WorldWideScience

Sample records for bound excited states

  1. Bound state and localization of excitation in many-body open systems

    Science.gov (United States)

    Cui, H. T.; Shen, H. Z.; Hou, S. C.; Yi, X. X.

    2018-04-01

    We study the exact bound state and time evolution for single excitations in one-dimensional X X Z spin chains within a non-Markovian reservoir. For the bound state, a common feature is the localization of single excitations, which means the spontaneous emission of excitations into the reservoir is prohibited. Exceptionally, the pseudo-bound state can be found, for which the single excitation has a finite probability of emission into the reservoir. In addition, a critical energy scale for bound states is also identified, below which only one bound state exists, and it is also the pseudo-bound state. The effect of quasirandom disorder in the spin chain is also discussed; such disorder induces the single excitation to locate at some spin sites. Furthermore, to display the effect of bound state and disorder on the preservation of quantum information, the time evolution of single excitations in spin chains is studied exactly. An interesting observation is that the excitation can stay at its initial location with high probability only when the bound state and disorder coexist. In contrast, when either one of them is absent, the information of the initial state can be erased completely or becomes mixed. This finding shows that the combination of bound state and disorder can provide an ideal mechanism for quantum memory.

  2. Excitation spectra and wave functions of quasiparticle bound states in bilayer Rashba superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Higashi, Yoichi, E-mail: higashiyoichi@ms.osakafu-u.ac.jp [Department of Mathematical Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531 (Japan); Nagai, Yuki [CCSE, Japan Atomic Energy Agency, 178-4-4, Wakashiba, Kashiwa, Chiba 277-0871 (Japan); Yoshida, Tomohiro [Graduate School of Science and Technology, Niigata University, Niigata 950-2181 (Japan); Kato, Masaru [Department of Mathematical Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai 599-8531 (Japan); Yanase, Youichi [Department of Physics, Niigata University, Niigata 950-2181 (Japan)

    2015-11-15

    Highlights: • We focus on the pair-density wave state in bilayer Rashba superconductors. • The zero energy Bogoliubov wave functions are localized at the edge and vortex core. • We investigate the excitation spectra of edge and vortex bound states. - Abstract: We study the excitation spectra and the wave functions of quasiparticle bound states at a vortex and an edge in bilayer Rashba superconductors under a magnetic field. In particular, we focus on the quasiparticle states at the zero energy in the pair-density wave state in a topologically non-trivial phase. We numerically demonstrate that the quasiparticle wave functions with zero energy are localized at both the edge and the vortex core if the magnetic field exceeds the critical value.

  3. Kinetics studies following state-selective laser excitation

    International Nuclear Information System (INIS)

    Keto, J.W.

    1994-04-01

    The objective of this contract was the study of state-to-state, electronic energy transfer reactions relevant to the excited state chemistry observed in discharges. We studied deactivation reactions and excitation transfer in collisions of excited states of xenon and krypton atoms with Ar, Kr, Xe and chlorine. The reactant states were excited selectively in two-photon transitions using tunable u.v. and v.u.v. lasers. Excited states produced by the collision were observed by their fluorescence. Reaction rates were measured by observing the time dependent decay of signals from reactant and product channels. In addition we measured interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra were obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. Our research then required several categories of experiments in order to fully understand a reaction process: 1. High resolution laser spectroscopy of bound molecules or lineshapes of colliding pairs is used to determine potential curves for reactants. 2. Direct measurements of state-to-state reaction rates were measured by studying the time dependent loss of excited reactants and the time dependent formation of products. 3. The energy selectivity of a laser can be used to excite reactants on an excited surface with controlled internuclear configurations. For free states of reactants (as exist in a gas cell) this has been termed laser assisted reactions, while for initially bound states (as chemically bound reactants or dimers formed in supersonic beams) the experiments have been termed photo-fragmentation spectroscopy

  4. Highly excited bound-state resonances of short-range inverse power-law potentials

    Energy Technology Data Exchange (ETDEWEB)

    Hod, Shahar [The Ruppin Academic Center, Emeq Hefer (Israel); The Hadassah Academic College, Jerusalem (Israel)

    2017-11-15

    We study analytically the radial Schroedinger equation with long-range attractive potentials whose asymptotic behaviors are dominated by inverse power-law tails of the form V(r) = -β{sub n}r{sup -n} with n > 2. In particular, assuming that the effective radial potential is characterized by a short-range infinitely repulsive core of radius R, we derive a compact analytical formula for the threshold energy E{sub l}{sup max} = E{sub l}{sup max}(n, β{sub n}, R), which characterizes the most weakly bound-state resonance (the most excited energy level) of the quantum system. (orig.)

  5. Dark-matter bound states from Feynman diagrams

    NARCIS (Netherlands)

    Petraki, K.; Postma, M.; Wiechers, M.

    2015-01-01

    If dark matter couples directly to a light force mediator, then it may form bound states in the early universe and in the non-relativistic environment of haloes today. In this work, we establish a field-theoretic framework for the computation of bound-state formation cross-sections, de-excitation

  6. Two-nucleon bound states in quenched lattice QCD

    International Nuclear Information System (INIS)

    Yamazaki, T.; Kuramashi, Y.; Ukawa, A.

    2011-01-01

    We address the issue of bound state in the two-nucleon system in lattice QCD. Our study is made in the quenched approximation at the lattice spacing of a=0.128 fm with a heavy quark mass corresponding to m π =0.8 GeV. To distinguish a bound state from an attractive scattering state, we investigate the volume dependence of the energy difference between the ground state and the free two-nucleon state by changing the spatial extent of the lattice from 3.1 fm to 12.3 fm. A finite energy difference left in the infinite spatial volume limit leads us to the conclusion that the measured ground states for not only spin triplet but also singlet channels are bounded. Furthermore the existence of the bound state is confirmed by investigating the properties of the energy for the first excited state obtained by a 2x2 diagonalization method. The scattering lengths for both channels are evaluated by applying the finite volume formula derived by Luescher to the energy of the first excited states.

  7. Microscopic observation of magnon bound states and their dynamics.

    Science.gov (United States)

    Fukuhara, Takeshi; Schauß, Peter; Endres, Manuel; Hild, Sebastian; Cheneau, Marc; Bloch, Immanuel; Gross, Christian

    2013-10-03

    The existence of bound states of elementary spin waves (magnons) in one-dimensional quantum magnets was predicted almost 80 years ago. Identifying signatures of magnon bound states has so far remained the subject of intense theoretical research, and their detection has proved challenging for experiments. Ultracold atoms offer an ideal setting in which to find such bound states by tracking the spin dynamics with single-spin and single-site resolution following a local excitation. Here we use in situ correlation measurements to observe two-magnon bound states directly in a one-dimensional Heisenberg spin chain comprising ultracold bosonic atoms in an optical lattice. We observe the quantum dynamics of