ESHF based EOMCC method is small.

  13. Photoelectron spectroscopy of hexachloroplatinate-nucleobase complexes: Nucleobase excited state decay observed via delayed electron emission

    Science.gov (United States)

    Sen, Ananya; Matthews, Edward M.; Hou, Gao-Lei; Wang, Xue-Bin; Dessent, Caroline E. H.

    2015-11-01

    We report low-temperature photoelectron spectra of isolated gas-phase complexes of the hexachloroplatinate dianion bound to the nucleobases uracil, thymine, cytosine, and adenine. The spectra display well-resolved, distinct peaks that are consistent with complexes where the hexachloroplatinate dianion is largely intact. Adiabatic electron detachment energies for the hexachloroplatinate-nucleobase complexes are measured as 2.26-2.36 eV. The magnitudes of the repulsive Coulomb barriers (RCBs) of the complexes are all ˜1.7 eV, values that are lower than the RCB of the uncomplexed PtCl62- dianion as a result of charge solvation by the nucleobases. In addition to the resolved spectral features, broad featureless bands indicative of delayed electron detachment are observed in the 193 nm photoelectron spectra of the four clusters. The 266 nm spectra of the PtCl62- ṡ thymine and PtCl62- ṡ adenine complexes also display very prominent delayed electron emission bands. These results mirror recent results on the related Pt(CN)42- ṡ nucleobase complexes [A. Sen et al., J. Phys. Chem. B 119, 11626 (2015)]. The observation of delayed electron emission bands in the PtCl62- ṡ nucleobase spectra obtained in this work, as for the previously studied Pt(CN)42- ṡ nucleobase complexes, is attributed to one-photon excitation of nucleobase-centred excited states that can effectively couple to the electron detachment continuum, producing strong electron detachment. Moreover, the selective, strong excitation of the delayed emission bands in the 266 nm spectra is linked to fundamental differences in the individual nucleobase photophysics at this excitation energy. This strongly supports our previous suggestion that the dianion within these clusters can be viewed as a "dynamic tag" which has the propensity to emit electrons when the attached nucleobase decays over a time scale long enough to allow autodetachment.

  14. Equation of state of dense nuclear matter and neutron star structure from nuclear chiral interactions

    Science.gov (United States)

    Bombaci, Ignazio; Logoteta, Domenico

    2018-02-01

    Aims: We report a new microscopic equation of state (EOS) of dense symmetric nuclear matter, pure neutron matter, and asymmetric and β-stable nuclear matter at zero temperature using recent realistic two-body and three-body nuclear interactions derived in the framework of chiral perturbation theory (ChPT) and including the Δ(1232) isobar intermediate state. This EOS is provided in tabular form and in parametrized form ready for use in numerical general relativity simulations of binary neutron star merging. Here we use our new EOS for β-stable nuclear matter to compute various structural properties of non-rotating neutron stars. Methods: The EOS is derived using the Brueckner-Bethe-Goldstone quantum many-body theory in the Brueckner-Hartree-Fock approximation. Neutron star properties are next computed solving numerically the Tolman-Oppenheimer-Volkov structure equations. Results: Our EOS models are able to reproduce the empirical saturation point of symmetric nuclear matter, the symmetry energy Esym, and its slope parameter L at the empirical saturation density n0. In addition, our EOS models are compatible with experimental data from collisions between heavy nuclei at energies ranging from a few tens of MeV up to several hundreds of MeV per nucleon. These experiments provide a selective test for constraining the nuclear EOS up to 4n0. Our EOS models are consistent with present measured neutron star masses and particularly with the mass M = 2.01 ± 0.04 M⊙ of the neutron stars in PSR J0348+0432.

  15. A New Method To Evaluate Excited States Lifetimes Based on Green's Function: Application to Dye-Sensitized Solar Cells.

    Science.gov (United States)

    Sulzer, David; Iuchi, Satoru; Yasuda, Koji

    2016-07-12

    Dye-sensitized solar cell (DSSCs) are the promising device for electricity generation. However, the initial stage in which an electron is injected from a dye to the semiconductor has not been precisely understood. Standard quantum chemistry methods cannot handle infinite number of orbitals coming from the band structure of the semiconductor, whereas solid state calculations cannot handle many excited states at a reasonable computational cost. In this regard, we propose a new method to evaluate lifetimes of many excited states of a molecule on a semi-infinite surface. On the basis of the theory of resonance state, the effect of the semi-infinite semiconductor is encoded into the complex self-energy from surface Green's function. The lifetimes of excited states are evaluated through the imaginary part of the self-energy, and the self-energy correction is included into excitation energies obtained from time-dependent density functional theory calculations. This new method is applied to a DSSC system composed of black dye attached to the TiO2 semiconductor, and the computed lifetimes are linked to the natures of excited states and to the surface properties. The present method provides the firm ground for analysis of interplay between many excited states of the dye and band structure of the semiconductor.

  16. Ultrafast excited state dynamics of tris-(2,2'-bipyridine) Ruthenium (II)

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, Alvin T.W. [Univ. of California, Berkeley, CA (United States)

    2000-03-01

    Time resolved anisotropy measurements and time dependent transient absorption measurements are used to study the evolution of the photoexcited Franck-Condon state to the formation of the long-lived triplet metal-to-ligand charge-transfer (3MLCT) state in tris-(2,2’-bipyridine) ruthenium. [Ru(bpy)3]2+ represents a large class of inorganic compounds with interesting and potentially applicable photophysical properties. These compounds have generated much interest in the inorganic chemistry community because their photophysical properties are easily manipulated by synthetic chemistry methods. However, little remains known about the processes which govern the evolution horn initial photoexcitation to the formation of the long-lived excited state.

  17. Reactions of excited triplet states of metal substituted myoglobin with dioxygen and quinone.

    Science.gov (United States)

    Papp, S; Vanderkooi, J M; Owen, C S; Holtom, G R; Phillips, C M

    1990-01-01

    The triplet state absorption and phosphorescence of Zn and Pd derivatives of myoglobin were compared. Both metal derivatives exhibit long triplet state lifetimes at room temperature, but whereas the Pd derivative showed exponential decay and an isosbestic point in the transient absorption spectra, the decay of the Zn derivative was nonsingle exponential and the transient absorption spectra showed evidence of more than one excited state species. No difference was seen in triplet quenching by oxygen for either derivative, indicating that differences in the polypeptide chain between the two derivatives are not large enough to affect oxygen penetrability. Quenching was also observed by anthraquinone sulfonate. In this case, the possibility of long-range transfer by an exchange mechanism is considered. PMID:2383630

  18. Dielectronic recombination rate coefficients to excited states of Be-like oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Izumi; Safronova, Ulyana I.; Kato, Takako

    2001-05-01

    We have calculated energy levels, radiative transition probabilities, and autoionization rates for Be-like oxygen (O{sup 4+}) including ls{sup 2}2lnl' (n=2 - 8, l {<=} n - 1) and 1s{sup 2}3l'nl (n=3 - 6, l {<=} n - l) states by multi-configurational Hartree-Fock method (Cowan code) and perturbation theory Z-expansion method (MZ code). The state selective dielectronic recombination rate coefficients to excited states of Be-like O ions are obtained. Configuration mixing plays an important role for the principal quantum number n distribution of the dielectronic recombination rate coefficients for 2snl (n {<=} 5) levels at low electron temperature. The orbital angular momentum quantum number l distribution of the rate coefficients shows a peak at l = 4. The total dielectronic recombination rate coefficient is derived as a function of electron temperature. (author)

  19. Radiative Decay Widths of Ground and Excited States of Vector Charmonium and Bottomonium

    Directory of Open Access Journals (Sweden)

    Hluf Negash

    2017-01-01

    Full Text Available We study the radiative decay widths of vector quarkonia for the process of J/ψ(nS→ηc(nSγ and Υ(nS→ηb(nSγ (for principal quantum numbers n=1,2,3 in the framework of Bethe-Salpeter equation under the covariant instantaneous ansatz using a 4×4 form of BSE. The parameters of the framework were determined by a fit to the mass spectrum of ground states of pseudoscalar and vector quarkonia, such as ηc, ηb, J/ψ, and Υ. These input parameters so fixed were found to give good agreements with data on mass spectra of ground and excited states of pseudoscalar and vector quarkonia, leptonic decay constants of pseudoscalar and vector quarkonia, two-photon decays, and two-gluon decays of pseudoscalar quarkonia in our recent paper. With these input parameters so fixed, the radiative decay widths of ground (1S and excited (2S,3S states of heavy vector quarkonia (J/Ψ and Υ are calculated and found to be in reasonable agreement with data.

  20. Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization.

    Science.gov (United States)

    Gaff, J F; Franzen, S; Delley, B

    2010-11-04

    A method for the calculation of resonance Raman cross sections is presented on the basis of calculation of structural differences between optimized ground and excited state geometries using density functional theory. A vibrational frequency calculation of the molecule is employed to obtain normal coordinate displacements for the modes of vibration. The excited state displacement relative to the ground state can be calculated in the normal coordinate basis by means of a linear transformation from a Cartesian basis to a normal coordinate one. The displacements in normal coordinates are then scaled by root-mean-square displacement of zero point motion to calculate dimensionless displacements for use in the two-time-correlator formalism for the calculation of resonance Raman spectra at an arbitrary temperature. The method is valid for Franck-Condon active modes within the harmonic approximation. The method was validated by calculation of resonance Raman cross sections and absorption spectra for chlorine dioxide, nitrate ion, trans-stilbene, 1,3,5-cycloheptatriene, and the aromatic amino acids. This method permits significant gains in the efficiency of calculating resonance Raman cross sections from first principles and, consequently, permits extension to large systems (>50 atoms).

  1. Periodic calculations of excited state properties for solids using a semiempirical approach.

    Science.gov (United States)

    Gadaczek, Immanuel; Hintze, Kim Julia; Bredow, Thomas

    2012-01-14

    The semiempirical SCF MO method MSINDO (modified symmetrically orthogonalized intermediate neglect of differential overlap) [T. Bredow and K. Jug, Electronic Encyclopedia of Computational Chemistry, 2004] is extended to the calculation of excited state properties through implementation of the configuration interaction singles (CIS) approach. MSINDO allows the calculation of periodic systems via the cyclic cluster model (CCM) [T. Bredow et al., J. Comput. Chem., 2001, 22, 89] which is a direct-space approach and therefore can be in principle combined with all molecular quantum-chemical techniques. The CIS equations are solved for a cluster with periodic boundary conditions using the Davidson-Liu iterative block diagonalization approach. As a proof-of-principle, MSINDO-CCM-CIS is applied for the calculation of optical spectra of ZnO and TiO(2), oxygen-defective rutile, and F-centers in NaCl. The calculated spectra are compared to available experimental and theoretical literature data. After re-adjustment of the empirical parameters the quantitative agreement with experiment is satisfactory. The present approximate approach is one of the first examples of a quantum-chemical methodology for solids where excited states are correctly described as n-electron state functions. After careful benchmark testing it will allow calculation of photophysical and photochemical processes relevant to materials science and catalysis.

  2. Equation-of-motion coupled cluster method for the description of the high spin excited states

    Energy Technology Data Exchange (ETDEWEB)

    Musiał, Monika, E-mail: musial@ich.us.edu.pl; Lupa, Łukasz; Kucharski, Stanisław A. [Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice (Poland)

    2016-04-21

    The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy (EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R{sub 1} and R{sub 2} singlet equations in the case of quintets, only R{sub 2} operator survives with 5 diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C{sub 2} molecule and quintet states of C and Si atoms.

  3. Ground- and excited-state structural orientation of 2-(2`-hydroxyphenyl)benzazoles in cyclodextrins

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, E.L.; Dey, J.; Warner, I.M. [Louisiana State Univ., Baton Rouge, LA (United States)

    1996-12-12

    The effects of {alpha}-, {beta}-, {gamma}-, and 2,6-di-O-methyl-{beta}-cyclodextrins (CDs) on the ground- and excited-state properties of 2-(2`-hydroxyphenyl)benzoxazole, 2-(2`-hydroxyphenyl)benzothiazole, and 2-(2`-hydroxyphenyl)benzimidazole in aqueous media are investigated. Steady-state fluorescence measurements are used to characterize the interaction of CDs with these azoles. Absorbance measurements indicate increased solubility of the azoles in aqueous solutions of CDs. Measurements of acidity constants (pK{sub a}) and data from induced circular dichroism indicate increased ground- and excited-state acidities of the phenolic protons of the molecules in the presence of CDs and axial orientation of the molecules within the CD cavity, respectively. The data further suggest a planar structure for HBO and a twisted confirmation for both HBT and HBI. The association constants of the inclusion complexes have also been estimated. These studies are further supplemented by comparative spectroscopic studies of 2-(2`-methoxyphenyl)benzothiazole in aqueous solutions of CDs. On the basis of the spectral data acquired, it is believed that the HBA molecules exist as zwitterionic tautomers in the presence of CDs. 35 refs., 6 figs., 2 tabs.

  4. Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent

    Science.gov (United States)

    Bjorgaard, J. A.; Nelson, T.; Kalinin, K.; Kuzmenko, V.; Velizhanin, K. A.; Tretiak, S.

    2015-07-01

    An efficient method of treating solvent effects in excited state molecular dynamics (ESMD) is implemented and tested by exploring the solvatochromic effects in substituted p-phenylene vinylene oligomers. A continuum solvent model is used which has very little computational overhead. This allows simulations of ESMD with solvent effects on the scale of hundreds of picoseconds for systems of up to hundreds of atoms. At these time scales, solvatochromic shifts in fluoresence spectra can be described. Solvatochromic shifts in absorption and fluorescence spectra from ESMD are compared with time-dependent density functional theory calculations and experiments.

  5. Peroxidase-promoted aerobic oxidation of 2-nitropropane: mechanism of excited state formation.

    Science.gov (United States)

    Indig, G L; Cilento, G

    1987-03-19

    Using sensitized emission, the horseradish peroxidase-catalyzed aerobic oxidation of the toxic pollutant 2-nitropropane to nitrite and acetone is shown to produce the latter in the electronically excited triplet state. In turn, this chemiexcitation implies a hydroperoxide precursor. Taking into account the stoichiometry of the reaction and available isotopic data it is inferred that the hydroperoxide reacts with a second molecule of the substrate (aci form). While triplet acetone formed from isobutanal (enol form) is generated within the enzyme, in the present case triplet acetone is formed in the bulk solution.

  6. Electron impact excitation and assignment of the low-lying electronic states of CO2

    Science.gov (United States)

    Hall, R. I.; Trajmar, S.

    1973-01-01

    Electron scattering spectra of CO2 are reported in the 7 to 10 eV energy-loss range, at energies of 0.2, 0.35, 0.6, 0.7, and 7.0 eV above threshold, and at a scattering angle of 90 deg. Several new distinct overlapping continua with weak, diffuse bands superimposed are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of recent ab initio configuration-interaction calculations of the vertical transition energies of CO2. The experimental spectra are shown to be consistent with the excitation states of CO2.

  7. First identification of excited states in sup 5 sup 9 Zn

    CERN Document Server

    Andreoiu, C; Fahlander, C; Mineva, M N; Rudolph, D; Axiotis, M; Angelis, G D; Farnea, E; Gadea, A; Kröll, T; Martínez, T; Lenzi, S M; Rossi-Alvarez, C; Marginean, N; Ur, C A

    2002-01-01

    Excited states in sup 5 sup 9 Zn were observed for the first time following the fusion-evaporation reaction sup 2 sup 4 Mg+ sup 4 sup 0 Ca at a beam energy of 60 MeV. The GASP array in conjunction with the ISIS Silicon ball and the NeutronRing allowed for the detection of gamma-rays in coincidence with evaporated light particles. The mirror symmetry of sup 5 sup 9 Zn and sup 5 sup 9 Cu is discussed. (orig.)

  8. The H$_2^+$ ion in a strong magnetic field. Lowest excited states

    OpenAIRE

    Turbiner, A. V.; Vieyra, J. C. Lopez

    2003-01-01

    As a continuation of our previous work ({\\it Phys. Rev. A68, 012504 (2003)}) an accurate study of the lowest $1\\si_g$ and the low-lying excited $1\\si_u$, $2\\si_g$, $1\\pi_{u,g}$, $1\\de_{g,u}$ electronic states of the molecular ion $H_2^+$ is made. Since the parallel configuration where the molecular axis coincides with the magnetic field direction is optimal, this is the only configuration which is considered. The variational method is applied and the {\\it same} trial function is used for diff...

  9. Quantum mechanical modeling of excited electronic states and their relationship to cathodoluminescence of BaZrO3

    OpenAIRE

    Moreira, Mario L.; Andrés Bort, Juan; Gracia Edo, Lourdes; Beltrán Flors, Armando; Montoro, Luciano A.; Varela, José A.; Longo, E.

    2013-01-01

    First-principles calculations set the comprehension over performance of novel cathodoluminescence (CL) properties of BaZrO3 prepared through microwave-assisted hydrothermal. Ground (singlet, s*) and excited (singlet s** and triplet t** ) electronic states were built from zirconium displacement of 0.2 Å in {001} direction. Each ground and excited states were characterized by the correlation of their corresponding geometry with electronic structures and Raman vibrational frequencies which were ...

  10. Excited-State Dynamics of the Thiopurine Prodrug 6-Thioguanine: Can N9-Glycosylation Affect Its Phototoxic Activity?

    OpenAIRE

    Brennan Ashwood; Steffen Jockusch; Carlos E. Crespo-Hernández

    2017-01-01

    6-Thioguanine, an immunosuppressant and anticancer prodrug, has been shown to induce DNA damage and cell death following exposure to UVA radiation. Its metabolite, 6-thioguanosine, plays a major role in the prodrug’s overall photoreactivity. However, 6-thioguanine itself has proven to be cytotoxic following UVA irradiation, warranting further investigation into its excited-state dynamics. In this contribution, the excited-state dynamics and photochemical properties of 6-thioguanine are studie...

  11. Nuclear spin/parity dependent spectroscopy and predissociation dynamics in vOH = 2 ← 0 overtone excited Ne-H2O clusters: Theory and experiment

    Science.gov (United States)

    Ziemkiewicz, Michael P.; Pluetzer, Christian; Loreau, Jérôme; van der Avoird, Ad; Nesbitt, David J.

    2017-12-01

    Vibrationally state selective overtone spectroscopy and state- and nuclear spin-dependent predissociation dynamics of weakly bound ortho- and para-Ne-H2O complexes (D0(ortho) = 34.66 cm-1 and D0(para) = 31.67 cm-1) are reported, based on near-infrared excitation of van der Waals cluster bands correlating with vOH = 2 ← 0 overtone transitions (|02-〉 and |02+〉) out of the ortho (101) and para (000) internal rotor states of the H2O moiety. Quantum theoretical calculations for nuclear motion on a high level potential energy surface [CCSD(T)/VnZf12 (n = 3, 4)], corrected for basis set superposition error and extrapolated to the complete basis set (CBS) limit, are employed to successfully predict and assign Π-Σ, Σ-Σ, and Σ-Π infrared bands in the spectra, where Σ or Π represent approximate projections of the body-fixed H2O angular momentum along the Ne-H2O internuclear axis. IR-UV pump-probe experimental capabilities permit real-time measurements of the vibrational predissociation dynamics, which indicate facile intramolecular vibrational energy transfer from the H2O vOH = 2 overtone vibrations into the VdWs (van der Waals) dissociation coordinate on the τprediss = 15-25 ns time scale. Whereas all predicted strong transitions in the ortho-Ne-H2O complexes are readily detected and assigned, vibrationally mediated photolysis spectra for the corresponding para-Ne-H2O bands are surprisingly absent despite ab initio predictions of Q-branch intensities with S/N > 20-40. Such behavior signals the presence of highly selective nuclear spin ortho-para predissociation dynamics in the upper state, for which we offer a simple mechanism based on Ne-atom mediated intramolecular vibrational relaxation in the H2O subunit (i.e., |02±〉 → {|01±〉; v2 = 2}), which is confirmed by the ab initio energy level predictions and the nascent OH rotational (N), spin orbit (Π1/2,3/2), and lambda doublet product distributions.

  12. Nuclear quantum state engineering in ion channeling regime

    Directory of Open Access Journals (Sweden)

    Berec Vesna

    2015-01-01

    Full Text Available A key challenge in quantum state engineering is to identify coherent quantum mechanical systems that can be precisely manipulated and scaled, but at the same time to allow decoupling from unwanted interactions. Such systems, once realized, would represent an efficient tool for characterization of quantum behavior reflected in the properties of matter with prerequisites for meeting dissipation constraints imposed in the nuclear physics as well in the quantum information theory. Using the pure29Si nanocrystal system we present a novel high resolution method for initialization of single electron polarized spin interaction and control of nuclear spin qubits. The presented study fuses field of particle channeling in MeV energy regime with quantum state engineering utilized via entanglement as an essential quantum property. Its aim is to bring focus on new theoretical proposals testing the quantum mechanical models for systems producible at particle accelerator facilities.

  13. Observation of an Excited B± Meson State with the ATLAS Detector

    DEFF Research Database (Denmark)

    Aad, G.; Abbott, B.; Abdallah, J.

    2014-01-01

    A search for excited states of the B±c meson is performed using 4.9  fb−1 of 7 TeV and 19.2  fb−1 of 8 TeV pp collision data collected by the ATLAS experiment at the LHC. A new state is observed through its hadronic transition to the ground state, with the latter detected in the decay B......±c→J/ψπ±. The state appears in the m(B±cπ+π−)−m(B±c)−2m(π±) mass difference distribution with a significance of 5.2 standard deviations. The mass of the observed state is 6842±4±5  MeV, where the first error is statistical and the second is systematic. The mass and decay of this state are consistent with expectations...... for the second S-wave state of the B±c meson, B±c(2S)....

  14. Generation of excited coherent states for a charged particle in a uniform magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Mojaveri, B., E-mail: bmojaveri@azaruniv.ac.ir [Department of Physics, Azarbaijan Shahid Madani University, P.O. Box 51745-406, Tabriz (Iran, Islamic Republic of); Dehghani, A., E-mail: a-dehghani@tabrizu.ac.ir, E-mail: alireza.dehghani@gmail.com [Department of Physics, Payame Noor University, P.O. Box 19395-3697, Tehran (Iran, Islamic Republic of)

    2015-04-15

    We introduce excited coherent states, |β,α;nгЂ‰≔a{sup †n}|β,αгЂ‰, where n is an integer and states |β,αгЂ‰ denote the coherent states of a charged particle in a uniform magnetic field. States |β,αгЂ‰ minimize the Schrödinger-Robertson uncertainty relation while having the nonclassical properties. It has been shown that the resolution of identity condition is realized with respect to an appropriate measure on the complex plane. Some of the nonclassical features such as sub-Poissonian statistics and quadrature squeezing of these states are investigated. Our results are compared with similar Agarwal’s type photon added coherent states (PACSs) and it is shown that, while photon-counting statistics of |β,α,nгЂ‰ are the same as PACSs, their squeezing properties are different. It is also shown that for large values of |β|, while they are squeezed, they minimize the uncertainty condition. Additionally, it has been demonstrated that by changing the magnitude of the external magnetic field, B{sub ext}, the squeezing effect is transferred from one component to another. Finally, a new scheme is proposed to generate states |β,α;nгЂ‰ in cavities. .

  15. Observation of an excited Bc(±) meson state with the ATLAS detector.

    Science.gov (United States)

    Aad, G; Abbott, B; Abdallah, J; Abdel Khalek, S; Abdinov, O; Aben, R; Abi, B; Abolins, M; AbouZeid, O S; Abramowicz, H; Abreu, H; Abreu, R; Abulaiti, Y; Acharya, B S; Adamczyk, L; Adams, D L; Adelman, J; Adomeit, S; Adye, T; Agatonovic-Jovin, T; Aguilar-Saavedra, J A; Agustoni, M; Ahlen, S P; Ahmadov, F; Aielli, G; Akerstedt, H; Åkesson, T P A; Akimoto, G; Akimov, A V; Alberghi, G L; Albert, J; Albrand, S; Alconada Verzini, M J; Aleksa, M; Aleksandrov, I N; Alexa, C; Alexander, G; Alexandre, G; Alexopoulos, T; Alhroob, M; Alimonti, G; Alio, L; Alison, J; Allbrooke, B M M; Allison, L J; Allport, P P; Almond, J; Aloisio, A; Alonso, A; Alonso, F; Alpigiani, C; Altheimer, A; Alvarez Gonzalez, B; Alviggi, M G; Amako, K; Amaral Coutinho, Y; Amelung, C; Amidei, D; Amor Dos Santos, S P; Amorim, A; Amoroso, S; Amram, N; Amundsen, G; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anderson, K J; Andreazza, A; Andrei, V; Anduaga, X S; Angelidakis, S; Angelozzi, I; Anger, P; Angerami, A; Anghinolfi, F; Anisenkov, A V; Anjos, N; Annovi, A; Antonaki, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoki, M; Aperio Bella, L; Apolle, R; Arabidze, G; Aracena, I; Arai, Y; Araque, J P; Arce, A T H; Arguin, J-F; Argyropoulos, S; Arik, M; Armbruster, A J; Arnaez, O; Arnal, V; Arnold, H; Arratia, M; Arslan, O; Artamonov, A; Artoni, G; Asai, S; Asbah, N; Ashkenazi, A; Åsman, B; Asquith, L; Assamagan, K; Astalos, R; Atkinson, M; Atlay, N B; Auerbach, B; Augsten, K; Aurousseau, M; Avolio, G; Azuelos, G; Azuma, Y; Baak, M A; Baas, A; Bacci, C; Bachacou, H; Bachas, K; Backes, M; Backhaus, M; Backus Mayes, J; Badescu, E; Bagiacchi, P; Bagnaia, P; Bai, Y; Bain, T; Baines, J T; Baker, O K; Balek, P; Balli, F; Banas, E; Banerjee, Sw; Bannoura, A A E; Bansal, V; Bansil, H S; Barak, L; Baranov, S P; Barberio, E L; Barberis, D; Barbero, M; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnett, B M; Barnett, R M; Barnovska, Z; Baroncelli, A; Barone, G; Barr, A J; Barreiro, F; Barreiro Guimarães da Costa, J; Bartoldus, R; Barton, A E; Bartos, P; Bartsch, V; Bassalat, A; Basye, A; Bates, R L; Batkova, L; Batley, J R; Battaglia, M; Battistin, M; Bauer, F; Bawa, H S; Beau, T; Beauchemin, P H; Beccherle, R; Bechtle, P; Beck, H P; Becker, K; Becker, S; Beckingham, M; Becot, C; Beddall, A J; Beddall, A; Bedikian, S; Bednyakov, V A; Bee, C P; Beemster, L J; Beermann, T A; Begel, M; Behr, K; Belanger-Champagne, C; Bell, P J; Bell, W H; Bella, G; Bellagamba, L; Bellerive, A; Bellomo, M; Belotskiy, K; Beltramello, O; Benary, O; Benchekroun, D; Bendtz, K; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez Garcia, J A; Benjamin, D P; Bensinger, J R; Benslama, K; Bentvelsen, S; Berge, D; Bergeaas Kuutmann, E; Berger, N; Berghaus, F; Beringer, J; Bernard, C; Bernat, P; Bernius, C; Bernlochner, F U; Berry, T; Berta, P; Bertella, C; Bertoli, G; Bertolucci, F; Bertsche, D; Besana, M I; Besjes, G J; Bessidskaia, O; Bessner, M; Besson, N; Betancourt, C; Bethke, S; Bhimji, W; 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Chiodini, G; Chisholm, A S; Chislett, R T; Chitan, A; Chizhov, M V; Chouridou, S; Chow, B K B; Chromek-Burckhart, D; Chu, M L; Chudoba, J; Chwastowski, J J; Chytka, L; Ciapetti, G; Ciftci, A K; Ciftci, R; Cinca, D; Cindro, V; Ciocio, A; Cirkovic, P; Citron, Z H; Citterio, M; Ciubancan, M; Clark, A; Clark, P J; Clarke, R N; Cleland, W; Clemens, J C; Clement, C; Coadou, Y; Cobal, M; Coccaro, A; Cochran, J; Coffey, L; Cogan, J G; Coggeshall, J; Cole, B; Cole, S; Colijn, A P; Collot, J; Colombo, T; Colon, G; Compostella, G; Conde Muiño, P; Coniavitis, E; Conidi, M C; Connell, S H; Connelly, I A; Consonni, S M; Consorti, V; Constantinescu, S; Conta, C; Conti, G; Conventi, F; Cooke, M; Cooper, B D; Cooper-Sarkar, A M; Cooper-Smith, N J; Copic, K; Cornelissen, T; Corradi, M; Corriveau, F; Corso-Radu, A; Cortes-Gonzalez, A; Cortiana, G; Costa, G; Costa, M J; Costanzo, D; Côté, D; Cottin, G; Cowan, G; Cox, B E; Cranmer, K; Cree, G; Crépé-Renaudin, S; Crescioli, F; Cribbs, W A; Crispin Ortuzar, M; Cristinziani, M; Croft, V; Crosetti, G; Cuciuc, C-M; Cuhadar Donszelmann, T; Cummings, J; Curatolo, M; Cuthbert, C; Czirr, H; Czodrowski, P; Czyczula, Z; D'Auria, S; D'Onofrio, M; Da Cunha Sargedas De Sousa, M J; Da Via, C; Dabrowski, W; Dafinca, A; Dai, T; Dale, O; Dallaire, F; Dallapiccola, C; Dam, M; Daniells, A C; Dano Hoffmann, M; Dao, V; Darbo, G; Darmora, S; Dassoulas, J A; Dattagupta, A; Davey, W; David, C; Davidek, T; Davies, E; Davies, M; Davignon, O; Davison, A R; Davison, P; Davygora, Y; Dawe, E; Dawson, I; Daya-Ishmukhametova, R K; De, K; de Asmundis, R; De Castro, S; De Cecco, S; De Groot, N; de Jong, P; De la Torre, H; De Lorenzi, F; De Nooij, L; De Pedis, D; De Salvo, A; De Sanctis, U; De Santo, A; De Vivie De Regie, J B; Dearnaley, W J; Debbe, R; Debenedetti, C; Dechenaux, B; Dedovich, D V; Deigaard, I; Del Peso, J; Del Prete, T; Deliot, F; Delitzsch, C M; Deliyergiyev, M; Dell'Acqua, A; Dell'Asta, L; Dell'Orso, M; Della Pietra, M; della Volpe, D; Delmastro, M; Delsart, P A; 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    2014-11-21

    A search for excited states of the Bc(±) meson is performed using 4.9  fb(-1) of 7 TeV and 19.2  fb(-1) of 8 TeV pp collision data collected by the ATLAS experiment at the LHC. A new state is observed through its hadronic transition to the ground state, with the latter detected in the decay Bc(±)→J/ψπ(±). The state appears in the m(Bc(±)π(+)π(-))-m(Bc(±))-2m(π(±)) mass difference distribution with a significance of 5.2 standard deviations. The mass of the observed state is 6842±4±5  MeV, where the first error is statistical and the second is systematic. The mass and decay of this state are consistent with expectations for the second S-wave state of the Bc(±) meson, Bc(±)(2S).

  16. Observation of an Excited $B^{\\pm}_c$ Meson State with the ATLAS Detector

    CERN Document Server

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Bertoli, Gabriele; Bertolucci, Federico; Bertsche, David; Besana, Maria Ilaria; Besjes, Geert-Jan; Bessidskaia, Olga; Bessner, Martin Florian; Besson, Nathalie; Betancourt, Christopher; Bethke, Siegfried; Bhimji, Wahid; Bianchi, Riccardo-Maria; Bianchini, Louis; Bianco, Michele; Biebel, Otmar; Bieniek, Stephen Paul; Bierwagen, Katharina; Biesiada, Jed; Biglietti, Michela; Bilbao De Mendizabal, Javier; Bilokon, Halina; Bindi, Marcello; Binet, Sebastien; Bingul, Ahmet; Bini, Cesare; Black, Curtis; Black, James; Black, Kevin; Blackburn, Daniel; Blair, Robert; Blanchard, Jean-Baptiste; Blazek, Tomas; Bloch, Ingo; Blocker, Craig; Blum, Walter; Blumenschein, Ulrike; Bobbink, Gerjan; Bobrovnikov, Victor; Bocchetta, Simona Serena; Bocci, Andrea; Bock, Christopher; Boddy, Christopher Richard; Boehler, Michael; Boek, Thorsten Tobias; Bogaerts, Joannes Andreas; Bogdanchikov, Alexander; Bogouch, Andrei; Bohm, Christian; Bohm, Jan; Boisvert, Veronique; Bold, Tomasz; Boldea, Venera; Boldyrev, Alexey; Bomben, Marco; Bona, Marcella; Boonekamp, Maarten; Borisov, Anatoly; Borissov, Guennadi; Borri, Marcello; Borroni, Sara; Bortfeldt, Jonathan; Bortolotto, Valerio; Bos, Kors; Boscherini, Davide; Bosman, Martine; Boterenbrood, Hendrik; Boudreau, Joseph; Bouffard, Julian; Bouhova-Thacker, Evelina Vassileva; Boumediene, Djamel Eddine; Bourdarios, Claire; Bousson, Nicolas; Boutouil, Sara; Boveia, Antonio; Boyd, James; Boyko, Igor; Bracinik, Juraj; Brandt, Andrew; Brandt, Gerhard; Brandt, Oleg; Bratzler, Uwe; Brau, Benjamin; Brau, James; Braun, Helmut; Brazzale, Simone Federico; Brelier, Bertrand; Brendlinger, Kurt; Brennan, Amelia Jean; Brenner, Richard; Bressler, Shikma; Bristow, Kieran; Bristow, Timothy Michael; Britton, Dave; Brochu, Frederic; Brock, Ian; Brock, Raymond; Bromberg, Carl; Bronner, Johanna; Brooijmans, Gustaaf; Brooks, Timothy; Brooks, William; Brosamer, Jacquelyn; Brost, Elizabeth; Brown, Jonathan; Bruckman de Renstrom, Pawel; Bruncko, Dusan; Bruneliere, Renaud; Brunet, Sylvie; Bruni, Alessia; Bruni, Graziano; Bruschi, Marco; Bryngemark, Lene; Buanes, Trygve; Buat, Quentin; Bucci, Francesca; Buchholz, Peter; Buckingham, Ryan; Buckley, Andrew; Buda, Stelian Ioan; Budagov, Ioulian; Buehrer, Felix; Bugge, Lars; Bugge, Magnar Kopangen; Bulekov, Oleg; Bundock, Aaron Colin; Burckhart, Helfried; Burdin, Sergey; Burghgrave, Blake; Burke, Stephen; Burmeister, Ingo; Busato, Emmanuel; Büscher, Daniel; Büscher, Volker; Bussey, Peter; Buszello, Claus-Peter; Butler, Bart; Butler, John; Butt, Aatif Imtiaz; Buttar, Craig; Butterworth, Jonathan; Butti, Pierfrancesco; Buttinger, William; Buzatu, Adrian; Byszewski, Marcin; Cabrera Urbán, Susana; Caforio, Davide; Cakir, Orhan; Calafiura, Paolo; Calandri, Alessandro; Calderini, Giovanni; Calfayan, Philippe; Calkins, Robert; Caloba, Luiz; Calvet, David; Calvet, Samuel; Camacho Toro, Reina; Camarda, Stefano; Cameron, David; Caminada, Lea Michaela; Caminal Armadans, Roger; Campana, Simone; Campanelli, Mario; Campoverde, Angel; Canale, Vincenzo; Canepa, Anadi; Cano Bret, Marc; Cantero, Josu; Cantrill, Robert; Cao, Tingting; Capeans Garrido, Maria Del Mar; Caprini, Irinel; Caprini, Mihai; Capua, Marcella; Caputo, Regina; Cardarelli, Roberto; Carli, Tancredi; Carlino, Gianpaolo; Carminati, Leonardo; Caron, Sascha; Carquin, Edson; Carrillo-Montoya, German D; Carter, Janet; Carvalho, João; Casadei, Diego; Casado, Maria Pilar; Casolino, Mirkoantonio; Castaneda-Miranda, Elizabeth; Castelli, Angelantonio; Castillo Gimenez, Victoria; Castro, Nuno Filipe; Catastini, Pierluigi; Catinaccio, Andrea; Catmore, James; Cattai, Ariella; Cattani, Giordano; Caughron, Seth; Cavaliere, Viviana; Cavalli, Donatella; Cavalli-Sforza, Matteo; Cavasinni, Vincenzo; Ceradini, Filippo; Cerio, Benjamin; Cerny, Karel; Santiago Cerqueira, Augusto; Cerri, Alessandro; Cerrito, Lucio; Cerutti, Fabio; Cerv, Matevz; Cervelli, Alberto; Cetin, Serkant Ali; Chafaq, Aziz; Chakraborty, Dhiman; Chalupkova, Ina; Chang, Philip; Chapleau, Bertrand; Chapman, John Derek; Charfeddine, Driss; Charlton, Dave; Chau, Chav Chhiv; Chavez Barajas, Carlos Alberto; Cheatham, Susan; Chegwidden, Andrew; Chekanov, Sergei; Chekulaev, Sergey; Chelkov, Gueorgui; Chelstowska, Magda Anna; Chen, Chunhui; Chen, Hucheng; Chen, Karen; Chen, Liming; Chen, Shenjian; Chen, Xin; Chen, Yujiao; Cheng, Hok Chuen; Cheng, Yangyang; Cheplakov, Alexander; Cherkaoui El Moursli, Rajaa; Chernyatin, Valeriy; Cheu, Elliott; Chevalier, Laurent; Chiarella, Vitaliano; Chiefari, Giovanni; Childers, John Taylor; Chilingarov, Alexandre; Chiodini, Gabriele; Chisholm, Andrew; Chislett, Rebecca Thalatta; Chitan, Adrian; Chizhov, Mihail; Chouridou, Sofia; Chow, Bonnie Kar Bo; Chromek-Burckhart, Doris; Chu, Ming-Lee; Chudoba, Jiri; Chwastowski, Janusz; Chytka, Ladislav; Ciapetti, Guido; Ciftci, Abbas Kenan; Ciftci, Rena; Cinca, Diane; Cindro, Vladimir; Ciocio, Alessandra; Cirkovic, Predrag; Citron, Zvi Hirsh; Citterio, Mauro; Ciubancan, Mihai; Clark, Allan G; Clark, Philip James; Clarke, Robert; Cleland, Bill; Clemens, Jean-Claude; Clement, Christophe; Coadou, Yann; Cobal, Marina; Coccaro, Andrea; Cochran, James H; Coffey, Laurel; Cogan, Joshua Godfrey; Coggeshall, James; Cole, Brian; Cole, Stephen; Colijn, Auke-Pieter; Collot, Johann; Colombo, Tommaso; Colon, German; Compostella, Gabriele; Conde Muiño, Patricia; Coniavitis, Elias; Conidi, Maria Chiara; Connell, Simon Henry; Connelly, Ian; Consonni, Sofia Maria; Consorti, Valerio; Constantinescu, Serban; Conta, Claudio; Conti, Geraldine; Conventi, Francesco; Cooke, Mark; Cooper, Ben; Cooper-Sarkar, Amanda; Cooper-Smith, Neil; Copic, Katherine; Cornelissen, Thijs; Corradi, Massimo; Corriveau, Francois; Corso-Radu, Alina; Cortes-Gonzalez, Arely; Cortiana, Giorgio; Costa, Giuseppe; Costa, María José; Costanzo, Davide; Côté, David; Cottin, Giovanna; Cowan, Glen; Cox, Brian; Cranmer, Kyle; Cree, Graham; Crépé-Renaudin, Sabine; Crescioli, Francesco; Cribbs, Wayne Allen; Crispin Ortuzar, Mireia; Cristinziani, Markus; Croft, Vince; Crosetti, Giovanni; Cuciuc, Constantin-Mihai; Cuhadar Donszelmann, Tulay; Cummings, Jane; Curatolo, Maria; Cuthbert, Cameron; Czirr, Hendrik; Czodrowski, Patrick; Czyczula, Zofia; D'Auria, Saverio; D'Onofrio, Monica; Da Cunha Sargedas De Sousa, Mario Jose; Da Via, Cinzia; Dabrowski, Wladyslaw; Dafinca, Alexandru; Dai, Tiesheng; Dale, Orjan; Dallaire, Frederick; Dallapiccola, Carlo; Dam, Mogens; Daniells, Andrew Christopher; Dano Hoffmann, Maria; Dao, Valerio; Darbo, Giovanni; Darmora, Smita; Dassoulas, James; Dattagupta, Aparajita; Davey, Will; David, Claire; Davidek, Tomas; Davies, Eleanor; Davies, Merlin; Davignon, Olivier; Davison, Adam; Davison, Peter; Davygora, Yuriy; Dawe, Edmund; Dawson, Ian; Daya-Ishmukhametova, Rozmin; De, Kaushik; de Asmundis, Riccardo; De Castro, Stefano; De Cecco, Sandro; De Groot, Nicolo; de Jong, Paul; De la Torre, Hector; De Lorenzi, Francesco; De Nooij, Lucie; De Pedis, Daniele; De Salvo, Alessandro; De Sanctis, Umberto; De Santo, Antonella; De Vivie De Regie, Jean-Baptiste; Dearnaley, William James; Debbe, Ramiro; Debenedetti, Chiara; Dechenaux, Benjamin; Dedovich, Dmitri; Deigaard, Ingrid; Del Peso, Jose; Del Prete, Tarcisio; Deliot, Frederic; Delitzsch, Chris Malena; Deliyergiyev, Maksym; Dell'Acqua, Andrea; Dell'Asta, Lidia; Dell'Orso, Mauro; Della Pietra, Massimo; della Volpe, Domenico; Delmastro, Marco; Delsart, Pierre-Antoine; Deluca, Carolina; Demers, Sarah; Demichev, Mikhail; Demilly, Aurelien; Denisov, Sergey; Derendarz, Dominik; Derkaoui, Jamal Eddine; Derue, Frederic; Dervan, Paul; Desch, Klaus Kurt; Deterre, Cecile; Deviveiros, Pier-Olivier; Dewhurst, Alastair; Dhaliwal, Saminder; Di Ciaccio, Anna; Di Ciaccio, Lucia; Di Domenico, Antonio; Di Donato, Camilla; Di Girolamo, Alessandro; Di Girolamo, Beniamino; Di Mattia, Alessandro; Di Micco, Biagio; Di Nardo, Roberto; Di Simone, Andrea; Di Sipio, Riccardo; Di Valentino, David; Dias, Flavia; Diaz, Marco Aurelio; Diehl, Edward; Dietrich, Janet; Dietzsch, Thorsten; Diglio, Sara; Dimitrievska, Aleksandra; Dingfelder, Jochen; Dionisi, Carlo; Dita, Petre; Dita, Sanda; Dittus, Fridolin; Djama, Fares; Djobava, Tamar; Barros do Vale, Maria Aline; Do Valle Wemans, André; Doan, Thi Kieu Oanh; Dobos, Daniel; Doglioni, Caterina; Doherty, Tom; Dohmae, Takeshi; Dolejsi, Jiri; Dolezal, Zdenek; Dolgoshein, Boris; Donadelli, Marisilvia; Donati, Simone; Dondero, Paolo; Donini, Julien; Dopke, Jens; Doria, Alessandra; Dova, Maria-Teresa; Doyle, Tony; Dris, Manolis; Dubbert, Jörg; Dube, Sourabh; Dubreuil, Emmanuelle; Duchovni, Ehud; Duckeck, Guenter; Ducu, Otilia Anamaria; Duda, Dominik; Dudarev, Alexey; Dudziak, Fanny; Duflot, Laurent; Duguid, Liam; Dührssen, Michael; Dunford, Monica; Duran Yildiz, Hatice; Düren, Michael; Durglishvili, Archil; Dwuznik, Michal; Dyndal, Mateusz; Ebke, Johannes; Edson, William; Edwards, Nicholas Charles; Ehrenfeld, Wolfgang; Eifert, Till; Eigen, Gerald; Einsweiler, Kevin; Ekelof, Tord; El Kacimi, Mohamed; Ellert, Mattias; Elles, Sabine; Ellinghaus, Frank; Ellis, Nicolas; Elmsheuser, Johannes; Elsing, Markus; Emeliyanov, Dmitry; Enari, Yuji; Endner, Oliver Chris; Endo, Masaki; Engelmann, Roderich; Erdmann, Johannes; Ereditato, Antonio; Eriksson, Daniel; Ernis, Gunar; Ernst, Jesse; Ernst, Michael; Ernwein, Jean; Errede, Deborah; Errede, Steven; Ertel, Eugen; Escalier, Marc; Esch, Hendrik; Escobar, Carlos; Esposito, Bellisario; Etienvre, Anne-Isabelle; Etzion, Erez; Evans, Hal; Ezhilov, Alexey; Fabbri, Laura; Facini, Gabriel; Fakhrutdinov, Rinat; Falciano, Speranza; Falla, Rebecca Jane; Faltova, Jana; Fang, Yaquan; Fanti, Marcello; Farbin, Amir; Farilla, Addolorata; Farooque, Trisha; Farrell, Steven; Farrington, Sinead; Farthouat, Philippe; Fassi, Farida; Fassnacht, Patrick; Fassouliotis, Dimitrios; Favareto, Andrea; Fayard, Louis; Federic, Pavol; Fedin, Oleg; Fedorko, Wojciech; Fehling-Kaschek, Mirjam; Feigl, Simon; Feligioni, Lorenzo; Feng, Cunfeng; Feng, Eric; Feng, Haolu; Fenyuk, Alexander; Fernandez Perez, Sonia; Ferrag, Samir; Ferrando, James; Ferrari, Arnaud; Ferrari, Pamela; Ferrari, Roberto; Ferreira de Lima, Danilo Enoque; Ferrer, Antonio; Ferrere, Didier; Ferretti, Claudio; Ferretto Parodi, Andrea; Fiascaris, Maria; Fiedler, Frank; Filipčič, Andrej; Filipuzzi, Marco; Filthaut, Frank; Fincke-Keeler, Margret; Finelli, Kevin Daniel; Fiolhais, Miguel; Fiorini, Luca; Firan, Ana; Fischer, Adam; Fischer, Julia; Fisher, Wade Cameron; Fitzgerald, Eric Andrew; Flechl, Martin; Fleck, Ivor; Fleischmann, Philipp; Fleischmann, Sebastian; Fletcher, Gareth Thomas; Fletcher, Gregory; Flick, Tobias; Floderus, Anders; Flores Castillo, Luis; Florez Bustos, Andres Carlos; Flowerdew, Michael; Formica, Andrea; Forti, Alessandra; Fortin, Dominique; Fournier, Daniel; Fox, Harald; Fracchia, Silvia; Francavilla, Paolo; Franchini, Matteo; Franchino, Silvia; Francis, David; Franklin, Melissa; Franz, Sebastien; Fraternali, Marco; French, Sky; Friedrich, Conrad; Friedrich, Felix; Froidevaux, Daniel; Frost, James; Fukunaga, Chikara; Fullana Torregrosa, Esteban; Fulsom, Bryan Gregory; Fuster, Juan; Gabaldon, Carolina; Gabizon, Ofir; Gabrielli, Alessandro; Gabrielli, Andrea; Gadatsch, Stefan; Gadomski, Szymon; Gagliardi, Guido; Gagnon, Pauline; Galea, Cristina; Galhardo, Bruno; Gallas, Elizabeth; Gallo, Valentina Santina; Gallop, Bruce; Gallus, Petr; Galster, Gorm Aske Gram Krohn; Gan, KK; Gandrajula, Reddy Pratap; Gao, Jun; Gao, Yongsheng; Garay Walls, Francisca; Garberson, Ford; García, Carmen; García Navarro, José Enrique; Garcia-Sciveres, Maurice; Gardner, Robert; Garelli, Nicoletta; Garonne, Vincent; Gatti, Claudio; Gaudio, Gabriella; Gaur, Bakul; Gauthier, Lea; Gauzzi, Paolo; Gavrilenko, Igor; Gay, Colin; Gaycken, Goetz; Gazis, Evangelos; Ge, Peng; Gecse, Zoltan; Gee, Norman; Geerts, Daniël Alphonsus Adrianus; Geich-Gimbel, Christoph; Gellerstedt, Karl; Gemme, Claudia; Gemmell, Alistair; Genest, Marie-Hélène; Gentile, Simonetta; George, Matthias; George, Simon; Gerbaudo, Davide; Gershon, Avi; Ghazlane, Hamid; Ghodbane, Nabil; Giacobbe, Benedetto; Giagu, Stefano; Giangiobbe, Vincent; Giannetti, Paola; Gianotti, Fabiola; Gibbard, Bruce; Gibson, Stephen; Gilchriese, Murdock; Gillam, Thomas; Gillberg, Dag; Gilles, Geoffrey; Gingrich, Douglas; Giokaris, Nikos; Giordani, MarioPaolo; Giordano, Raffaele; Giorgi, Filippo Maria; Giorgi, Francesco Michelangelo; Giraud, Pierre-Francois; Giugni, Danilo; Giuliani, Claudia; Giulini, Maddalena; Gjelsten, Børge Kile; Gkaitatzis, Stamatios; Gkialas, Ioannis; Gladilin, Leonid; Glasman, Claudia; Glatzer, Julian; Glaysher, Paul; Glazov, Alexandre; Glonti, George; Goblirsch-Kolb, Maximilian; Goddard, Jack Robert; Godfrey, Jennifer; Godlewski, Jan; Goeringer, Christian; Goldfarb, Steven; Golling, Tobias; Golubkov, Dmitry; Gomes, Agostinho; Gomez Fajardo, Luz Stella; Gonçalo, Ricardo; Goncalves Pinto Firmino Da Costa, Joao; Gonella, Laura; González de la Hoz, Santiago; Gonzalez Parra, Garoe; Gonzalez-Sevilla, Sergio; Goossens, Luc; Gorbounov, Petr Andreevich; Gordon, Howard; Gorelov, Igor; Gorini, Benedetto; Gorini, Edoardo; Gorišek, Andrej; Gornicki, Edward; Goshaw, Alfred; Gössling, Claus; Gostkin, Mikhail Ivanovitch; Gouighri, Mohamed; Goujdami, Driss; Goulette, Marc Phillippe; Goussiou, Anna; Goy, Corinne; Gozpinar, Serdar; Grabas, Herve Marie Xavier; Graber, Lars; Grabowska-Bold, Iwona; Grafström, Per; Grahn, Karl-Johan; Gramling, Johanna; Gramstad, Eirik; Grancagnolo, Sergio; Grassi, Valerio; Gratchev, Vadim; Gray, Heather; Graziani, Enrico; Grebenyuk, Oleg; Greenwood, Zeno Dixon; Gregersen, Kristian; Gregor, Ingrid-Maria; Grenier, Philippe; Griffiths, Justin; Grillo, Alexander; Grimm, Kathryn; Grinstein, Sebastian; Gris, Philippe Luc Yves; Grishkevich, Yaroslav; Grivaz, Jean-Francois; Grohs, Johannes Philipp; Grohsjean, Alexander; Gross, Eilam; Grosse-Knetter, Joern; Grossi, Giulio Cornelio; Groth-Jensen, Jacob; Grout, Zara Jane; Guan, Liang; Guescini, Francesco; Guest, Daniel; Gueta, Orel; Guicheney, Christophe; Guido, Elisa; Guillemin, Thibault; Guindon, Stefan; Gul, Umar; Gumpert, Christian; Gunther, Jaroslav; Guo, Jun; Gupta, Shaun; Gutierrez, Phillip; Gutierrez Ortiz, Nicolas Gilberto; Gutschow, Christian; Guttman, Nir; Guyot, Claude; Gwenlan, Claire; Gwilliam, Carl; Haas, Andy; Haber, Carl; Hadavand, Haleh Khani; Haddad, Nacim; Haefner, Petra; Hageböck, Stephan; Hajduk, Zbigniew; Hakobyan, Hrachya; Haleem, Mahsana; Hall, David; Halladjian, Garabed; Hamacher, Klaus; Hamal, Petr; Hamano, Kenji; Hamer, Matthias; Hamilton, Andrew; Hamilton, Samuel; Hamnett, Phillip George; Han, Liang; Hanagaki, Kazunori; Hanawa, Keita; Hance, Michael; Hanke, Paul; Hanna, Remie; Hansen, Jørgen Beck; Hansen, Jorn Dines; Hansen, Peter Henrik; Hara, Kazuhiko; Hard, Andrew; Harenberg, Torsten; Hariri, Faten; Harkusha, Siarhei; Harper, Devin; Harrington, Robert; Harris, Orin; Harrison, Paul Fraser; Hartjes, Fred; Hasegawa, Satoshi; Hasegawa, Yoji; Hasib, A; Hassani, Samira; Haug, Sigve; Hauschild, Michael; Hauser, Reiner; Havranek, Miroslav; Hawkes, Christopher; Hawkings, Richard John; Hawkins, Anthony David; Hayashi, Takayasu; Hayden, Daniel; Hays, Chris; Hayward, Helen; Haywood, Stephen; Head, Simon; Heck, Tobias; Hedberg, Vincent; Heelan, Louise; Heim, Sarah; Heim, Timon; Heinemann, Beate; Heinrich, Lukas; Hejbal, Jiri; Helary, Louis; Heller, Claudio; Heller, Matthieu; Hellman, Sten; Hellmich, Dennis; Helsens, Clement; Henderson, James; Henderson, Robert; Heng, Yang; Hengler, Christopher; Henrichs, Anna; Henriques Correia, Ana Maria; Henrot-Versille, Sophie; Hensel, Carsten; Herbert, Geoffrey Henry; Hernández Jiménez, Yesenia; Herrberg-Schubert, Ruth; Herten, Gregor; Hertenberger, Ralf; Hervas, Luis; Hesketh, Gavin Grant; Hessey, Nigel; Hickling, Robert; Higón-Rodriguez, Emilio; Hill, Ewan; Hill, John; Hiller, Karl Heinz; Hillert, Sonja; Hillier, Stephen; Hinchliffe, Ian; Hines, Elizabeth; Hirose, Minoru; Hirschbuehl, Dominic; Hobbs, John; Hod, Noam; Hodgkinson, Mark; Hodgson, Paul; Hoecker, Andreas; Hoeferkamp, Martin; Hoffman, Julia; Hoffmann, Dirk; Hofmann, Julia Isabell; Hohlfeld, Marc; Holmes, Tova Ray; Hong, Tae Min; Hooft van Huysduynen, Loek; Hostachy, Jean-Yves; Hou, Suen; Hoummada, Abdeslam; Howard, Jacob; Howarth, James; Hrabovsky, Miroslav; Hristova, Ivana; Hrivnac, Julius; Hryn'ova, Tetiana; Hsu, Catherine; Hsu, Pai-hsien Jennifer; Hsu, Shih-Chieh; Hu, Diedi; Hu, Xueye; Huang, Yanping; Hubacek, Zdenek; Hubaut, Fabrice; Huegging, Fabian; Huffman, Todd Brian; Hughes, Emlyn; Hughes, Gareth; Huhtinen, Mika; Hülsing, Tobias Alexander; Hurwitz, Martina; Huseynov, Nazim; Huston, Joey; Huth, John; Iacobucci, Giuseppe; Iakovidis, Georgios; Ibragimov, Iskander; Iconomidou-Fayard, Lydia; Ideal, Emma; Iengo, Paolo; Igonkina, Olga; Iizawa, Tomoya; Ikegami, Yoichi; Ikematsu, Katsumasa; Ikeno, Masahiro; Ilchenko, Iurii; Iliadis, Dimitrios; Ilic, Nikolina; Inamaru, Yuki; Ince, Tayfun; Ioannou, Pavlos; Iodice, Mauro; Iordanidou, Kalliopi; Ippolito, Valerio; Irles Quiles, Adrian; Isaksson, Charlie; Ishino, Masaya; Ishitsuka, Masaki; Ishmukhametov, Renat; Issever, Cigdem; Istin, Serhat; Iturbe Ponce, Julia Mariana; Iuppa, Roberto; Ivarsson, Jenny; Iwanski, Wieslaw; Iwasaki, Hiroyuki; Izen, Joseph; Izzo, Vincenzo; Jackson, Brett; Jackson, Matthew; Jackson, Paul; Jaekel, Martin; Jain, Vivek; Jakobs, Karl; Jakobsen, Sune; Jakoubek, Tomas; Jakubek, Jan; Jamin, David Olivier; Jana, Dilip; Jansen, Eric; Jansen, Hendrik; Janssen, Jens; Janus, Michel; Jarlskog, Göran; Javadov, Namig; Javůrek, Tomáš; Jeanty, Laura; Jejelava, Juansher; Jeng, Geng-yuan; Jennens, David; Jenni, Peter; Jentzsch, Jennifer; Jeske, Carl; Jézéquel, Stéphane; Ji, Haoshuang; Ji, Weina; Jia, Jiangyong; Jiang, Yi; Jimenez Belenguer, Marcos; Jin, Shan; Jinaru, Adam; Jinnouchi, Osamu; Joergensen, Morten Dam; Johansson, Erik; Johansson, Per; Johns, Kenneth; Jon-And, Kerstin; Jones, Graham; Jones, Roger; Jones, Tim; Jongmanns, Jan; Jorge, Pedro; Joshi, Kiran Daniel; Jovicevic, Jelena; Ju, Xiangyang; Jung, Christian; Jungst, Ralph Markus; Jussel, Patrick; Juste Rozas, Aurelio; Kaci, Mohammed; Kaczmarska, Anna; Kado, Marumi; Kagan, Harris; Kagan, Michael; Kajomovitz, Enrique; Kalderon, Charles William; Kama, Sami; Kamenshchikov, Andrey; Kanaya, Naoko; Kaneda, Michiru; Kaneti, Steven; Kantserov, Vadim; Kanzaki, Junichi; Kaplan, Benjamin; Kapliy, Anton; Kar, Deepak; Karakostas, Konstantinos; Karastathis, Nikolaos; Karnevskiy, Mikhail; Karpov, Sergey; Karpova, Zoya; Karthik, Krishnaiyengar; Kartvelishvili, Vakhtang; Karyukhin, Andrey; Kashif, Lashkar; Kasieczka, Gregor; Kass, Richard; Kastanas, Alex; Kataoka, Yousuke; Katre, Akshay; Katzy, Judith; Kaushik, Venkatesh; Kawagoe, Kiyotomo; Kawamoto, Tatsuo; Kawamura, Gen; Kazama, Shingo; Kazanin, Vassili; Kazarinov, Makhail; Keeler, Richard; Kehoe, Robert; Keil, Markus; Keller, John; Kempster, Jacob Julian; Keoshkerian, Houry; Kepka, Oldrich; Kerševan, Borut Paul; Kersten, Susanne; Kessoku, Kohei; Keung, Justin; Khalil-zada, Farkhad; Khandanyan, Hovhannes; Khanov, Alexander; Khodinov, Alexander; Khomich, Andrei; Khoo, Teng Jian; Khoriauli, Gia; Khoroshilov, Andrey; Khovanskiy, Valery; Khramov, Evgeniy; Khubua, Jemal; Kim, Hee Yeun; Kim, Hyeon Jin; Kim, Shinhong; Kimura, Naoki; Kind, Oliver; King, Barry; King, Matthew; King, Robert Steven Beaufoy; King, Samuel Burton; Kirk, Julie; Kiryunin, Andrey; Kishimoto, Tomoe; Kisielewska, Danuta; Kiss, Florian; Kittelmann, Thomas; Kiuchi, Kenji; Kladiva, Eduard; Klein, Max; Klein, Uta; Kleinknecht, Konrad; Klimek, Pawel; Klimentov, Alexei; Klingenberg, Reiner; Klinger, Joel Alexander; Klioutchnikova, Tatiana; Klok, Peter; Kluge, Eike-Erik; Kluit, Peter; Kluth, Stefan; Kneringer, Emmerich; Knoops, Edith; Knue, Andrea; Kobayashi, Dai; Kobayashi, Tomio; Kobel, Michael; Kocian, Martin; Kodys, Peter; Koevesarki, Peter; Koffas, Thomas; Koffeman, Els; Kogan, Lucy Anne; Kohlmann, Simon; Kohout, Zdenek; Kohriki, Takashi; Koi, Tatsumi; Kolanoski, Hermann; Koletsou, Iro; Koll, James; Komar, Aston; Komori, Yuto; Kondo, Takahiko; Kondrashova, Nataliia; Köneke, Karsten; König, Adriaan; König, Sebastian; Kono, Takanori; Konoplich, Rostislav; Konstantinidis, Nikolaos; Kopeliansky, Revital; Koperny, Stefan; Köpke, Lutz; Kopp, Anna Katharina; Korcyl, Krzysztof; Kordas, Kostantinos; Korn, Andreas; Korol, Aleksandr; Korolkov, Ilya; Korolkova, Elena; Korotkov, Vladislav; Kortner, Oliver; Kortner, Sandra; Kostyukhin, Vadim; Kotov, Vladislav; Kotwal, Ashutosh; Kourkoumelis, Christine; Kouskoura, Vasiliki; Koutsman, Alex; Kowalewski, Robert Victor; Kowalski, Tadeusz; Kozanecki, Witold; Kozhin, Anatoly; Kral, Vlastimil; Kramarenko, Viktor; Kramberger, Gregor; Krasnopevtsev, Dimitriy; Krasny, Mieczyslaw Witold; Krasznahorkay, Attila; Kraus, Jana; Kravchenko, Anton; Kreiss, Sven; Kretz, Moritz; Kretzschmar, Jan; Kreutzfeldt, Kristof; Krieger, Peter; Kroeninger, Kevin; Kroha, Hubert; Kroll, Joe; Kroseberg, Juergen; Krstic, Jelena; Kruchonak, Uladzimir; Krüger, Hans; Kruker, Tobias; Krumnack, Nils; Krumshteyn, Zinovii; Kruse, Amanda; Kruse, Mark; Kruskal, Michael; Kubota, Takashi; Kuday, Sinan; Kuehn, Susanne; Kugel, Andreas; Kuhl, Andrew; Kuhl, Thorsten; Kukhtin, Victor; Kulchitsky, Yuri; Kuleshov, Sergey; Kuna, Marine; Kunkle, Joshua; Kupco, Alexander; Kurashige, Hisaya; Kurochkin, Yurii; Kurumida, Rie; Kus, Vlastimil; Kuwertz, Emma Sian; Kuze, Masahiro; Kvita, Jiri; La Rosa, Alessandro; La Rotonda, Laura; Lacasta, Carlos; Lacava, Francesco; Lacey, James; Lacker, Heiko; Lacour, Didier; Lacuesta, Vicente Ramón; Ladygin, Evgueni; Lafaye, Remi; Laforge, Bertrand; Lagouri, Theodota; Lai, Stanley; Laier, Heiko; Lambourne, Luke; Lammers, Sabine; Lampen, Caleb; Lampl, Walter; Lançon, Eric; Landgraf, Ulrich; Landon, Murrough; Lang, Valerie Susanne; Lankford, Andrew; Lanni, Francesco; Lantzsch, Kerstin; Laplace, Sandrine; Lapoire, Cecile; Laporte, Jean-Francois; Lari, Tommaso; Lassnig, Mario; Laurelli, Paolo; Lavrijsen, Wim; Law, Alexander; Laycock, Paul; Le, Bao Tran; Le Dortz, Olivier; Le Guirriec, Emmanuel; Le Menedeu, Eve; LeCompte, Thomas; Ledroit-Guillon, Fabienne Agnes Marie; Lee, Claire Alexandra; Lee, Hurng-Chun; Lee, Jason; Lee, Shih-Chang; Lee, Lawrence; Lefebvre, Guillaume; Lefebvre, Michel; Legger, Federica; Leggett, Charles; Lehan, Allan; Lehmacher, Marc; Lehmann Miotto, Giovanna; Lei, Xiaowen; Leight, William Axel; Leisos, Antonios; Leister, Andrew Gerard; Leite, Marco Aurelio Lisboa; Leitner, Rupert; Lellouch, Daniel; Lemmer, Boris; Leney, Katharine; Lenz, Tatjana; Lenzen, Georg; Lenzi, Bruno; Leone, Robert; Leone, Sandra; Leonhardt, Kathrin; Leonidopoulos, Christos; Leontsinis, Stefanos; Leroy, Claude; Lester, Christopher; Lester, Christopher Michael; Levchenko, Mikhail; Levêque, Jessica; Levin, Daniel; Levinson, Lorne; Levy, Mark; Lewis, Adrian; Lewis, George; Leyko, Agnieszka; Leyton, Michael; Li, Bing; Li, Bo; Li, Haifeng; Li, Ho Ling; Li, Lei; Li, Liang; Li, Shu; Li, Yichen; Liang, Zhijun; Liao, Hongbo; Liberti, Barbara; Lichard, Peter; Lie, Ki; Liebal, Jessica; Liebig, Wolfgang; Limbach, Christian; Limosani, Antonio; Lin, Simon; Lin, Tai-Hua; Linde, Frank; Lindquist, Brian Edward; Linnemann, James; Lipeles, Elliot; Lipniacka, Anna; Lisovyi, Mykhailo; Liss, Tony; Lissauer, David; Lister, Alison; Litke, Alan; Liu, Bo; Liu, Dong; Liu, Jianbei; Liu, Kun; Liu, Lulu; Liu, Miaoyuan; Liu, Minghui; Liu, Yanwen; Livan, Michele; Livermore, Sarah; Lleres, Annick; Llorente Merino, Javier; Lloyd, Stephen; Lo Sterzo, Francesco; Lobodzinska, Ewelina; Loch, Peter; Lockman, William; Loddenkoetter, Thomas; Loebinger, Fred; Loevschall-Jensen, Ask Emil; Loginov, Andrey; Loh, Chang Wei; Lohse, Thomas; Lohwasser, Kristin; Lokajicek, Milos; Lombardo, Vincenzo Paolo; Long, Brian Alexander; Long, Jonathan; Long, Robin Eamonn; Lopes, Lourenco; Lopez Mateos, David; Lopez Paredes, Brais; Lopez Paz, Ivan; Lorenz, Jeanette; Lorenzo Martinez, Narei; Losada, Marta; Loscutoff, Peter; Lou, XinChou; Lounis, Abdenour; Love, Jeremy; Love, Peter; Lowe, Andrew; Lu, Feng; Lubatti, Henry; Luci, Claudio; Lucotte, Arnaud; Luehring, Frederick; Lukas, Wolfgang; Luminari, Lamberto; Lundberg, Olof; Lund-Jensen, Bengt; Lungwitz, Matthias; Lynn, David; Lysak, Roman; Lytken, Else; Ma, Hong; Ma, Lian Liang; Maccarrone, Giovanni; Macchiolo, Anna; Machado Miguens, Joana; Macina, Daniela; Madaffari, Daniele; Madar, Romain; Maddocks, Harvey Jonathan; Mader, Wolfgang; Madsen, Alexander; Maeno, Mayuko; Maeno, Tadashi; Magradze, Erekle; Mahboubi, Kambiz; Mahlstedt, Joern; Mahmoud, Sara; Maiani, Camilla; Maidantchik, Carmen; Maier, Andreas Alexander; Maio, Amélia; Majewski, Stephanie; Makida, Yasuhiro; Makovec, Nikola; Mal, Prolay; Malaescu, Bogdan; Malecki, Pawel; Maleev, Victor; Malek, Fairouz; Mallik, Usha; Malon, David; Malone, Caitlin; Maltezos, Stavros; Malyshev, Vladimir; Malyukov, Sergei; Mamuzic, Judita; Mandelli, Beatrice; Mandelli, Luciano; Mandić, Igor; Mandrysch, Rocco; Maneira, José; Manfredini, Alessandro; Manhaes de Andrade Filho, Luciano; Manjarres Ramos, Joany Andreina; Mann, Alexander; Manning, Peter; Manousakis-Katsikakis, Arkadios; Mansoulie, Bruno; Mantifel, Rodger; Mapelli, Livio; March, Luis; Marchand, Jean-Francois; Marchiori, Giovanni; Marcisovsky, Michal; Marino, Christopher; Marjanovic, Marija; Marques, Carlos; Marroquim, Fernando; Marsden, Stephen Philip; Marshall, Zach; Marti, Lukas Fritz; Marti-Garcia, Salvador; Martin, Brian; Martin, Brian Thomas; Martin, Tim; Martin, Victoria Jane; Martin dit Latour, Bertrand; Martinez, Homero; Martinez, Mario; Martin-Haugh, Stewart; Martyniuk, Alex; Marx, Marilyn; Marzano, Francesco; Marzin, Antoine; Masetti, Lucia; Mashimo, Tetsuro; Mashinistov, Ruslan; Masik, Jiri; Maslennikov, Alexey; Massa, Ignazio; Massol, Nicolas; Mastrandrea, Paolo; Mastroberardino, Anna; Masubuchi, Tatsuya; Mättig, Peter; Mattmann, Johannes; Maurer, Julien; Maxfield, Stephen; Maximov, Dmitriy; Mazini, Rachid; Mazzaferro, Luca; Mc Goldrick, Garrin; Mc Kee, Shawn Patrick; McCarn, Allison; McCarthy, Robert; McCarthy, Tom; McCubbin, Norman; McFarlane, Kenneth; Mcfayden, Josh; Mchedlidze, Gvantsa; McMahon, Steve; McPherson, Robert; Meade, Andrew; Mechnich, Joerg; Medinnis, Michael; Meehan, Samuel; Mehlhase, Sascha; Mehta, Andrew; Meier, Karlheinz; Meineck, Christian; Meirose, Bernhard; Melachrinos, Constantinos; Mellado Garcia, Bruce Rafael; Meloni, Federico; Mengarelli, Alberto; Menke, Sven; Meoni, Evelin; Mercurio, Kevin Michael; Mergelmeyer, Sebastian; Meric, Nicolas; Mermod, Philippe; Merola, Leonardo; Meroni, Chiara; Merritt, Frank; Merritt, Hayes; Messina, Andrea; Metcalfe, Jessica; Mete, Alaettin Serhan; Meyer, Carsten; Meyer, Christopher; Meyer, Jean-Pierre; Meyer, Jochen; Middleton, Robin; Migas, Sylwia; Mijović, Liza; Mikenberg, Giora; Mikestikova, Marcela; Mikuž, Marko; Milic, Adriana; Miller, David; Mills, Corrinne; Milov, Alexander; Milstead, David; Milstein, Dmitry; Minaenko, Andrey; Minashvili, Irakli; Mincer, Allen; Mindur, Bartosz; Mineev, Mikhail; Ming, Yao; Mir, Lluisa-Maria; Mirabelli, Giovanni; Mitani, Takashi; Mitrevski, Jovan; Mitsou, Vasiliki A; Mitsui, Shingo; Miucci, Antonio; Miyagawa, Paul; Mjörnmark, Jan-Ulf; Moa, Torbjoern; Mochizuki, Kazuya; Mohapatra, Soumya; Mohr, Wolfgang; Molander, Simon; Moles-Valls, Regina; Mönig, Klaus; Monini, Caterina; Monk, James; Monnier, Emmanuel; Montejo Berlingen, Javier; Monticelli, Fernando; Monzani, Simone; Moore, Roger; Moraes, Arthur; Morange, Nicolas; Moreno, Deywis; Moreno Llácer, María; Morettini, Paolo; Morgenstern, Marcus; Morii, Masahiro; Moritz, Sebastian; Morley, Anthony Keith; Mornacchi, Giuseppe; Morris, John; Morvaj, Ljiljana; Moser, Hans-Guenther; Mosidze, Maia; Moss, Josh; Motohashi, Kazuki; Mount, Richard; Mountricha, Eleni; Mouraviev, Sergei; Moyse, Edward; Muanza, Steve; Mudd, Richard; Mueller, Felix; Mueller, James; Mueller, Klemens; Mueller, Thibaut; Mueller, Timo; Muenstermann, Daniel; Munwes, Yonathan; Murillo Quijada, Javier Alberto; Murray, Bill; Musheghyan, Haykuhi; Musto, Elisa; Myagkov, Alexey; Myska, Miroslav; Nackenhorst, Olaf; Nadal, Jordi; Nagai, Koichi; Nagai, Ryo; Nagai, Yoshikazu; Nagano, Kunihiro; Nagarkar, Advait; Nagasaka, Yasushi; Nagel, Martin; Nairz, Armin Michael; Nakahama, Yu; Nakamura, Koji; Nakamura, Tomoaki; Nakano, Itsuo; Namasivayam, Harisankar; Nanava, Gizo; Narayan, Rohin; Nattermann, Till; Naumann, Thomas; Navarro, Gabriela; Nayyar, Ruchika; Neal, Homer; Nechaeva, Polina; Neep, Thomas James; Nef, Pascal Daniel; Negri, Andrea; Negri, Guido; Negrini, Matteo; Nektarijevic, Snezana; Nelson, Andrew; Nelson, Timothy Knight; Nemecek, Stanislav; Nemethy, Peter; Nepomuceno, Andre Asevedo; Nessi, Marzio; Neubauer, Mark; Neumann, Manuel; Neves, Ricardo; Nevski, Pavel; Newman, Paul; Nguyen, Duong Hai; Nickerson, Richard; Nicolaidou, Rosy; Nicquevert, Bertrand; Nielsen, Jason; Nikiforou, Nikiforos; Nikiforov, Andriy; Nikolaenko, Vladimir; Nikolic-Audit, Irena; Nikolics, Katalin; Nikolopoulos, Konstantinos; Nilsson, Paul; Ninomiya, Yoichi; Nisati, Aleandro; Nisius, Richard; Nobe, Takuya; Nodulman, Lawrence; Nomachi, Masaharu; Nomidis, Ioannis; Norberg, Scarlet; Nordberg, Markus; Novgorodova, Olga; Nowak, Sebastian; Nozaki, Mitsuaki; Nozka, Libor; Ntekas, Konstantinos; Nunes Hanninger, Guilherme; Nunnemann, Thomas; Nurse, Emily; Nuti, Francesco; O'Brien, Brendan Joseph; O'grady, Fionnbarr; O'Neil, Dugan; O'Shea, Val; Oakham, Gerald; Oberlack, Horst; Obermann, Theresa; Ocariz, Jose; Ochi, Atsuhiko; Ochoa, Ines; Oda, Susumu; Odaka, Shigeru; Ogren, Harold; Oh, Alexander; Oh, Seog; Ohm, Christian; Ohman, Henrik; Ohshima, Takayoshi; Okamura, Wataru; Okawa, Hideki; Okumura, Yasuyuki; Okuyama, Toyonobu; Olariu, Albert; Olchevski, Alexander; Olivares Pino, Sebastian Andres; Oliveira Damazio, Denis; Oliver Garcia, Elena; Olszewski, Andrzej; Olszowska, Jolanta; Onofre, António; Onyisi, Peter; Oram, Christopher; Oreglia, Mark; Oren, Yona; Orestano, Domizia; Orlando, Nicola; Oropeza Barrera, Cristina; Orr, Robert; Osculati, Bianca; Ospanov, Rustem; Otero y Garzon, Gustavo; Otono, Hidetoshi; Ouchrif, Mohamed; Ouellette, Eric; Ould-Saada, Farid; Ouraou, Ahmimed; Oussoren, Koen Pieter; Ouyang, Qun; Ovcharova, Ana; Owen, Mark; Ozcan, Veysi Erkcan; Ozturk, Nurcan; Pachal, Katherine; Pacheco Pages, Andres; Padilla Aranda, Cristobal; Pagáčová, Martina; Pagan Griso, Simone; Paganis, Efstathios; Pahl, Christoph; Paige, Frank; Pais, Preema; Pajchel, Katarina; Palacino, Gabriel; Palestini, Sandro; Palka, Marek; Pallin, Dominique; Palma, Alberto; Palmer, Jody; Pan, Yibin; Panagiotopoulou, Evgenia; Panduro Vazquez, William; Pani, Priscilla; Panikashvili, Natalia; Panitkin, Sergey; Pantea, Dan; Paolozzi, Lorenzo; Papadopoulou, Theodora; Papageorgiou, Konstantinos; Paramonov, Alexander; Paredes Hernandez, Daniela; Parker, Michael Andrew; Parodi, Fabrizio; Parsons, John; Parzefall, Ulrich; Pasqualucci, Enrico; Passaggio, Stefano; Passeri, Antonio; Pastore, Fernanda; Pastore, Francesca; Pásztor, Gabriella; Pataraia, Sophio; Patel, Nikhul; Pater, Joleen; Patricelli, Sergio; Pauly, Thilo; Pearce, James; Pedersen, Maiken; Pedraza Lopez, Sebastian; Pedro, Rute; Peleganchuk, Sergey; Pelikan, Daniel; Peng, Haiping; Penning, Bjoern; Penwell, John; Perepelitsa, Dennis; Perez Codina, Estel; Pérez García-Estañ, María Teresa; Perez Reale, Valeria; Perini, Laura; Pernegger, Heinz; Perrino, Roberto; Peschke, Richard; Peshekhonov, Vladimir; Peters, Krisztian; Peters, Yvonne; Petersen, Brian; Petersen, Troels; Petit, Elisabeth; Petridis, Andreas; Petridou, Chariclia; Petrolo, Emilio; Petrucci, Fabrizio; Pettersson, Nora Emilia; Pezoa, Raquel; Phillips, Peter William; Piacquadio, Giacinto; Pianori, Elisabetta; Picazio, Attilio; Piccaro, Elisa; Piccinini, Maurizio; Piegaia, Ricardo; Pignotti, David; Pilcher, James; Pilkington, Andrew; Pina, João Antonio; Pinamonti, Michele; Pinder, Alex; Pinfold, James; Pingel, Almut; Pinto, Belmiro; Pires, Sylvestre; Pitt, Michael; Pizio, Caterina; Plazak, Lukas; Pleier, Marc-Andre; Pleskot, Vojtech; Plotnikova, Elena; Plucinski, Pawel; Poddar, Sahill; Podlyski, Fabrice; Poettgen, Ruth; Poggioli, Luc; Pohl, David-leon; Pohl, Martin; Polesello, Giacomo; Policicchio, Antonio; Polifka, Richard; Polini, Alessandro; Pollard, Christopher Samuel; Polychronakos, Venetios; Pommès, Kathy; Pontecorvo, Ludovico; Pope, Bernard; Popeneciu, Gabriel Alexandru; Popovic, Dragan; Poppleton, Alan; Portell Bueso, Xavier; Pospisil, Stanislav; Potamianos, Karolos; Potrap, Igor; Potter, Christina; Potter, Christopher; Poulard, Gilbert; Poveda, Joaquin; Pozdnyakov, Valery; Pralavorio, Pascal; Pranko, Aliaksandr; Prasad, Srivas; Pravahan, Rishiraj; Prell, Soeren; Price, Darren; Price, Joe; Price, Lawrence; Prieur, Damien; Primavera, Margherita; Proissl, Manuel; Prokofiev, Kirill; Prokoshin, Fedor; Protopapadaki, Eftychia-sofia; Protopopescu, Serban; Proudfoot, James; Przybycien, Mariusz; Przysiezniak, Helenka; Ptacek, Elizabeth; Puddu, Daniele; Pueschel, Elisa; Puldon, David; Purohit, Milind; Puzo, Patrick; Qian, Jianming; Qin, Gang; Qin, Yang; Quadt, Arnulf; Quarrie, David; Quayle, William; Queitsch-Maitland, Michaela; Quilty, Donnchadha; Qureshi, Anum; Radeka, Veljko; Radescu, Voica; Radhakrishnan, Sooraj Krishnan; Radloff, Peter; Rados, Pere; Ragusa, Francesco; Rahal, Ghita; Rajagopalan, Srinivasan; Rammensee, Michael; Randle-Conde, Aidan Sean; Rangel-Smith, Camila; Rao, Kanury; Rauscher, Felix; Rave, Tobias Christian; Ravenscroft, Thomas; Raymond, Michel; Read, Alexander Lincoln; Readioff, Nathan Peter; Rebuzzi, Daniela; Redelbach, Andreas; Redlinger, George; Reece, Ryan; Reeves, Kendall; Rehnisch, Laura; Reisin, Hernan; Relich, Matthew; Rembser, Christoph; Ren, Huan; Ren, Zhongliang; Renaud, Adrien; Rescigno, Marco; Resconi, Silvia; Rezanova, Olga; Reznicek, Pavel; Rezvani, Reyhaneh; Richter, Robert; Ridel, Melissa; Rieck, Patrick; Rieger, Julia; Rijssenbeek, Michael; Rimoldi, Adele; Rinaldi, Lorenzo; Ritsch, Elmar; Riu, Imma; Rizatdinova, Flera; Rizvi, Eram; Robertson, Steven; Robichaud-Veronneau, Andree; Robinson, Dave; Robinson, James; Robson, Aidan; Roda, Chiara; Rodrigues, Luis; Roe, Shaun; Røhne, Ole; Rolli, Simona; Romaniouk, Anatoli; Romano, Marino; Romero Adam, Elena; Rompotis, Nikolaos; Roos, Lydia; Ros, Eduardo; Rosati, Stefano; Rosbach, Kilian; Rose, Matthew; Rosendahl, Peter Lundgaard; Rosenthal, Oliver; Rossetti, Valerio; Rossi, Elvira; Rossi, Leonardo Paolo; Rosten, Rachel; Rotaru, Marina; Roth, Itamar; Rothberg, Joseph; Rousseau, David; Royon, Christophe; Rozanov, Alexandre; Rozen, Yoram; Ruan, Xifeng; Rubbo, Francesco; Rubinskiy, Igor; Rud, Viacheslav; Rudolph, Christian; Rudolph, Matthew Scott; Rühr, Frederik; Ruiz-Martinez, Aranzazu; Rurikova, Zuzana; Rusakovich, Nikolai; Ruschke, Alexander; Rutherfoord, John; Ruthmann, Nils; Ryabov, Yury; Rybar, Martin; Rybkin, Grigori; Ryder, Nick; Saavedra, Aldo; Sacerdoti, Sabrina; Saddique, Asif; Sadeh, Iftach; Sadrozinski, Hartmut; Sadykov, Renat; Safai Tehrani, Francesco; Sakamoto, Hiroshi; Sakurai, Yuki; Salamanna, Giuseppe; Salamon, Andrea; Saleem, Muhammad; Salek, David; Sales De Bruin, Pedro Henrique; Salihagic, Denis; Salnikov, Andrei; Salt, José; Salvachua Ferrando, Belén; Salvatore, Daniela; Salvatore, Pasquale Fabrizio; Salvucci, Antonio; Salzburger, Andreas; Sampsonidis, Dimitrios; Sanchez, Arturo; Sánchez, Javier; Sanchez Martinez, Victoria; Sandaker, Heidi; Sandbach, Ruth Laura; Sander, Heinz Georg; Sanders, Michiel; Sandhoff, Marisa; Sandoval, Tanya; Sandoval, Carlos; Sandstroem, Rikard; Sankey, Dave; Sansoni, Andrea; Santoni, Claudio; Santonico, Rinaldo; Santos, Helena; Santoyo Castillo, Itzebelt; Sapp, Kevin; Sapronov, Andrey; Saraiva, João; Sarrazin, Bjorn; Sartisohn, Georg; Sasaki, Osamu; Sasaki, Yuichi; Sauvage, Gilles; Sauvan, Emmanuel; Savard, Pierre; Savu, Dan Octavian; Sawyer, Craig; Sawyer, Lee; Saxon, David; Saxon, James; Sbarra, Carla; Sbrizzi, Antonio; Scanlon, Tim; Scannicchio, Diana; Scarcella, Mark; Scarfone, Valerio; Schaarschmidt, Jana; Schacht, Peter; Schaefer, Douglas; Schaefer, Ralph; Schaepe, Steffen; Schaetzel, Sebastian; Schäfer, Uli; Schaffer, Arthur; Schaile, Dorothee; Schamberger, R. Dean; Scharf, Veit; Schegelsky, Valery; Scheirich, Daniel; Schernau, Michael; Scherzer, Max; Schiavi, Carlo; Schieck, Jochen; Schillo, Christian; Schioppa, Marco; Schlenker, Stefan; Schmidt, Evelyn; Schmieden, Kristof; Schmitt, Christian; Schmitt, Sebastian; Schneider, Basil; Schnellbach, Yan Jie; Schnoor, Ulrike; Schoeffel, Laurent; Schoening, Andre; Schoenrock, Bradley Daniel; Schorlemmer, Andre Lukas; Schott, Matthias; Schouten, Doug; Schovancova, Jaroslava; Schramm, Steven; Schreyer, Manuel; Schroeder, Christian; Schuh, Natascha; Schultens, Martin Johannes; Schultz-Coulon, Hans-Christian; Schulz, Holger; Schumacher, Markus; Schumm, Bruce; Schune, Philippe; Schwanenberger, Christian; Schwartzman, Ariel; Schwegler, Philipp; Schwemling, Philippe; Schwienhorst, Reinhard; Schwindling, Jerome; Schwindt, Thomas; Schwoerer, Maud; Sciacca, Gianfranco; Scifo, Estelle; Sciolla, Gabriella; Scott, Bill; Scuri, Fabrizio; Scutti, Federico; Searcy, Jacob; Sedov, George; Sedykh, Evgeny; Seidel, Sally; Seiden, Abraham; Seifert, Frank; Seixas, José; Sekhniaidze, Givi; Sekula, Stephen; Selbach, Karoline Elfriede; Seliverstov, Dmitry; Sellers, Graham; Semprini-Cesari, Nicola; Serfon, Cedric; Serin, Laurent; Serkin, Leonid; Serre, Thomas; Seuster, Rolf; Severini, Horst; Sfiligoj, Tina; Sforza, Federico; Sfyrla, Anna; Shabalina, Elizaveta; Shamim, Mansoora; Shan, Lianyou; Shang, Ruo-yu; Shank, James; Shapiro, Marjorie; Shatalov, Pavel; Shaw, Kate; Shehu, Ciwake Yusufu; Sherwood, Peter; Shi, Liaoshan; Shimizu, Shima; Shimmin, Chase Owen; Shimojima, Makoto; Shiyakova, Mariya; Shmeleva, Alevtina; Shochet, Mel; Short, Daniel; Shrestha, Suyog; Shulga, Evgeny; Shupe, Michael; Shushkevich, Stanislav; Sicho, Petr; Sidiropoulou, Ourania; Sidorov, Dmitri; Sidoti, Antonio; Siegert, Frank; Sijacki, Djordje; Silva, José; Silver, Yiftah; Silverstein, Daniel; Silverstein, Samuel; Simak, Vladislav; Simard, Olivier; Simic, Ljiljana; Simion, Stefan; Simioni, Eduard; Simmons, Brinick; Simoniello, Rosa; Simonyan, Margar; Sinervo, Pekka; Sinev, Nikolai; Sipica, Valentin; Siragusa, Giovanni; Sircar, Anirvan; Sisakyan, Alexei; Sivoklokov, Serguei; Sjölin, Jörgen; Sjursen, Therese; Skottowe, Hugh Philip; Skovpen, Kirill; Skubic, Patrick; Slater, Mark; Slavicek, Tomas; Sliwa, Krzysztof; Smakhtin, Vladimir; Smart, Ben; Smestad, Lillian; Smirnov, Sergei; Smirnov, Yury; Smirnova, Lidia; Smirnova, Oxana; Smith, Kenway; Smizanska, Maria; Smolek, Karel; Snesarev, Andrei; Snidero, Giacomo; Snyder, Scott; Sobie, Randall; Socher, Felix; Soffer, Abner; Soh, Dart-yin; Solans, Carlos; Solar, Michael; Solc, Jaroslav; Soldatov, Evgeny; Soldevila, Urmila; Solfaroli Camillocci, Elena; Solodkov, Alexander; Soloshenko, Alexei; Solovyanov, Oleg; Solovyev, Victor; Sommer, Philip; Song, Hong Ye; Soni, Nitesh; Sood, Alexander; Sopczak, Andre; Sopko, Bruno; Sopko, Vit; Sorin, Veronica; Sosebee, Mark; Soualah, Rachik; Soueid, Paul; Soukharev, Andrey; South, David; Spagnolo, Stefania; Spanò, Francesco; Spearman, William Robert; Spettel, Fabian; Spighi, Roberto; Spigo, Giancarlo; Spiller, Laurence Anthony; Spousta, Martin; Spreitzer, Teresa; Spurlock, Barry; St Denis, Richard Dante; Staerz, Steffen; Stahlman, Jonathan; Stamen, Rainer; Stanecka, Ewa; Stanek, Robert; Stanescu, Cristian; Stanescu-Bellu, Madalina; Stanitzki, Marcel Michael; Stapnes, Steinar; Starchenko, Evgeny; Stark, Jan; Staroba, Pavel; Starovoitov, Pavel; Staszewski, Rafal; Stavina, Pavel; Steinberg, Peter; Stelzer, Bernd; Stelzer, Harald Joerg; Stelzer-Chilton, Oliver; Stenzel, Hasko; Stern, Sebastian; Stewart, Graeme; Stillings, Jan Andre; Stockton, Mark; Stoebe, Michael; Stoicea, Gabriel; Stolte, Philipp; Stonjek, Stefan; Stradling, Alden; Straessner, Arno; Stramaglia, Maria Elena; Strandberg, Jonas; Strandberg, Sara; Strandlie, Are; Strauss, Emanuel; Strauss, Michael; Strizenec, Pavol; Ströhmer, Raimund; Strom, David; Stroynowski, Ryszard; Stucci, Stefania Antonia; Stugu, Bjarne; Styles, Nicholas Adam; Su, Dong; Su, Jun; Subramania, Halasya Siva; Subramaniam, Rajivalochan; Succurro, Antonella; Sugaya, Yorihito; Suhr, Chad; Suk, Michal; Sulin, Vladimir; Sultansoy, Saleh; Sumida, Toshi; Sun, Xiaohu; Sundermann, Jan Erik; Suruliz, Kerim; Susinno, Giancarlo; Sutton, Mark; Suzuki, Yu; Svatos, Michal; Swedish, Stephen; Swiatlowski, Maximilian; Sykora, Ivan; Sykora, Tomas; Ta, Duc; Taccini, Cecilia; Tackmann, Kerstin; Taenzer, Joe; Taffard, Anyes; Tafirout, Reda; Taiblum, Nimrod; Takahashi, Yuta; Takai, Helio; Takashima, Ryuichi; Takeda, Hiroshi; Takeshita, Tohru; Takubo, Yosuke; Talby, Mossadek; Talyshev, Alexey; Tam, Jason; Tan, Kong Guan; Tanaka, Junichi; Tanaka, Reisaburo; Tanaka, Satoshi; Tanaka, Shuji; Tanasijczuk, Andres Jorge; Tannenwald, Benjamin Bordy; Tannoury, Nancy; Tapprogge, Stefan; Tarem, Shlomit; Tarrade, Fabien; Tartarelli, Giuseppe Francesco; Tas, Petr; Tasevsky, Marek; Tashiro, Takuya; Tassi, Enrico; Tavares Delgado, Ademar; Tayalati, Yahya; Taylor, Frank; Taylor, Geoffrey; Taylor, Wendy; Teischinger, Florian Alfred; Teixeira Dias Castanheira, Matilde; Teixeira-Dias, Pedro; Temming, Kim Katrin; Ten Kate, Herman; Teng, Ping-Kun; Teoh, Jia Jian; Terada, Susumu; Terashi, Koji; Terron, Juan; Terzo, Stefano; Testa, Marianna; Teuscher, Richard; Therhaag, Jan; Theveneaux-Pelzer, Timothée; Thomas, Juergen; Thomas-Wilsker, Joshuha; Thompson, Emily; Thompson, Paul; Thompson, Peter; Thompson, Stan; Thomsen, Lotte Ansgaard; Thomson, Evelyn; Thomson, Mark; Thong, Wai Meng; Thun, Rudolf; Tian, Feng; Tibbetts, Mark James; Tikhomirov, Vladimir; Tikhonov, Yury; Timoshenko, Sergey; Tiouchichine, Elodie; Tipton, Paul; Tisserant, Sylvain; Todorov, Theodore; Todorova-Nova, Sharka; Toggerson, Brokk; Tojo, Junji; Tokár, Stanislav; Tokushuku, Katsuo; Tollefson, Kirsten; Tomlinson, Lee; Tomoto, Makoto; Tompkins, Lauren; Toms, Konstantin; Topilin, Nikolai; Torrence, Eric; Torres, Heberth; Torró Pastor, Emma; Toth, Jozsef; Touchard, Francois; Tovey, Daniel; Tran, Huong Lan; Trefzger, Thomas; Tremblet, Louis; Tricoli, Alessandro; Trigger, Isabel Marian; Trincaz-Duvoid, Sophie; Tripiana, Martin; Triplett, Nathan; Trischuk, William; Trocmé, Benjamin; Troncon, Clara; Trottier-McDonald, Michel; Trovatelli, Monica; True, Patrick; Trzebinski, Maciej; Trzupek, Adam; Tsarouchas, Charilaos; Tseng, Jeffrey; Tsiareshka, Pavel; Tsionou, Dimitra; Tsipolitis, Georgios; Tsirintanis, Nikolaos; Tsiskaridze, Shota; Tsiskaridze, Vakhtang; Tskhadadze, Edisher; Tsukerman, Ilya; Tsulaia, Vakhtang; Tsuno, Soshi; Tsybychev, Dmitri; Tudorache, Alexandra; Tudorache, Valentina; Tuna, Alexander Naip; Tupputi, Salvatore; Turchikhin, Semen; Turecek, Daniel; Turk Cakir, Ilkay; Turra, Ruggero; Tuts, Michael; Tykhonov, Andrii; Tylmad, Maja; Tyndel, Mike; Uchida, Kirika; Ueda, Ikuo; Ueno, Ryuichi; Ughetto, Michael; Ugland, Maren; Uhlenbrock, Mathias; Ukegawa, Fumihiko; Unal, Guillaume; Undrus, Alexander; Unel, Gokhan; Ungaro, Francesca; Unno, Yoshinobu; Unverdorben, Christopher; Urbaniec, Dustin; Urquijo, Phillip; Usai, Giulio; Usanova, Anna; Vacavant, Laurent; Vacek, Vaclav; Vachon, Brigitte; Valencic, Nika; Valentinetti, Sara; Valero, Alberto; Valery, Loic; Valkar, Stefan; Valladolid Gallego, Eva; Vallecorsa, Sofia; Valls Ferrer, Juan Antonio; Van Den Wollenberg, Wouter; Van Der Deijl, Pieter; van der Geer, Rogier; van der Graaf, Harry; Van Der Leeuw, Robin; van der Ster, Daniel; van Eldik, Niels; van Gemmeren, Peter; Van Nieuwkoop, Jacobus; van Vulpen, Ivo; van Woerden, Marius Cornelis; Vanadia, Marco; Vandelli, Wainer; Vanguri, Rami; Vaniachine, Alexandre; Vankov, Peter; Vannucci, Francois; Vardanyan, Gagik; Vari, Riccardo; Varnes, Erich; Varol, Tulin; Varouchas, Dimitris; Vartapetian, Armen; Varvell, Kevin; Vazeille, Francois; Vazquez Schroeder, Tamara; Veatch, Jason; Veloso, Filipe; Veneziano, Stefano; Ventura, Andrea; Ventura, Daniel; Venturi, Manuela; Venturi, Nicola; Venturini, Alessio; Vercesi, Valerio; Verducci, Monica; Verkerke, Wouter; Vermeulen, Jos; Vest, Anja; Vetterli, Michel; Viazlo, Oleksandr; Vichou, Irene; Vickey, Trevor; Vickey Boeriu, Oana Elena; Viehhauser, Georg; Viel, Simon; Vigne, Ralph; Villa, Mauro; Villaplana Perez, Miguel; Vilucchi, Elisabetta; Vincter, Manuella; Vinogradov, Vladimir; Virzi, Joseph; Vivarelli, Iacopo; Vives Vaque, Francesc; Vlachos, Sotirios; Vladoiu, Dan; Vlasak, Michal; Vogel, Adrian; Vogel, Marcelo; Vokac, Petr; Volpi, Guido; Volpi, Matteo; von der Schmitt, Hans; von Radziewski, Holger; von Toerne, Eckhard; Vorobel, Vit; Vorobev, Konstantin; Vos, Marcel; Voss, Rudiger; Vossebeld, Joost; Vranjes, Nenad; Vranjes Milosavljevic, Marija; Vrba, Vaclav; Vreeswijk, Marcel; Vu Anh, Tuan; Vuillermet, Raphael; Vukotic, Ilija; Vykydal, Zdenek; Wagner, Peter; Wagner, Wolfgang; Wahlberg, Hernan; Wahrmund, Sebastian; Wakabayashi, Jun; Walder, James; Walker, Rodney; Walkowiak, Wolfgang; Wall, Richard; Waller, Peter; Walsh, Brian; Wang, Chao; Wang, Chiho; Wang, Fuquan; Wang, Haichen; Wang, Hulin; Wang, Jike; Wang, Jin; Wang, Kuhan; Wang, Rui; Wang, Song-Ming; Wang, Tan; Wang, Xiaoxiao; Wanotayaroj, Chaowaroj; Warburton, Andreas; Ward, Patricia; Wardrope, David Robert; Warsinsky, Markus; Washbrook, Andrew; Wasicki, Christoph; Watkins, Peter; Watson, Alan; Watson, Ian; Watson, Miriam; Watts, Gordon; Watts, Stephen; Waugh, Ben; Webb, Samuel; Weber, Michele; Weber, Stefan Wolf; Webster, Jordan S; Weidberg, Anthony; Weigell, Philipp; Weinert, Benjamin; Weingarten, Jens; Weiser, Christian; Weits, Hartger; Wells, Phillippa; Wenaus, Torre; Wendland, Dennis; Weng, Zhili; Wengler, Thorsten; Wenig, Siegfried; Wermes, Norbert; Werner, Matthias; Werner, Per; Wessels, Martin; Wetter, Jeffrey; Whalen, Kathleen; White, Andrew; White, Martin; White, Ryan; White, Sebastian; Whiteson, Daniel; Wicke, Daniel; Wickens, Fred; Wiedenmann, Werner; Wielers, Monika; Wienemann, Peter; Wiglesworth, Craig; Wiik-Fuchs, Liv Antje Mari; Wijeratne, Peter Alexander; Wildauer, Andreas; Wildt, Martin Andre; Wilkens, Henric George; Will, Jonas Zacharias; Williams, Hugh; Williams, Sarah; Willis, Christopher; Willocq, Stephane; Wilson, Alan; Wilson, John; Wingerter-Seez, Isabelle; Winklmeier, Frank; Winter, Benedict Tobias; Wittgen, Matthias; Wittig, Tobias; Wittkowski, Josephine; Wollstadt, Simon Jakob; Wolter, Marcin Wladyslaw; Wolters, Helmut; Wosiek, Barbara; Wotschack, Jorg; Woudstra, Martin; Wozniak, Krzysztof; Wright, Michael; Wu, Mengqing; Wu, Sau Lan; Wu, Xin; Wu, Yusheng; Wulf, Evan; Wyatt, Terry Richard; Wynne, Benjamin; Xella, Stefania; Xiao, Meng; Xu, Da; Xu, Lailin; Yabsley, Bruce; Yacoob, Sahal; Yamada, Miho; Yamaguchi, Hiroshi; Yamaguchi, Yohei; Yamamoto, Akira; Yamamoto, Kyoko; Yamamoto, Shimpei; Yamamura, Taiki; Yamanaka, Takashi; Yamauchi, Katsuya; Yamazaki, Yuji; Yan, Zhen; Yang, Haijun; Yang, Hongtao; Yang, Un-Ki; Yang, Yi; Yanush, Serguei; Yao, Liwen; Yao, Weiming; Yasu, Yoshiji; Yatsenko, Elena; Yau Wong, Kaven Henry; Ye, Jingbo; Ye, Shuwei; Yen, Andy L; Yildirim, Eda; Yilmaz, Metin; Yoosoofmiya, Reza; Yorita, Kohei; Yoshida, Rikutaro; Yoshihara, Keisuke; Young, Charles; Young, Christopher John; Youssef, Saul; Yu, David Ren-Hwa; Yu, Jaehoon; Yu, Jiaming; Yu, Jie; Yuan, Li; Yurkewicz, Adam; Yusuff, Imran; Zabinski, Bartlomiej; Zaidan, Remi; Zaitsev, Alexander; Zaman, Aungshuman; Zambito, Stefano; Zanello, Lucia; Zanzi, Daniele; Zeitnitz, Christian; Zeman, Martin; Zemla, Andrzej; Zengel, Keith; Zenin, Oleg; Ženiš, Tibor; Zerwas, Dirk; Zevi della Porta, Giovanni; Zhang, Dongliang; Zhang, Fangzhou; Zhang, Huaqiao; Zhang, Jinlong; Zhang, Lei; Zhang, Xueyao; Zhang, Zhiqing; Zhao, Zhengguo; Zhemchugov, Alexey; Zhong, Jiahang; Zhou, Bing; Zhou, Lei; Zhou, Ning; Zhu, Cheng Guang; Zhu, Hongbo; Zhu, Junjie; Zhu, Yingchun; Zhuang, Xuai; Zhukov, Konstantin; Zibell, Andre; Zieminska, Daria; Zimine, Nikolai; Zimmermann, Christoph; Zimmermann, Robert; Zimmermann, Simone; Zimmermann, Stephanie; Zinonos, Zinonas; Ziolkowski, Michael; Zobernig, Georg; Zoccoli, Antonio; zur Nedden, Martin; Zurzolo, Giovanni; Zutshi, Vishnu; Zwalinski, Lukasz

    2014-11-21

    A search for excited states of the $B^{\\pm}_c$ meson is performed using 4.9 fb$^{-1}$ of 7 TeV and 19.2 fb$^{-1}$ of 8 TeV $pp$ collision data collected by the ATLAS experiment at the LHC. A new state is observed through its hadronic transition to the ground state, with the latter detected in the decay $B_c^{\\pm} \\to J/\\psi \\pi^{\\pm}$. The state appears in the $m(B_c^{\\pm}\\pi^{+}\\pi^{-})-m(B_c^{\\pm})-2m(\\pi^{\\pm})$ mass difference distribution with a significance of 5.2 standard deviations. The mass of the observed state is $6842 \\pm 4 \\pm 5$~MeV, where the first error is statistical and the second is systematic. The mass and decay of this state are consistent with expectations for the second $S\\mbox{-}$wave state of the $B^{\\pm}_c$ meson, $B^{\\pm}_c(2S)$.

  17. The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

    KAUST Repository

    Song, Yin

    2015-06-07

    © 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

  18. Gulf States Strategic Vision to Face Iranian Nuclear Project

    Science.gov (United States)

    2015-09-01

    to my wife and children . Their inspiration and advocacy have been valuable during my time studying at NPS. Secondly, I wish to thank my colleague Col...nuclear capability to impose its hegemony and control the Arab countries and encourages rumors to promote anxiety in the Gulf states to expand political...creatively about mitigating vulnerabilities.192 FAILURE TO DEVELOP AND IMPLEMENT A POLICY OF D. PROLONGED INTERNATIONAL COMMUNITY DETERRENCE Joseph Pilat

  19. Ground and excited states for exotic three-body atomic systems

    Directory of Open Access Journals (Sweden)

    Gasaneo G.

    2010-04-01

    Full Text Available An Angular Correlated Configuration Interaction method is extended and applied to exotic threebody atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct, simultaneously and with a single diagonalization, ground and excited states wave functions which: (i satisfy exactly Kato cusp conditions at the two-body coalescence points; (ii have only linear parameters; (iii show a fast convergency rate for the energy; (iv form an orthogonal set. The efficiency of the construction is illustrated by the study a variety of three-body atomic systems [m1− m2− m3z3+ ] with two negatively charged light particles, with 123 diverse masses m1− and m2−, and a heavy positively charged nucleus m3z3+. The calculated ground 11S and several excited n1,3S state energies are compared with those given in the literature, when available. We also present a short discussion on the critical charge necessary to get a stable three-body system supporting two electrons, an electron and a muon, or two muons.

  20. Excited States and Optical Spectra Based on GW-BSE: Dimensionality and Screening

    Science.gov (United States)

    Louie, Steven G.

    In this talk, I discuss some recent developments and applications of first-principles GW plus Bethe Salpeter equation (GW-BSE) approach to the understanding and prediction of photo-excited states, optical responses, and related spectroscopic properties of materials, in particular atomically thin two-dimensional (2D) crystals. Owing to their reduced dimensionality, quasi-2D materials and their nanostructures can exhibit highly unusual behaviors. Symmetry, many-body interactions, doping, and substrate screening effects play a critical role in shaping qualitatively and quantitatively their excited-state properties. Accurate treatment of these effects, in particular many-electron interactions, poses new theoretical and computational challenges. I will present some new developments in addressing these challenges, and present studies on monolayer and few-layer transition metal dichalcogenides and metal monochalcogenides, as well as black phosphorus and other 2D crystals. Several highly interesting and unexpected phenomena are discovered: unusual excitonic level structures and optical selection rules; exchange-induced light-like (massless) exciton dispersion in 2D; tunable optical and plasmonic properties; and the dominant influence of substrate screening. I would like to acknowledge collaborations with members of the Louie group. This work was supported by U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences & Engineering Division, and by National Science Foundation.

  1. Excited state proton transfer in 9-aminoacridine carboxamides in water and in DNA

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Charles A. [Iowa State Univ., Ames, IA (United States)

    1995-09-26

    The 9-aminoacridine molecule is important in several different fields of chemistry. The absorption and fluorescence spectra of this compound are pH sensitive and it is this property that allowed it to be used as a pH probe in different chemical environments. The compound exhibits proton transfer reactions which are among the most fundamental of chemical reactions. The planarity of 9-aminoacridine allows it to intercalate into DNA. Intercalation is a process in which the aromatic flat surface of the intercalator inserts between adjacent base pairs of DNA. The large surface area of 9-aminoacridine`s fused tricyclic ring system allows strong intercalative binding through van der Waals attractions. 9-aminoacridine and many of its derivatives have been tried as possible antitumor drugs. The cytotoxicity of an antitumor agent can be dramatically increased through the addition of one or two cationic side chains. This increase in cytotoxicity using the 9-aminoacridine compound as a parent molecule has been investigated through various derivatives with cationic side chains consisting of different number of carbon atoms between the proximal and distal N atoms. Similar derivatives varied the position of the carboxamide side chain on the aromatic ring system. The objective of this work is to first create a baseline study of the excited state kinetics of the 9-aminoacridine carboxamides in the absence of DNA. The baseline study will allow the excited state kinetics of these antitumor drugs when placed in DNA to be more fully understood.

  2. Structures of Annulenes and Model Annulene Systems in the Ground and Lowest Excited States

    Directory of Open Access Journals (Sweden)

    Pier Remigio Salvi

    2010-11-01

    Full Text Available The paper introduces general considerations on structural properties of aromatic, antiaromatic and non-aromatic conjugated systems in terms of potential energy along bond length alternation and distortion coordinates, taking as examples benzene, cyclobutadiene and cyclooctatetraene. Pentalene, formally derived from cyclooctatetraene by cross linking, is also considered as a typical antiaromatic system. The main interest is concerned with [n]annulenes and model [n]annulene molecular systems, n ranging from 10 to 18. The rich variety of conformational and  configurational isomers and of dynamical processes among them is described. Specific attention is devoted to bridged [10]- and [14]annulenes in the ground and lowest excited states as well as to s-indacene and biphenylene. Experimental data obtained from vibrational and electronic spectroscopies are discussed and compared with ab initio calculation results. Finally, porphyrin, tetraoxaporphyrin dication and diprotonated porphyrin are presented as annulene structures adopting planar/non-planar geometries depending on the steric hindrance in the inner macrocycle ring. Radiative and non-radiative relaxation processes from excited state levels have been observed by means of time-resolved fluorescence and femtosecond transient absorption spectroscopy. A short account is also given of porphycene, the structural isomer of porphyrin, and of porphycene properties.

  3. Monitored steady-state excitation and recovery (MSSER) radiation force imaging using viscoelastic models.

    Science.gov (United States)

    Mauldin, F W; Haider, M A; Loboa, E G; Behler, R H; Euliss, L E; Pfeiler, T W; Gallippi, C M

    2008-07-01

    Acoustic radiation force imaging methods distinguish tissue structure and composition by monitoring tissue responses to applied radiation force excitations. Although these responses are a complex, multidimensional function of the geometric and viscoelastic nature of tissue, simplified discrete biomechanical models offer meaningful insight to the physical phenomena that govern induced tissue motion. Applying Voigt and standard linear viscoelastic tissue models, we present a new radiation force technique - monitored steady-state excitation and recovery (MSSER) imaging - that tracks both steady-state displacement during prolonged force application and transient response following force cessation to estimate tissue mechanical properties such as elasticity and viscosity. In concert with shear wave elasticity imaging (SWEI) estimates for Young's modulus, MSSER methods are useful for estimating tissue mechanical properties independent of the applied force magnitude. We test our methods in gelatin phantoms and excised pig muscle, with confirmation through mechanical property measurement. Our results measured 10.6 kPa, 14.7 kPa, and 17.1 kPa (gelatin) and 122.4 kPa (pig muscle) with less than 10% error. This work demonstrates the feasibility of MSSER imaging and merits further efforts to incorporate relevant mechanical tissue models into the development of novel radiation force imaging techniques.

  4. Generalization of the variational principle and the Hohenberg and Kohn theorems for excited states of Fermion systems

    Energy Technology Data Exchange (ETDEWEB)

    Gonis, A., E-mail: gonis@comcast.net

    2017-01-05

    Through the entanglement of a collection of K non-interacting replicas of a system of N interacting Fermions, and making use of the properties of reduced density matrices the variational principle and the theorems of Hohenberg and Kohn are generalized to excited states. The generalization of the variational principle makes use of the natural orbitals of an N-particle density matrix describing the state of lowest energy of the entangled state. The extension of the theorems of Hohenberg and Kohn is based on the ground-state formulation of density functional theory but with a new interpretation of the concept of a ground state: It is the state of lowest energy of a system of KN Fermions that is described in terms of the excited states of the N-particle interacting system. This straightforward implementation of the line of reasoning of ground-state density functional theory to a new domain leads to a unique and logically valid extension of the theory to excited states that allows the systematic treatment of all states in the spectrum of the Hamiltonian of an interacting system. - Highlights: • Use of entanglement in connection with the properties of density matrices. • An anti-symmetric entangled state of order KN expressed in terms of excited states of an interacting N-particle system.

  5. Twisting in the excited state of an N-methylpyridinium fluorescent dye modulated by nano-heterogeneous micellar systems.

    Science.gov (United States)

    Cesaretti, A; Carlotti, B; Gentili, P L; Germani, R; Spalletti, A; Elisei, F

    2016-04-01

    A push-pull N-methylpyridinium fluorescent dye with a pyrenyl group as the electron-donor portion was investigated within the nano-heterogeneous media provided by some micellar systems. The molecule was studied by stationary and time-resolved spectroscopic techniques in spherical micellar solutions and viscoelastic hydrogels, in order to throw light on the role played by twisting in its excited state deactivation. As proven by femtosecond fluorescence up-conversion and transient absorption experiments, the excited state dynamics of the molecule is ruled by charge transfer and twisting processes, which, from the locally excited (LE) state initially populated upon excitation, progressively lead to twisted (TICT) and planar (PICT) intramolecular charge transfer states. The inclusion within micellar aggregates was found to slow down and/or limit the rotation of the molecule with respect to what had previously been observed in water, while its confinement within the hydrophobic domains of the gel matrixes prevents any molecular torsion. The increasing viscosity of the medium, when passing from water to micellar systems, implies that the detected steady-state fluorescence comes from an excited state which is not fully relaxed, as is the case with the TICT state in micelles or the LE state in hydrogels, where the detected emission changes its usual orange colour to yellow.

  6. Reaction of H2with O2in Excited Electronic States: Reaction Pathways and Rate Constants.

    Science.gov (United States)

    Pelevkin, Alexey V; Loukhovitski, Boris I; Sharipov, Alexander S

    2017-12-21

    Comprehensive quantum chemical analysis with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to study the reactions of H 2 with O 2 in a 1 Δ g , b 1 Σ g + , c 1 Σ u - , and A' 3 Δ u electronically excited states. The energetically favorable reaction pathways and possible intersystem crossings have been revealed. The energy barriers were refined employing the extended multiconfiguration quasi-degenerate second-order perturbation theory. It has been shown that the interaction of O 2 (a 1 Δ g ) and O 2 (A' 3 Δ u ) with H 2 occurs through the H-abstraction process with relatively low activation barriers that resulted in the formation of the HO 2 molecule in A″ and A' electronic states, respectively. Meanwhile, molecular oxygen in singlet sigma states (b 1 Σ g + and c 1 Σ u - ) was proved to be nonreactive with respect to the molecular hydrogen. Appropriate rate constants for revealed reaction and quenching channels have been estimated using variational transition-state theory including corrections for the tunneling effect, possible nonadiabatic transitions, and anharmonicity of vibrations for transition states and reactants. It was demonstrated that the calculated reaction rate constant for the H 2 + O 2 (a 1 Δ g ) process is in reasonable agreement with known experimental data. The Arrhenius approximations for these processes have been proposed for the temperature range T = 300-3000 K.

  7. Probing the excited-state quantum phase transition through statistics of Loschmidt echo and quantum work

    Science.gov (United States)

    Wang, Qian; Quan, H. T.

    2017-09-01

    By analyzing the probability distributions of the Loschmidt echo (LE) and quantum work, we examine the nonequilibrium effects of a quantum many-body system, which exhibits an excited-state quantum phase transition (ESQPT). We find that depending on the value of the controlling parameter the distribution of the LE displays different patterns. At the critical point of the ESQPT, both the averaged LE and the averaged work show a cusplike shape. Furthermore, by employing the finite-size scaling analysis of the averaged work, we obtain the critical exponent of the ESQPT. Finally, we show that at the critical point of ESQPT the eigenstate is a highly localized state, further highlighting the influence of the ESQPT on the properties of the many-body system.

  8. Reduced probabilities for E2 transitions between excited collective states of triaxial even–even nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nadyrbekov, M. S., E-mail: nodirbekov@inp.uz; Bozarov, O. A. [Uzbek Academy of Sciences, Institute of Nuclear Physics (Uzbekistan)

    2017-01-15

    Reduced probabilities for intra- and interband E2 transitions in excited collective states of even–even lanthanide and actinide nuclei are analyzed on the basis of a model that admits an arbitrary triaxiality. They are studied in detail in the energy spectra of {sup 154}Sm, {sup 156}Gd, {sup 158}Dy, {sup 162,164}Er, {sup 230,232}Th, and {sup 232,234,236,238}U even–even nuclei. Theoretical and experimental values of the reduced probabilities for the respective E2 transitions are compared. This comparison shows good agreement for all states, including high-spin ones. The ratios of the reduced probabilities for the E2 transitions in question are compared with results following from the Alaga rules. These comparisons make it possible to assess the sensitivity of the probabilities being considered to the presence of quadrupole deformations.

  9. Shape coexistence at the proton drip-line: First identification of excited states in 180Pb

    CERN Document Server

    Rahkila, P; Pakarinen, J; Gray-Jones, C; Greenlees, P T; Jakobsson, U; Jones, P; Julin, R; Juutinen, S; Ketelhut, S; Koivisto, H; Leino, M; Nieminen, P; Nyman, M; Papadakis, P; Paschalis, S; Petri, M; Peura, P; Roberts, O J; Ropponen, T; Ruotsalainen, P; Saren, J; Scholey, C; Sorri, J; Tuff, A G; Uusitalo, J; Wadsworth, R; Bender, M; Heenen, P -H

    2010-01-01

    Excited states in the extremely neutron-deficient nucleus, 180Pb, have been identified for the first time using the JUROGAM II array in conjunction with the RITU recoil separator at the Accelerator Laboratory of the University of Jyvaskyla. This study lies at the limit of what is presently achievable with in-beam spectroscopy, with an estimated cross-section of only 10 nb for the 92Mo(90Zr,2n)180Pb reaction. A continuation of the trend observed in 182Pb and 184Pb is seen, where the prolate minimum continues to rise beyond the N=104 mid-shell with respect to the spherical ground state. Beyond mean-field calculations are in reasonable correspondence with the trends deduced from experiment.

  10. Maximum Theoretical Efficiency Limit of Photovoltaic Devices: Effect of Band Structure on Excited State Entropy.

    Science.gov (United States)

    Osterloh, Frank E

    2014-10-02

    The Shockley-Queisser analysis provides a theoretical limit for the maximum energy conversion efficiency of single junction photovoltaic cells. But besides the semiconductor bandgap no other semiconductor properties are considered in the analysis. Here, we show that the maximum conversion efficiency is limited further by the excited state entropy of the semiconductors. The entropy loss can be estimated with the modified Sackur-Tetrode equation as a function of the curvature of the bands, the degeneracy of states near the band edges, the illumination intensity, the temperature, and the band gap. The application of the second law of thermodynamics to semiconductors provides a simple explanation for the observed high performance of group IV, III-V, and II-VI materials with strong covalent bonding and for the lower efficiency of transition metal oxides containing weakly interacting metal d orbitals. The model also predicts efficient energy conversion with quantum confined and molecular structures in the presence of a light harvesting mechanism.

  11. Storing single photons emitted by a quantum memory on a highly excited Rydberg state.

    Science.gov (United States)

    Distante, Emanuele; Farrera, Pau; Padrón-Brito, Auxiliadora; Paredes-Barato, David; Heinze, Georg; de Riedmatten, Hugues

    2017-01-19

    Strong interaction between two single photons is a long standing and important goal in quantum photonics. This would enable a new regime of nonlinear optics and unlock several applications in quantum information science, including photonic quantum gates and deterministic Bell-state measurements. In the context of quantum networks, it would be important to achieve interactions between single photons from independent photon pairs storable in quantum memories. So far, most experiments showing nonlinearities at the single-photon level have used weak classical input light. Here we demonstrate the storage and retrieval of a paired single photon emitted by an ensemble quantum memory in a strongly nonlinear medium based on highly excited Rydberg atoms. We show that nonclassical correlations between the two photons persist after retrieval from the Rydberg ensemble. Our result is an important step towards deterministic photon-photon interactions, and may enable deterministic Bell-state measurements with multimode quantum memories.

  12. Optical limiting and excited-state absorption in fullerene solutions and doped glasses

    Energy Technology Data Exchange (ETDEWEB)

    McBranch, D.; Smilowitz, L.; Klimov, V. [and others

    1995-09-01

    We report the ground state and excited state optical absorption spectra in the visible and near infrared for several substituted fullerenes and higher fullerenes in toluene solutions. Based on these measurements, broadband predictions of the optical limiting performance of these molecules can be deduced. These predictions are then tested at 532 to 700 nm in intensity-dependent transmission measurements. We observe optical limiting in all fullerenes measured; higher fullerenes show the greatest potential for limiting in the near infrared (650-1000 nm), while substituted C{sub 60} shows optimal limiting in the visible (450-700 nm). We observe dramatically reduced limiting for solid forms of C{sub 60} (thin films and C{sub 60}-doped porous glasses), indicating that efficient optical limiting in fullerenes requires true molecular solutions.

  13. Symmetry Constraints and Diffusion Monte Carlo Calculations of Excited State Properties

    Science.gov (United States)

    Foulkes, W. M. C.; Hood, Randolph Q.; Needs, R. J.

    1998-03-01

    It is now well established that the fixed--node diffusion Monte Carlo (DMC) method can be used to carry out very accurate calculations of the ground state electronic properties of solids and molecules. For a system containing N electrons in three dimensions, a trial N--electron wavefunction is used to fix a nodal surface (the 3N - 1 dimensional surface on which the trial wavefunction is zero), and the DMC algorithm then projects out the lowest energy variational wavefunction consistent with that imposed nodal surface. In attempts to use DMC to calculate excited--state information, it has often been assumed that the DMC energy must be greater than or equal to the energy of the lowest exact eigenfunction with the same symmetry as the trial function. We show by constructing an explicit example that this common assumption is wrong, and that only a weaker and much less useful variational principle applies.

  14. Electron correlation effect on radiative decay processes of the core-excited states of Be-like ions

    Energy Technology Data Exchange (ETDEWEB)

    Sang, Cuicui, E-mail: sangcc@126.com [Department of Physics, Qinghai Normal University, Xining 810001 (China); Li, Kaikai [College of Forensic Science, People' s Public Security University of China, Beijing 100038 (China); Sun, Yan; Hu, Feng [School of Mathematic and Physical Science, Xuzhou Institute of Technology, Xuzhou 221400, Jiangsu (China)

    2016-07-15

    Highlights: • Radiative rates of the states 1s2s{sup 2}2p and 1s2p{sup 3} with Z = 8–54 are studied. • Electron correlation effect on the radiative transition rates is studied. • Forbidden transitions are explored. - Abstract: Energy levels and the radiative decay processes of the core-excited configurations 1s2s{sup 2}2p and 1s2p{sup 3} of Be-like ions with Z = 8–54 are studied. Electron correlation effect on the energy levels and the radiative transition rates are studied in detail. Except for E1 radiative transition rates, the E2, M1 and M2 forbidden transitions are also explored. Further relativistic corrections from the Breit interaction, quantum electrodynamics and the finite nuclear size are included in the calculations to make the results more precise. Good agreement is found between our results and other theoretical data.

  15. Picosecond excite-and-probe absorption measurement of the 4T2 state nonradiative lifetime in ruby

    Science.gov (United States)

    Gayen, S. K.; Wang, W. B.; Petricevic, V.; Dorsinville, R.; Alfano, R. R.

    1985-01-01

    In a picosecond excite-and-probe absorption measurement, a 527-nm picosecond pulse excites the 4T2 state of the Cr(3+) ion in ruby and a 3.4-micron picosecond probe pulse monitors the growth and decay of population in the 2E state as a function of pump-probe delay. From the growth of population in the metastable 2E state, an upper limit of 7 ps for the nonradiative lifetime of the 4T2 state is determined.

  16. Excitation functions of deuteron-induced nuclear reactions on natural platinum up to 24 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Khandaker, Mayeen Uddin, E-mail: mu_khandaker@yahoo.com [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Haba, Hiromitsu; Murakami, Masashi [Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Otuka, Naohiko [Nuclear Data Section, Division of Physical and Chemical Sciences, Department of Nuclear Sciences and Applications, International Atomic Energy Agency, A-1400 Vienna (Austria); Kassim, Hasan Abu [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-11-01

    Excitation functions of the {sup nat}Pt(d,x){sup 192,193,194,195,196m2,196,198m,198,199}Au, {sup 195m,197}Pt and {sup 190(g+m1+0.086m2),192(g+m1),194m}Ir nuclear reactions were measured from the respective threshold up to 24 MeV deuteron energy by using the stacked foil activation technique combined with HPGe gamma-ray spectrometry. Measured data were critically compared with the available literature data and theoretical data extracted from the TENDL-2013 library, and only partial agreement among them was found. Physical thick target yields for the investigated reaction products were also deduced and compared with the directly measured ones in the literature. The deduced yield curves indicate that a low energy cyclotron (<15 MeV) and a highly enriched {sup 198}Pt target could be used to obtain {sup 198,199}Au in no carrier added form. All cross-sections for {sup 190(g+m1+0.086m2),194m}Ir and those for {sup 193,194,196m2,196,199}Au, and {sup 195m,197}Pt in the lower energy region are reported for the first time.

  17. Excitation functions of (d,x) nuclear reactions on natural titanium up to 24 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Khandaker, Mayeen Uddin, E-mail: mu_khandaker@yahoo.com [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Haba, Hiromitsu; Kanaya, Jumpei [Nishina Center for Accelerator-based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Otuka, Naohiko [Nuclear Data Section, Division of Physical and Chemical Sciences, Department of Nuclear Sciences and Applications, International Atomic Energy Agency, A-1400 Vienna (Austria)

    2013-02-01

    Excitation functions of the {sup nat}Ti(d,x){sup 48}V and {sup nat}Ti(d,x){sup 43,44m,44g,46,47,48}Sc nuclear reactions were measured up to a 24-MeV deuteron energy by using a stacked-foil activation technique combined with γ-ray spectrometry with a high-purity germanium detector at the AVF cyclotron of the RIKEN RI Beam Factory, Wako, Japan. An overall good agreement is found between the measured cross-sections and the literature ones, whereas partial agreements are obtained for the theoretical calculations based on the TALYS code. Physical thick target yields, i.e., induced radioactivities per unit fluence of the 24-MeV deuteron were also deduced, and they were compared with the directly measured ones in the literature. The present results will have an important role in enrichment of the literature database of the deuteron-induced reactions on natural titanium leading to various applications.

  18. Excitation functions of (d,x) nuclear reactions on natural titanium up to 24 MeV

    Science.gov (United States)

    Khandaker, Mayeen Uddin; Haba, Hiromitsu; Kanaya, Jumpei; Otuka, Naohiko

    2013-02-01

    Excitation functions of the natTi(d,x)48V and natTi(d,x)43,44m,44g,46,47,48Sc nuclear reactions were measured up to a 24-MeV deuteron energy by using a stacked-foil activation technique combined with γ-ray spectrometry with a high-purity germanium detector at the AVF cyclotron of the RIKEN RI Beam Factory, Wako, Japan. An overall good agreement is found between the measured cross-sections and the literature ones, whereas partial agreements are obtained for the theoretical calculations based on the TALYS code. Physical thick target yields, i.e., induced radioactivities per unit fluence of the 24-MeV deuteron were also deduced, and they were compared with the directly measured ones in the literature. The present results will have an important role in enrichment of the literature database of the deuteron-induced reactions on natural titanium leading to various applications.

  19. Excitation functions of the proton induced nuclear reactions on natZn up to 40 MeV

    Science.gov (United States)

    Uddin, M. S.; Khandaker, M. U.; Kim, K. S.; Lee, Y. S.; Kim, G. N.

    2007-05-01

    We measured the excitation functions of the natZn(p,xn) 66,67Ga, natZn(p,pxn) 62,65,69mZn, and natZn(p,αxn) 61Cu nuclear processes up to 40 MeV by using a stacked-foil activation technique at the MC50 cyclotron of the Korea Institute of Radiological and Medical Sciences. The results were compared with the earlier reported experimental data and theoretical calculations based on the ALICE-IPPE code. We have given new data points for the formation of the above radionuclides. The present values are in good agreement with some well-measured literature values. Integral yields were also deduced from the measured cross-sections. The reported direct measured thick target yields for the formation of the 66Ga and 67Ga radionuclides at 22 MeV support our deduced yields. The optimum formation of the 66Ga and 61Cu radionuclides with minimum impurities can be obtained at 8-15 MeV and 10-20 MeV energy range, respectively. The yields and decay characteristics of the nuclide 65Zn are suitable for thin layer activation analysis.

  20. State of Nevada, Agency for Nuclear Projects/Nuclear Waste Project Office narrative report, January 1--June 30, 1991

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-08-01

    The Agency for Nuclear Projects/Nuclear Waste Project Office (NWPO) is the State of Nevada agency designated by State law to monitor and oversee US Department of Energy (DOE) activities relative to the possible siting, construction, operation and closure of a high-level nuclear waste repository at Yucca Mountain and to carry out the State of Nevada`s responsibilities under the Nuclear Waste Policy Act of 1982. During the reporting period the NWPO continued to work toward the five objectives designed to implement the Agency`s oversight responsibilities. (1) Assure that the health and safety of Nevada`s citizens are adequately protected with regard to any federal high-level radioactive waste program within the State. (2) Take the responsibilities and perform the duties of the State of Nevada as described in the Nuclear Waste Policy Act of 1982 (Public Law 97-425) and the Nuclear Waste Policy Amendments Act of 1987. (3) Advise the Governor, the State Commission on Nuclear Projects and the Nevada State Legislature on matters concerning the potential disposal of high-level radioactive waste in the State. (4) Work closely and consult with affected local governments and State agencies. (5) Monitor and evaluate federal planning and activities regarding high-level radioactive waste disposal. Plan and conduct independent State studies regarding the proposed repository.

  1. Quantum control spectroscopy of vibrational modes: Comparison of control scenarios for ground and excited states in {beta}-carotene

    Energy Technology Data Exchange (ETDEWEB)

    Hauer, Juergen; Buckup, Tiago [Fachbereich Chemie, Physikalische Chemie, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse, D-35043 Marburg (Germany); Motzkus, Marcus [Fachbereich Chemie, Physikalische Chemie, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse, D-35043 Marburg (Germany)], E-mail: motzkus@staff.uni-marburg.de

    2008-06-23

    Quantum control spectroscopy (QCS) is used as a tool to study, address selectively and enhance vibrational wavepacket motion in large solvated molecules. By contrasting the application of Fourier-limited and phase-modulated excitation on different electronic states, the interplay between the controllability of vibrational coherence and electronic resonance is revealed. We contrast control on electronic ground and excited state by introducing an additional pump beam prior to a DFWM-sequence (Pump-DFWM). Via phase modulation of this initial pump pulse, coherent control is extended to structural evolution on the vibrationally hot ground state (hot-S{sub 0}) and lowest lying excited state (S{sub 1}) of {beta}-carotene. In an open loop setup, the control scenarios for these different electronic states are compared in their effectiveness and mechanism.

  2. Bilayer Graphene: Interaction-Induced Quantum Hall States and Unusual Excitations

    Science.gov (United States)

    Sondhi, Shivaji; Abanin, D. A.; Parameswaran, S. A.

    2010-03-01

    Recently, new interaction-induced quantum Hall (QH) states were observedfootnotetextB. Feldman et al., Nature Physics, doi:10.1038/nphys1406 (2009); Y. Zhao et al., arXiv:0910.0217 (2009). in bilayer graphene (BG). In this talk we address the nature of these QH states, as well as their propertiesfootnotetextD. Abanin et al., Phys. Rev. Lett. 103, 076802 (2009), and to be published.. We focus on the ferromagnetic (FM) states at even filling factors, which, in the leading approximation, result from the spontaneous breaking of valley/spin SU(4) symmetry. Calculating microscopic anisotropies of the QHFM, we find the order in which Landau level (LL) degeneracies are lifted. Furthermore, we discuss the phase diagram of the system as a function of perpendicular electric field and parallel magnetic field, and find that they can be used to drive transitions between different QH states. We show that, as a result of unusual LL structure of BG, some of the QHFM states support new type of excitations -- spin/valley textures (skyrmions) that carry charge two, which provides a unique example of pairing of charges in a system with purely repulsive interactions. We propose several experiments to test our findings.

  3. Photophysics of trioxatriangulenium ion. Electrophilic reactivity in the ground state and excited singlet state

    DEFF Research Database (Denmark)

    Reynisson, J.; Wilbrandt, R.; Brinck, V.

    2002-01-01

    of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...

  4. Study of the superdeformed states of the gadolinium nuclei: neutron excitations in {sup 147}Gd nucleus; Etude des etats superdeformes de noyaux de Gadolinium: Excitations neutron dans le noyau {sup 147}Gd

    Energy Technology Data Exchange (ETDEWEB)

    Khadiri, Najia [Institut de Recherche Subatomique, CNRS-IN2P3 - Universite Louis Pasteur, 67 - Strasbourg (France)

    1997-10-17

    This work is devoted to nuclear structure studies of superdeformed states in the second potential well. Under focus are the gadolinium isotopes and in particular the {sup 147}Gd nucleus. High spin states in {sup 147}Gd have been populating by {sup 122}Sn ({sup 30}Si,5n){sup 147}Gd fusion-evaporation reaction with a silicon beam of 158 MeV delivered by the VIVITRON accelerator of the Institut de Recherches Subatomiques. The nucleus {gamma} de-excitations have been measured using the EUROGAM II {gamma}-ray multidetector. On the basis of multiple coincidences, four new superdeformed (SD) rotational bands have been assigned to {sup 147}Gd nucleus. Nuclear structures corresponding to these bands have been investigated by shell model calculations using a harmonic oscillator potential with cranking, in the Nilsson Strutinsky formalism. Comparison of dynamical moments of inertia of band (1) and (5) in {sup 147}Gd with {sup 148}Gd(2) and {sup 146}Gd(1) SD bands has fixed the role of the [651 1/2]{alpha} = -1/2 orbital crossing frequency. Theoretical calculations reproduce quite well the {sup 148}Gd(2), {sup 127}Gd(1,5) and G{sup 146}Gd(1) dynamical moments of inertia. Using the particle hole excitation nature of {sup 149,148,147,146}Gd bands, effective spin alignment of [651 1/2]{alpha}= {+-}1/2, [770 1/2]{alpha} = -1/2 and [441 1/2]{alpha} = +1/2 orbitals have been deduced from the experiment in agreement with the theoretical values. Of particular interest, the spin alignment measured for the [441 1/2]{alpha} +1/2 orbital, with a value close to zero, is in contradiction with the value predicted by the Pseudo SU(3) model, formalism often used to explain the identical band phenomenon. (author) 68 refs., 41 figs., 17 tabs.

  5. Excited-state behavior of tryptamine and related indoles. Remarkably efficient intramolecular proton-induced quenching

    Energy Technology Data Exchange (ETDEWEB)

    Shizuka, H.; Serizawa, M.; Kobayashi, H.; Kameta, K.; Sugiyama, H.; Matsuura, T.; Saito, I.

    1988-03-16

    The excited state behavior of tryptamine and 1,2,3,4-tetrahydrocarbazoles possessing alkylamino side chains in the absence and presence of 18-crown-6 in MeOH-H/sub 2/O (9:1) mixtures has been studied by means of nanosecond single-photon counting, fluorimetry, and photochemical H-D isotope exchange. The fluorescence intensity of these indoles increases significantly with increasing concentration of 18-crown-6. The relatively short lifetime of the tryptamine ammonium ion 1 is not ascribed to external quenching but rather to internal quenching. The rate constant k/sub q/ for internal quenching can be estimated from the equation k/sub q/ = tau/sub 0//sup -1/ - tau/sub max//sup -1/, where tau/sub 0/ and tau/sub max/ represent the fluorescence lifetimes for free 1 and the 1:1 1-crown ether complex, respectively. Internal quenching originates from electrophilic proton attack by the -N/sup +/H/sub 3/ (or -N/sup +/D/sub 3/) group of 1 at the C-4 position of the excited indole ring. For 3 (the tetrahydrocarbazole derivative R(CH/sub 2/)/sub 3/N/sup +/H/sub 3/) the k/sub q/ value comprises the electrophilic proton attack at the C-8 position plus other quenching (probably charge-transfer quenching) between the excited indole moiety (R*) and the -N/sup +/H/sub 3/ (or -N/sup +/D/sub 3/) group. The stabilization constant K/sub g/ for the corresponding ammonium ion and 18-crown-6 can be determined by fluorimetry. The kinetic and thermodynamic parameters for the internal quenching and the complex formation, respectively, have been described.

  6. Development and implementation of theoretical methods for the description of electronically core-excited states

    Energy Technology Data Exchange (ETDEWEB)

    Wenzel, Jan

    2016-03-23

    My PhD project mainly consists of two important parts. One was to enhance and develop variants of the core-valence-separation-algebraic-diagrammatic-construction (CVS-ADC) method and implement all approaches efficiently in the adcman program, which is part of the Q-chem program package. Secondly, I benchmarked these implementations and simulated X-ray absorption spectra of small- and medium-sized molecules from different fields. In this thesis, I present my implementations, as well as the results and applications obtained with the CVS-ADC methods and give a general introduction into quantum chemical methods. At first, I implemented the CVS-ADC approach up to the extended second in an efficient way. The program is able to deal with systems up to 500 basis functions in an adequate computational time, which allows for accurate calculations of medium-sized closed-shell molecules, e.g. acenaphthenequinone (ANQ). Afterwards, the CVS-ADC implementation was extended for the first time to deal with open-shell systems, i.e. ions and radicals, which implies a treatment of unrestricted wave functions and spin-orbitals. The resulting method is denoted as CVS-UADC(2)-x. For the first time, I applied the CVS approximation to the the third order ADC scheme, derived the working equations, and implemented the CVS-ADC(3) method in adcman. As the last step, I applied the CVS formalism for the first time to the ISR approach to enable calculations of core-excited state properties and densities. To benchmark all restricted and unrestricted CVS-ADC/CVS-ISR methods up to third order in perturbation theory, I chose a set of small molecules, e.g. carbon monoxide (CO). The calculated values of core-excitation energies, transition moments and static dipole moments are compared with experimental data or other approaches, thereby estimating complete basis set (CBS) limits. Furthermore, a comprehensive study of different basis sets is performed. In combination with the CBS limit of the aug

  7. Theoretical Assessment of 178m2Hf De-Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Hartouni, E P; Chen, M; Descalle, M A; Escher, J E; Loshak, A; Navratil, P; Ormand, W E; Pruet, J; Thompson, I J; Wang, T F

    2008-10-06

    This document contains a comprehensive literature review in support of the theoretical assessment of the {sup 178m2}Hf de-excitation, as well as a rigorous description of controlled energy release from an isomeric nuclear state.

  8. Analytic model for low energy excitation states and phase transitions in spin-ice systems

    Science.gov (United States)

    López-Bara, F. I.; López-Aguilar, F.

    2017-04-01

    Low energy excitation states in magnetic structures of the so-called spin-ices are produced via spin flips among contiguous tetrahedra of their crystal structure. These spin flips generate entities which mimic magnetic dipoles in every two tetrahedra according to the dumbbell model. When the temperature increases, the spin-flip processes are transmitted in the lattice, generating so-called Dirac strings, which constitute structural entities that can present mimetic behavior similar to that of magnetic monopoles. In recent studies of both specific heat and ac magnetic susceptibility, two (even possibly three) phases have been shown to vary the temperature. The first of these phases presents a sharp peak in the specific heat and another phase transition occurs for increasing temperature whose peak is broader than that of the former phase. The sharp peak occurs when there are no free individual magnetic charges and temperature of the second phase transition coincides with the maximum proliferation of free deconfined magnetic charges. In the present paper, we propose a model for analyzing the low energy excitation many-body states of these spin-ice systems. We give analytical formulas for the internal energy, specific heat, entropy and their temperature evolution. We study the description of the possible global states via the nature and structure of their one-body components by means of the thermodynamic functions. Below 0.37 K, the Coulomb-like magnetic charge interaction can generate a phase transition to a condensation of pole-antipole pairs, possibly having Bose-Einstein structure which is responsible for the sharp peak of the first phase transition. When there are sufficient free positive and negative charges, the system tends to behave as a magnetic plasma, which implies the broader peak in the specific heat appearing at higher temperature than the sharper experimental peak.

  9. Analytic model for low energy excitation states and phase transitions in spin-ice systems.

    Science.gov (United States)

    López-Bara, F I; López-Aguilar, F

    2017-04-20

    Low energy excitation states in magnetic structures of the so-called spin-ices are produced via spin flips among contiguous tetrahedra of their crystal structure. These spin flips generate entities which mimic magnetic dipoles in every two tetrahedra according to the dumbbell model. When the temperature increases, the spin-flip processes are transmitted in the lattice, generating so-called Dirac strings, which constitute structural entities that can present mimetic behavior similar to that of magnetic monopoles. In recent studies of both specific heat and ac magnetic susceptibility, two (even possibly three) phases have been shown to vary the temperature. The first of these phases presents a sharp peak in the specific heat and another phase transition occurs for increasing temperature whose peak is broader than that of the former phase. The sharp peak occurs when there are no free individual magnetic charges and temperature of the second phase transition coincides with the maximum proliferation of free deconfined magnetic charges. In the present paper, we propose a model for analyzing the low energy excitation many-body states of these spin-ice systems. We give analytical formulas for the internal energy, specific heat, entropy and their temperature evolution. We study the description of the possible global states via the nature and structure of their one-body components by means of the thermodynamic functions. Below 0.37 K, the Coulomb-like magnetic charge interaction can generate a phase transition to a condensation of pole-antipole pairs, possibly having Bose-Einstein structure which is responsible for the sharp peak of the first phase transition. When there are sufficient free positive and negative charges, the system tends to behave as a magnetic plasma, which implies the broader peak in the specific heat appearing at higher temperature than the sharper experimental peak.

  10. Prototropic studies in vitreous and in solid phases: Pyranine and 2-naphthol excited state proton transfer

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Fátima Aparecida das Chagas [Departamento de Química Fundamental, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, SP (Brazil); Rezende, Eduardo Triboni [Universidade Nove de Julho, São Paulo, SP (Brazil); Filho, Décio Briotto [Departamento de Bioquímica Instituto de Química, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, SP (Brazil); Brito Rezende, Daisy de [Departamento de Química Fundamental, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, SP (Brazil); Cuccovia, Iolanda Midea [Departamento de Bioquímica Instituto de Química, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, SP (Brazil); Gome, Ligia Ferreira [Departamento de Análises Clínicas, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, SP (Brazil); Silva, Mauro Francisco Pinheiro da [Departamento de Química Fundamental, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, SP (Brazil); and others

    2014-02-15

    Excited state proton transfer processes in vitreous glasses and in solid mixtures are investigated by steady state fluorimetry and laser flash photolysis kinetic studies with the photoacids pyranine and 2-naphthol. Glasses were derived from TEOS by the sol–gel condensation process and hydrated solid mixtures from NaCl or KH{sub 2}PO{sub 4}/K{sub 2}HPO{sub 4} crystals. The extent of the water content necessary for the reaction is determined. Shrinkage of TEOS derived monoliths from water loss leads to an increase in proton transfer extent due to the increase in local concentrations of accepting and donor buffer species, but the concomitant increase in the ionic strength actuates in an opposite direction. Furthermore, water losses by aging of air-exposed gel goes to a critical 20% weight fraction, beyond it proton transfer reactions are hindered. Similar studies with solid NaCl or solid phosphate buffer mixtures demonstrated the same critical water level indicating that free water molecules are crucial for the proton to escape from the original cage where the geminate ion pair [–||RO{sup −⁎}H{sup +}||–] is formed and can undergo coupled proton transfer reactions. -- Highlights: • Pyranine and 2-naphthol excited state proton transfer in SiO{sub 2} gel, solid phosphate buffer and NaCl. • Sol–gel formation leads to contraction and concentration of donor and accepting species. • 20% weight fraction water is required for the ESPT to go forward.

  11. Proton-hole and core-excited states in the semi-magic nucleus 131In82

    Energy Technology Data Exchange (ETDEWEB)

    Taprogge, J.; Jungclaus, A.; Grawe, H.; Borzov, I. N.; Nishimura, S.; Doornenbal, P.; Lorusso, G.; Simpson, G. S.; Söderström, P. -A.; Sumikama, T.; Xu, Z. Y.; Baba, H.; Browne, F.; Fukuda, N.; Gernhäuser, R.; Gey, G.; Inabe, N.; Isobe, T.; Jung, H. S.; Kameda, D.; Kim, G. D.; Kim, Y. -K.; Kojouharov, I.; Kubo, T.; Kurz, N.; Kwon, Y. K.; Li, Z.; Sakurai, H.; Schaffner, H.; Shimizu, Y.; Steiger, K.; Suzuki, H.; Takeda, H.; Vajta, Zs.; Watanabe, H.; Wu, J.; Yagi, A.; Yoshinaga, K.; Benzoni, G.; Bönig, S.; Chae, K. Y.; Coraggio, L.; Daugas, J. -M.; Drouet, F.; Gadea, A.; Gargano, A.; Ilieva, S.; Itaco, N.; Kondev, F. G.; Kröll, T.; Lane, G. J.; Montaner-Pizá, A.; Moschner, K.; Mücher, D.; Naqvi, F.; Niikura, M.; Nishibata, H.; Odahara, A.; Orlandi, R.; Patel, Z.; Podolyák, Zs.; Wendt, A.

    2016-11-01

    The decay of the N = 83 nucleus Cd-131 has been studied at the RIBF facility at the RIKEN Nishina Center. The main purpose of the study was to identify the position of the and proton-hole states and the energies of core-excited configurations in the semi-magic nucleus In-131. From the radiation emitted following the decay, a level scheme of In-131 was established and the feeding to each excited state determined. Similarities between the single-particle transitions observed in the decays of the N = 83 isotones In-132 and Cd-131 are discussed. Finally the excitation energies of several core-excited configurations in In-131 are compared to QRPA and shell-model calculations.

  12. Proton-hole and core-excited states in the semi-magic nucleus {sup 131}In{sub 82}

    Energy Technology Data Exchange (ETDEWEB)

    Taprogge, J. [Instituto de Estructura de la Materia, CSIC, Madrid (Spain); Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain); RIKEN Nishina Center, RIKEN, Saitama (Japan); Jungclaus, A. [Instituto de Estructura de la Materia, CSIC, Madrid (Spain); Grawe, H. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Borzov, I.N. [Kurchatov Institute, Moscow (Russian Federation); Joint Institute for Nuclear Research, Dubna (Russian Federation); Nishimura, S.; Doornenbal, P.; Soederstroem, P.A.; Baba, H.; Fukuda, N.; Inabe, N.; Isobe, T.; Kameda, D.; Kubo, T.; Shimizu, Y.; Suzuki, H.; Takeda, H.; Watanabe, H. [RIKEN Nishina Center, RIKEN, Saitama (Japan); Lorusso, G. [RIKEN Nishina Center, RIKEN, Saitama (Japan); National Physical Laboratory, NPL, Teddington, Middlesex (United Kingdom); University of Surrey, Department of Physics, Guildford (United Kingdom); Simpson, G.S.; Drouet, F. [LPSC, Universite Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, Grenoble Cedex (France); Sumikama, T. [Tohoku University, Department of Physics, Sendai, Miyagi (Japan); Xu, Z.Y.; Niikura, M. [University of Tokyo, Department of Physics, Tokyo (Japan); Browne, F. [RIKEN Nishina Center, RIKEN, Saitama (Japan); University of Brighton, School of Computing, Engineering and Mathematics, Brighton (United Kingdom); Gernhaeuser, R.; Steiger, K.; Muecher, D. [Technische Universitaet Muenchen, Physik Department E12, Garching (Germany); Gey, G. [RIKEN Nishina Center, RIKEN, Saitama (Japan); LPSC, Universite Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, Grenoble Cedex (France); Institut Laue-Langevin, B.P. 156, Grenoble Cedex 9 (France); Jung, H.S. [Chung-Ang University, Department of Physics, Seoul (Korea, Republic of); Kim, G.D.; Kwon, Y.K. [Institute for Basic Science, Rare Isotope Science Project, Daejeon (Korea, Republic of); Kim, Y.K. [Institute for Basic Science, Rare Isotope Science Project, Daejeon (Korea, Republic of); Hanyang University, Department of Nuclear Engineering, Seoul (Korea, Republic of); Kojouharov, I.; Kurz, N.; Schaffner, H. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Li, Z. [Peking University, School of Physics and State key Laboratory of Nuclear Physics and Technology, Beijing (China); Sakurai, H. [RIKEN Nishina Center, RIKEN, Saitama (Japan); University of Tokyo, Department of Physics, Tokyo (Japan); Vajta, Zs. [RIKEN Nishina Center, RIKEN, Saitama (Japan); MTA Atomki, P.O. Box 51, Debrecen (Hungary); Wu, J. [RIKEN Nishina Center, RIKEN, Saitama (Japan); Peking University, School of Physics and State key Laboratory of Nuclear Physics and Technology, Beijing (China); Yagi, A.; Nishibata, H.; Odahara, A. [Osaka University, Department of Physics, Toyonaka (Japan); Yoshinaga, K. [Tokyo University of Science, Department of Physics, Faculty of Science and Technology, Noda, Chiba (Japan); Benzoni, G. [INFN, Sezione di Milano, Milano (Italy); Boenig, S.; Ilieva, S.; Kroell, T. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Chae, K.Y. [Sungkyunkwan University, Department of Physics, Suwon (Korea, Republic of); Coraggio, L.; Gargano, A. [Complesso Universitario di Monte S. Angelo, Istituto Nazionale di Fisica Nucleare, Napoli (Italy); Daugas, J.M. [CEA, DAM, DIF, Arpajon cedex (France); Gadea, A.; Montaner-Piza, A. [CSIC-Univ. of Valencia, Instituto de Fisica Corpuscular, Paterna (Spain); Itaco, N. [Seconda Universita di Napoli, Dipartimento di Matematica e Fisica, Caserta (Italy); Kondev, F.G. [Argonne National Laboratory, Nuclear Engineering Division, Argonne, IL (United States); Lane, G.J. [Australian National University, Department of Nuclear Physics, Research School of Physical Sciences and Engineering, Canberra (Australia); Moschner, K.; Wendt, A. [University of Cologne, IKP, Cologne (Germany); Naqvi, F. [Yale University, Wright Nuclear Structure Laboratory, New Haven, CT (United States); Orlandi, R. [K.U. Leuven, Instituut voor Kern- en StralingsFysica, Heverlee (Belgium); Japan Atomic Energy Agency, Advanced Science Research Center, Tokai, Ibaraki (Japan); Patel, Z.; Podolyak, Zs. [University of Surrey, Department of Physics, Guildford (United Kingdom)

    2016-11-15

    The β decay of the N = 83 nucleus {sup 131}Cd has been studied at the RIBF facility at the RIKEN Nishina Center. The main purpose of the study was to identify the position of the 1p{sub 3/2} and 0f{sub 5/2} proton-hole states and the energies of core-excited configurations in the semi-magic nucleus {sup 131}In. From the radiation emitted following the β decay, a level scheme of {sup 131}In was established and the β feeding to each excited state determined. Similarities between the single-particle transitions observed in the β decays of the N = 83 isotones {sup 132}In and {sup 131}Cd are discussed. Finally the excitation energies of several core-excited configurations in {sup 131}In are compared to QRPA and shell-model calculations. (orig.)

  13. Coulomb Excitation of a Neutron-Rich $^{88}$Kr Beam Search for Mixed Symmetry States

    CERN Document Server

    Andreoiu, C; Napiorkowski, P J; Iwanicki, J S

    2002-01-01

    We propose to use the ISOLDE/REX/MINIBALL/CD set-up to perform a Coulomb Excitation experiment with a $^{88}$Kr radioactive beam. The motivation includes a search for $Mixed$ $Symmetry$ states predicted by the IBM-2 model, gathering more spectroscopy data about the $^{88}$Kr nucleus and extending shape coexistence studies (performed previously by the proposers for neutron-deficient Kr isotopes) to the neutron-rich side. The proposed experiment will provide data complementary to the Coulomb Excitation of a relativistic $^{88}$Kr beam proposed by D. Tonev et al. for a RISING experiment. A total of 12 days of beam time is necessary for the experiment, equally divided into two runs. One run with a 2.2 MeV/A beam energy on a $^{48}$Ti target and a second run with the maximum available REX energy of 3.1 MeV/A on a $^{208}$Pb target are requested. Using either a UC$_{x}$ or ThC$_{x}$ fissioning primary target coupled with a plasma source by a cooled transfer line seems to be the best choice for the proposed experime...

  14. An experimental and theoretical investigation into the excited electronic states of phenol

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B.; Chiari, L. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Lopes, M. C. A. [Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

    2014-08-21

    We present experimental electron-energy loss spectra (EELS) that were measured at impact energies of 20 and 30 eV and at angles of 90° and 10°, respectively, with energy resolution ∼70 meV. EELS for 250 eV incident electron energy over a range of angles between 3° and 50° have also been measured at a moderate energy resolution (∼0.9 eV). The latter spectra were used to derive differential cross sections and generalised oscillator strengths (GOS) for the dipole-allowed electronic transitions, through normalization to data for elastic electron scattering from benzene. Theoretical calculations were performed using time-dependent density functional theory and single-excitation configuration interaction methods. These calculations were used to assign the experimentally measured spectra. Calculated optical oscillator strengths were also compared to those derived from the GOS data. This provides the first investigation of all singlet and triplet excited electronic states of phenol up to the first ionization potential.

  15. Dynamics of charge-transfer excited states relevant to photochemical energy conversion. Progress report, June 1, 1991--November 15, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Lim, E.C.

    1991-11-01

    The primary objective of the research program is to gain a fundamental understanding of the factors governing the efficiency of excited-state charge transfer CT interactions between two chromophores that are brought together in close proximity, either by a very short covalent linkage or by ground-state complex formation. CT and van der Walls (vdW), interactions in covalently bonded bichromophoric compounds in condensed phase, as well as those in vdW complexes in supersonic jets, are being investigated using laser-based techniques under a variety of experimental conditions. This progress report is divided into three parts, according to the class of molecular systems and the phase (liquid vs. gas) in which the excited-state interactions are probed. The first is concerned with the excited states of bridged diaryl compounds in the condensed phase. The second involves the excited states of vdW complexes in supersonic jets. Finally, the third, is concerned with the excited states of electron donor-acceptor (EDA) systems in both the condensed phase and supersonic jets. In each of these studies, we are concerned with the interchromophore interactions ranging from weak vdW forces to strong CT forces, and the factors determining whether the interaction forces are weak or strong in related molecules.

  16. Capturing Invisible Motions in the Transition from Ground to Rare Excited States of T4 Lysozyme L99A.

    Science.gov (United States)

    Schiffer, Jamie M; Feher, Victoria A; Malmstrom, Robert D; Sida, Roxana; Amaro, Rommie E

    2016-10-18

    Proteins commonly sample a number of conformational states to carry out their biological function, often requiring transitions from the ground state to higher-energy states. Characterizing the mechanisms that guide these transitions at the atomic level promises to impact our understanding of functional protein dynamics and energy landscapes. The leucine-99-to-alanine (L99A) mutant of T4 lysozyme is a model system that has an experimentally well characterized excited sparsely populated state as well as a ground state. Despite the exhaustive study of L99A protein dynamics, the conformational changes that permit transitioning to the experimentally detected excited state (∼3%, ΔG ∼2 kcal/mol) remain unclear. Here, we describe the transitions from the ground state to this sparsely populated excited state of L99A as observed through a single molecular dynamics (MD) trajectory on the Anton supercomputer. Aside from detailing the ground-to-excited-state transition, the trajectory samples multiple metastates and an intermediate state en route to the excited state. Dynamic motions between these states enable cavity surface openings large enough to admit benzene on timescales congruent with known rates for benzene binding. Thus, these fluctuations between rare protein states provide an atomic description of the concerted motions that illuminate potential path(s) for ligand binding. These results reveal, to our knowledge, a new level of complexity in the dynamics of buried cavities and their role in creating mobile defects that affect protein dynamics and ligand binding. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  17. Theoretical Studies of Possible Synthetic Routes for the High Energy Density Material Td N4: Excited Electronic States

    Science.gov (United States)

    Lee, Timothy J.; Dateo, Christopher E.

    2001-01-01

    Vertical electronic excitation energies for single states have been computed for the high energy density material (HEDM) Td N4 in order to assess possible synthetic routes that originate from excited electronic states of N2 molecules. Several ab initio theoretical approaches have been used, including complete active space self-consistent field (CASSCF), state averaged CASSCF (SA-CASSCF), singles configuration interaction (CIS), CIS with second-order and third-order correlation corrections [CIS(D)) and CIS(3)], and linear response singles and doubles coupled-cluster (LRCCSD), which is the highest level of theory employed. Standard double zeta polarized (DZP) and triple zeta double polarized (TZ2P) one-particle basis sets were used. The CASSCF calculations are found to overestimate the excitation energies, while the SA-CASSCF approach rectifies this error to some extent, but not completely. The accuracy of the CIS calculations varied depending on the particular state, while the CIS(D), CIS(3), and LRCCSD results are in generally good agreement. Based on the LRCCSD calculations, the lowest six excited singlet states are 9.35(l(sup)T1), 10.01(l(sup)T2), 10.04(1(sup)A2), 10.07(1(sup)E), 10.12(2(sup)T1), and 10.42(2(sup)T2) eV above the ground state, respectively. Comparison of these excited state energies with the energies of possible excited states of N2+N2 fragments, leads us to propose that the most likely synthetic route for Td N4 involving this mechanism arises from combination of two bound quintet states of N2.

  18. The reactions of ground and excited state sodium atoms with hydrogen halide molecules

    Science.gov (United States)

    Weiss, P. S.; Mestdagh, J. M.; Covinsky, M. H.; Balko, B. A.; Lee, Y. T.

    1988-10-01

    The reactions of ground and excited state Na atoms with hydrogen halide (HX) molecules have been studied using the crossed molecular beams method. With both increasing translational and increasing electronic energy, the reactive cross sections increase in the reactions of HCl and HBr. From product angular and velocity distributions detailed center-of-mass information is derived. For the reactions of Na (3 2S 1/2, 3 2P 1/2, 4 2D 5/2, 5 2S 1/2) with HCl, the product NaCl is back-scattered with respect to the incoming Na atom in the center-of-mass frame of reference. The reaction of each Na state studied with HCl is direct and proceeds via collinear and near-collinear Na-Cl-H approach geometries. For the Na (3 2P 3/2) and Na (4 2D 5/2) reactions with HCl the predominant transition state symmetry is 2Σ in a collinear (C ∞ν) Na-Cl-H geometry. This is consistent with the reaction proceeding via electron transfer from the Na atom to the halide atom. Absolute reactive cross sections for each state of Na studied with HCl were determined by comparison with both small and large angle elastic scattering. We were unable to observe Na atoms with over 4 eV of electronic energy react with HF up to collision energies of 13 kcal/mole.

  19. Rydberg and valence state excitation dynamics: a velocity map imaging study involving the E-V state interaction in HBr.

    Science.gov (United States)

    Zaouris, Dimitris; Kartakoullis, Andreas; Glodic, Pavle; Samartzis, Peter C; Rafn Hróðmarsson, Helgi; Kvaran, Ágúst

    2015-04-28

    Photoexcitation dynamics of the E((1)Σ(+)) (v' = 0) Rydberg state and the V((1)Σ(+)) (v') ion-pair vibrational states of HBr are investigated by velocity map imaging (VMI). H(+) photoions, produced through a number of vibrational and rotational levels of the two states were imaged and kinetic energy release (KER) and angular distributions were extracted from the data. In agreement with previous work, we found the photodissociation channels forming H*(n = 2) + Br((2)P3/2)/Br*((2)P1/2) to be dominant. Autoionization pathways leading to H(+) + Br((2)P3/2)/Br*((2)P1/2) via either HBr(+)((2)Π3/2) or HBr(+)*((2)Π1/2) formation were also present. The analysis of KER and angular distributions and comparison with rotationally and mass resolved resonance enhanced multiphoton ionization (REMPI) spectra revealed the excitation transition mechanisms and characteristics of states involved as well as the involvement of the E-V state interactions and their v' and J' dependence.

  20. Renormalized energy of ground and first excited state of Fröhlich polaron in the range of weak coupling

    Directory of Open Access Journals (Sweden)

    M.V. Tkach

    2015-09-01

    Full Text Available The partial summing of infinite range of diagrams for the two-phonon mass operator of polaron described by Frohlich Hamiltonian is performed using the Feynman-Pines diagram technique. The renormalized spectral parameters of ground and first excited (phonon repeat polaron state are accurately calculated for the weak electron-phonon coupling at T=0 K. It is shown that the stronger electron-phonon interaction shifts the energy of both states into low-energy region of the spectra. The ground state stays stationary and the excited one - decays at bigger coupling constant.

  1. Group excitation control of generators in state regional electric power plant transformer station automatic control systems

    Energy Technology Data Exchange (ETDEWEB)

    Gumin, M.I.; Rosman, L.V.; Tarnavskii, V.M.

    1983-01-01

    Group excitation control of electric generators according to standard methods is essential for the management of power plant conditions according to voltage and reactive power. A system is described that provides coordinated changes in the automatic excitation controller set point for generators that operate on common buses. The advantages of the excitation control system are discussed.

  2. Photoionization cross section measurements of the excited states of cobalt in the near-threshold region

    Directory of Open Access Journals (Sweden)

    Xianfeng Zheng

    2014-10-01

    Full Text Available We present measurements of photoionization cross-sections of the excited states of cobalt using a two-color, two-step resonance ionization technique in conjunction with a molecular beam time of flight (TOF mass spectrometer. The atoms were produced by the laser vaporization of a cobalt rod, coupled with a supersonic gas jet. The absolute photoionization cross-sections at threshold and near-threshold regions (0-1.2 eV were measured, and the measured values ranged from 4.2±0.7 Mb to 10.5±1.8 Mb. The lifetimes of four odd parity energy levels are reported for the first time.

  3. On the ground and excited state of glycine-glutaric acid: A new organic material

    Science.gov (United States)

    Shkir, Mohd.; Abbas, Haider

    In current work, the experimental and theoretical investigation on glycine-glutaric acid (GGA) has been reported. Single crystals of GGA were grown by slow evaporation solution technique in an aqueous solution. Crystal structure and lattice parameters of GGA were confirmed by powder X-ray diffraction analysis. The ground and excited state properties of GGA were obtained within the framework of density functional theory. The calculated infrared spectrum and the S0 → S1 transition energy were compared with the earlier reported experimental results and found in good agreement. HOMO-LUMO energy gap was calculated by using RHF/6-31G(d,p) and B3LYP/6-31G(d,p) level of theoretical calculations. Dipole moment of GGA obtained by RHF and B3LYP was found 11.84 and 10.87 D respectively.

  4. Coherent excitation transferring via dark state in light-harvesting process

    CERN Document Server

    Dong, H; Sun, C P

    2011-01-01

    We study the light absorption and energy transferring in a donor-acceptor system with a bionic structure. In the optimal case with uniform couplings, it is found that the quantum dynamics of this seemingly complicated system is reduced as a three-level system of $\\Lambda$-type. With this observation, we show that the dark state based electromagnetically-induced transparency (EIT) effect could enhance the energy transfer efficiency, through a quantum interference effect suppressing the excited population of the donors. We estimate the optimal parameters of the system to achieve the maximum output power. The splitting behavior of maximum power may be used to explain the phenomenon that the photosynthesis systems mainly absorb two colors of light.

  5. Analysis of excited-state Faraday anomalous dispersion optical filter at 1529 nm.

    Science.gov (United States)

    Xiong, Junyu; Yin, Longfei; Luo, Bin; Guo, Hong

    2016-06-27

    In this work, a detailed theoretical analysis of 1529 nm ES-FADOF (excited state Faraday anomalous dispersion optical filter) based on rubidium atoms pumped by 780 nm laser is introduced, where Zeeman splitting, Doppler broadening, and relaxation processes are considered. Experimental results are carefully compared with the derivation. The results prove that the optimal pumping frequency is affected by the working magnetic field. The population distribution among all hyperfine Zeeman sublevels under the optimal pumping frequency has also been obtained, which shows that 85Rb atoms are the main contribution to the population. The peak transmittance above 90% is obtained, which is in accordance with the experiment. The calculation also shows that the asymmetric spectra observed in the experiment are caused by the unbalanced population distribution among Zeeman sublevels. This theoretical model can be used for all kinds of calculations for FADOF.

  6. Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

    Science.gov (United States)

    Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao

    2017-09-21

    To describe static correlation, we develop a new approach to density functional theory (DFT), which uses a generalized auxiliary system that is of a different symmetry, such as particle number or spin, from that of the physical system. The total energy of the physical system consists of two parts: the energy of the auxiliary system, which is determined with a chosen density functional approximation (DFA), and the excitation energy from an approximate linear response theory that restores the symmetry to that of the physical system, thus rigorously leading to a multideterminant description of the physical system. The electron density of the physical system is different from that of the auxiliary system and is uniquely determined from the functional derivative of the total energy with respect to the external potential. Our energy functional is thus an implicit functional of the physical system density, but an explicit functional of the auxiliary system density. We show that the total energy minimum and stationary states, describing the ground and excited states of the physical system, can be obtained by a self-consistent optimization with respect to the explicit variable, the generalized Kohn-Sham noninteracting density matrix. We have developed the generalized optimized effective potential method for the self-consistent optimization. Among options of the auxiliary system and the associated linear response theory, reformulated versions of the particle-particle random phase approximation (pp-RPA) and the spin-flip time-dependent density functional theory (SF-TDDFT) are selected for illustration of principle. Numerical results show that our multireference DFT successfully describes static correlation in bond dissociation and double bond rotation.

  7. Measurement of Polarization Observables in the Electro-Excitation of the Proton to its First Excited State

    Energy Technology Data Exchange (ETDEWEB)

    Roche, Rikki [Florida State Univ., Tallahassee, FL (United States)

    2003-08-01

    This thesis reports results from the Thomas Jefferson National Accelerator Facility (Jefferson Lab) Hall A experiment E91-011, which measured double-polarization observables in the pion electroproduction reaction from the proton. Specifically, the experiment measured the recoil proton polarization, polarized response functions, and cross section for the p($\\vec{e}$, e' $\\vec{p}$) π° reaction at a center-of-mass energy centered at W = 1232 MeV--the peak of the Δ(1232) resonance--and at a four-momentum transfer squared of Q2 = 1.0 GeV2/c2. Both the recoil proton polarization and polarized response function results will be presented in this thesis. Data were collected at Jefferson Lab, located in Newport News, Virginia during the summer of 2000. A 4.53 GeV polarized electron beam was scattered off of a cryogenic hydrogen target. The recoil proton polarization was measured in the Focal Plane Polarimeter (FPP), located in one of the two High Resolution Spectrometers (HRS) in Hall A. A maximum likelihood method was used to determine the polarized response functions directly from the measured polarizations and cross sections. A simultaneous fit of the cross sections, the recoil proton polarizations, and angular distributions of the polarized response functions will provide a determination of individual multipole amplitudes. Some of these multipole amplitudes are related to the concept of proton deformation. Both the recoil proton polarizations and polarized response functions were compared to two phenomenological models: MAID and SAID, which have all free parameters fixed, based on fits to previous world data. The measured helicity dependent observables, which are dominated by imaginary parts of Δ(1232)-resonance excitation multipole amplitudes, agree very well with the two models. The measured helicity independent observables, which are dominated by real parts of background multipole amplitudes, do not agree completely with

  8. Quantum entanglement analysis of an optically excited coupling of two nuclear spins via a mediator: Combining the quantum concurrence and negativity

    Science.gov (United States)

    Fu, Chenghua; Hu, Zhanning

    2018-03-01

    In this paper, we investigate the characteristics of the nuclear spin entanglement generated by an intermedium with an optically excited triplet. Significantly, the interaction between the two nuclear spins presents to be a direct XY coupling in each of the effective subspace Hamiltonians which are obtained by applying a transformation on the natural Hamiltonian. The quantum concurrence and negativity are discussed to quantitatively describe the quantum entanglement, and a comparison between them can reveal the nature of their relationship. An innovative general equation describing the relationship between the concurrence and negativity is explicitly obtained.

  9. Temperature effect on first excited state energy and transition frequency of a strong-coupling polaron in a symmetry RbCl quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yong; Ding, Zhao-Hua; Xiao, Jing-Lin, E-mail: xiaojlin@126.com

    2014-07-01

    The first excited state energy, excitation energy and transition frequency of a strong-coupling polaron in a symmetric RbCl quantum dot (SRQD) are obtained by employing the linear combination operator and unitary transformation methods. Effects of temperature and confinement strength are taken into account. It is found that the first excited state energy, excitation energy and transition frequency are increasing functions of temperature and confinement strength.

  10. Temperature effect on first excited state energy and transition frequency of a strong-coupling polaron in a symmetry RbCl quantum dot

    Science.gov (United States)

    Sun, Yong; Ding, Zhao-Hua; Xiao, Jing-Lin

    The first excited state energy, excitation energy and transition frequency of a strong-coupling polaron in a symmetric RbCl quantum dot (SRQD) are obtained by employing the linear combination operator and unitary transformation methods. Effects of temperature and confinement strength are taken into account. It is found that the first excited state energy, excitation energy and transition frequency are increasing functions of temperature and confinement strength.

  11. A study of the fluorescence of the rare gases excited by nuclear particles. Use of the principle for the detection of nuclear radiation by scintillation; Etude de la fluorescence des gaz rares excites par des particules nucleaires. Utilisation pour la detection des rayonnements nucleaires par scintillation

    Energy Technology Data Exchange (ETDEWEB)

    Koch, L. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1959-12-15

    In the first part is studied the properties of atoms excited by the passage of {alpha} particles through the various rare gases at atmospheric pressure. A spectral analysis of the emitted light showed that certain impurities play an important part in producing the fluorescence, and it has led to the conclusion that the light emission contains at least two components - one very short - lived due to the direct deexcitation of the rare gas, the other relatively slower due to the energy transfers to the impurity. The measurement of the life-time of the excited states has confirmed this foregoing hypothesis, the rapid part of the impulse is extremely short: less than 2,25.10{sup -9} s in the case of xenon; the slower part has a life-time depending directly on the nitrogen concentration, nitrogen being the impurity giving the largest effect in all cases. The study of rare gases under the influence of an electric field has made it possible to show that the amount of light produced by an {alpha} particle can be multiplied (by 60, for example, in a field of 600 V:cm) so that the luminescent efficiency is greater than in the case of INaTI. In the second part the characteristics of the rare gases acting as scintillators is examined, the most important property being the absence of fluorescence saturation when the intensity of the excitation incident on the gas is very large. This, together with the very short time of scintillation has made it possible to study a certain number of nuclear physical applications (heavy particle energy-measurements, kinetic studies on nuclear reactors, neutron spectroscopy). (author) [French] On etudie dans la premiere partie les proprietes des atomes excites par le passage de particules {alpha} dans les differents gaz rares a la pression atmospherique. L'etude spectrale de la lumiere emise a montre que certaines impuretes jouent un role considerable dans la fluorescence et on a ete amene a penser que l'emission de lumiere comporte au

  12. Excitation of the lowest CO2 vibrational states by electrons in hypersonic boundary layers

    Science.gov (United States)

    Armenise, I.

    2017-07-01

    The state-to-state vibrational kinetics of a CO2/O2/CO/C/O/e- mixture in a hypersonic boundary layer under conditions compatible with the Mars re-entry is studied. The model adopted treats three CO2 modes (the two degenerated bending modes are approximated as a unique one) as not independent ones. Vibrational-translational transitions in the bending mode, inter-mode exchanges within CO2 molecule and between molecules of different chemical species as well as dissociation-recombination reactions are considered. Attention is paid to the electron-CO2 collisions that cause transitions from the ground vibrational state, CO2(0,0,0), to the first excited ones, CO2(1,0,0), CO2(0,1,0) and CO2(0,0,1). The corresponding processes rate coefficients are obtained starting from the electron energy distribution function, calculated either as an equilibrium Boltzmann distribution at the local temperature or by solving the Boltzmann equation. Results obtained either neglecting or including in the kinetic scheme the electron-CO2 collisions are compared and explained by analysing the rate coefficients of the electron-CO2 collisions.

  13. Bimolecular Excited-State Electron Transfer with Surprisingly Long-Lived Radical Ions

    KAUST Repository

    Alsam, Amani Abdu

    2015-09-02

    We explored the excited-state interactions of bimolecular, non-covalent systems consisting of cationic poly[(9,9-di(3,3’-N,N’-trimethyl-ammonium) propyl fluorenyl-2,7-diyl)-alt-co-(9,9-dioctyl-fluorenyl-2,7-diyl)] diiodide salt (PFN) and 1,4-dicyanobenzene (DCB) using steady-state and time-resolved techniques, including femto- and nanosecond transient absorption and femtosecond infrared spectroscopies with broadband capabilities. The experimental results demonstrated that photo-induced electron transfer from PFN to DCB occurs on the picosecond time scale, leading to the formation of PFN+• and DCB-• radical ions. Interestingly, real-time observations of the vibrational marker modes on the acceptor side provided direct evidence and insight into the electron transfer process indirectly inferred from UV-Vis experiments. The band narrowing on the picosecond time scale observed on the antisymmetric C-N stretching vibration of the DCB radical anion provides clear experimental evidence that a substantial part of the excess energy is channeled into vibrational modes of the electron transfer product and that the geminate ion pairs dissociate. More importantly, our nanosecond time-resolved data indicate that the charge-separated state is very long lived ( 30 ns) due to the dissociation of the contact radical ion pair into free ions. Finally, the fast electron transfer and slow charge recombination anticipate the current donor−acceptor system with potential applications in organic solar cells.

  14. Multidimensional supersymmetric quantum mechanics: a scalar Hamiltonian approach to excited states by the imaginary time propagation method.

    Science.gov (United States)

    Chou, Chia-Chun; Kouri, Donald J

    2013-04-25

    Supersymmetric quantum mechanics (SUSY-QM) is shown to provide a novel approach to the construction of the initial states for the imaginary time propagation method to determine the first and second excited state energies and wave functions for a two-dimensional system. In addition, we show that all calculations are carried out in sector one and none are performed with the tensor sector two Hamiltonian. Through our tensorial approach to multidimensional supersymmetric quantum mechanics, we utilize the correspondence between the eigenstates of the sector one and two Hamiltonians to construct appropriate initial sector one states from sector two states for the imaginary time propagation method. The imaginary time version of the time-dependent Schrödinger equation is integrated to obtain the first and second excited state energies and wave functions using the split operator method for a two-dimensional anharmonic oscillator system and a two-dimensional double well potential. The computational results indicate that we can obtain the first two excited state energies and wave functions even when a quantum system does not exhibit any symmetry. Moreover, instead of dealing with the increasing computational complexity resulting from computations in the tensor sector two Hamiltonian, this study presents a new supersymmetric approach to calculations of accurate excited state energies and wave functions by directly using the scalar sector one Hamiltonian.

  15. Coulomb excitation of (31)Mg

    CERN Document Server

    Seidlitz, M; Reiter, P; Bildstein, V; Blazhev, A; Bree, N; Bruyneel, B; Cederkall, J; Clement, E; Davinson, T; van Duppen, P; Ekstrom, A; Finke, F; Fraile, L M; Geibel, K; Gernhauser, R; Hess, H; Holler, A; Huyse, M; Ivanov, O; Jolie, J; Kalkuhler, M; Kotthaus, T; Krucken, R; Lutter, R; Piselli, E; Scheit, H; Stefanescu, I; van de Walle, J; Voulot, D; Warr, N; Wenander, F; Wiens, A

    2011-01-01

    The ground state properties of ^3^1Mg indicate a change of nuclear shape at N=19 with a deformed J^@p=1/2^+ intruder state as a ground state, implying that ^3^1Mg is part of the ''island of inversion''. The collective properties of excited states were the subject of a Coulomb excitation experiment at REX-ISOLDE, CERN, employing a radioactive ^3^1Mg beam. De-excitation @c-rays were detected by the MINIBALL @c-spectrometer in coincidence with scattered particles in a segmented Si-detector. The level scheme of ^3^1Mg was extended. Spin and parity assignment of the 945 keV state yielded 5/2^+ and its de-excitation is dominated by a strong collective M1 transition. Comparison of the transition probabilities of ^3^0^,^3^1^,^3^2Mg establishes that for th e N=19 magnesium isotope not only the ground state but also excited states are largely dominated by a deformed pf intruder configuration.

  16. Generating Entanglement and Squeezed States of Nuclear Spins in Quantum Dots

    NARCIS (Netherlands)

    Rudner, M.S.; Vandersypen, L.M.K.; Vuletic, V.; Levitov, L.S.

    2011-01-01

    We present a scheme for achieving coherent spin squeezing of nuclear spin states in semiconductor quantum dots. The nuclear polarization dependence of the electron spin resonance generates a unitary evolution that drives nuclear spins into a collective entangled state. The polarization dependence of

  17. A semiempirical study for the ground and excited states of free-base and zinc porphyrin-fullerene dyads

    Science.gov (United States)

    Parusel, A. B.

    2000-01-01

    The ground and excited states of a covalently linked porphyrin-fullerene dyad in both its free-base and zinc forms (D. Kuciauskas et al., J. Phys. Chem. 100 (1996) 15926) have been investigated by semiempirical methods. The excited-state properties are discussed by investigation of the character of the molecular orbitals. All frontier MOs are mainly localized on either the donor or the acceptor subunit. Thus, the absorption spectra of both systems are best described as the sum of the spectra of the single components. The experimentally observed spectra are well reproduced by the theoretical computations. Both molecules undergo efficient electron transfer in polar but not in apolar solvents. This experimental finding is explained theoretically by explicitly considering solvent effects. The tenth excited state in the gas phase is of charge-separated character where an electron is transferred from the porphyrin donor to the fullerene acceptor subunit. This state is stabilized in energy in polar solvents due to its large formal dipole moment. The stabilization energy for an apolar environment such as benzene is not sufficient to lower this state to become the first excited singlet state. Thus, no electron transfer is observed, in agreement with experiment. In a polar environment such as acetonitrile, the charge-separated state becomes the S, state and electron transfer takes place, as observed experimentally. The flexible single bond connecting both the donor and acceptor subunits allows free rotation by ca. +/- 30 degrees about the optimized ground-state conformation. For the charge-separated state this optimized geometry has a maximum dipole moment. The geometry of the charge-separated state thus does not change relatively to the ground-state conformation. The electron-donating properties of porphyrin are enhanced in the zinc derivative due to a reduced porphyrin HOMO-LUMO energy gap. This yields a lower energy for the charge-separated state compared to the free

  18. Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography

    Science.gov (United States)

    Coquelle, Nicolas; Sliwa, Michel; Woodhouse, Joyce; Schirò, Giorgio; Adam, Virgile; Aquila, Andrew; Barends, Thomas R. M.; Boutet, Sébastien; Byrdin, Martin; Carbajo, Sergio; de La Mora, Eugenio; Doak, R. Bruce; Feliks, Mikolaj; Fieschi, Franck; Foucar, Lutz; Guillon, Virginia; Hilpert, Mario; Hunter, Mark S.; Jakobs, Stefan; Koglin, Jason E.; Kovacsova, Gabriela; Lane, Thomas J.; Lévy, Bernard; Liang, Mengning; Nass, Karol; Ridard, Jacqueline; Robinson, Joseph S.; Roome, Christopher M.; Ruckebusch, Cyril; Seaberg, Matthew; Thepaut, Michel; Cammarata, Marco; Demachy, Isabelle; Field, Martin; Shoeman, Robert L.; Bourgeois, Dominique; Colletier, Jacques-Philippe; Schlichting, Ilme; Weik, Martin

    2018-01-01

    Chromophores absorb light in photosensitive proteins and thereby initiate fundamental biological processes such as photosynthesis, vision and biofluorescence. An important goal in their understanding is the provision of detailed structural descriptions of the ultrafast photochemical events that they undergo, in particular of the excited states that connect chemistry to biological function. Here we report on the structures of two excited states in the reversibly photoswitchable fluorescent protein rsEGFP2. We populated the states through femtosecond illumination of rsEGFP2 in its non-fluorescent off state and observed their build-up (within less than one picosecond) and decay (on the several picosecond timescale). Using an X-ray free-electron laser, we performed picosecond time-resolved crystallography and show that the hydroxybenzylidene imidazolinone chromophore in one of the excited states assumes a near-canonical twisted configuration halfway between the trans and cis isomers. This is in line with excited-state quantum mechanics/molecular mechanics and classical molecular dynamics simulations. Our new understanding of the structure around the twisted chromophore enabled the design of a mutant that displays a twofold increase in its off-to-on photoswitching quantum yield.

  19. Quantum-dynamical Modeling of the Rydberg to Valence Excited-State Internal Conversion in Cyclobutanone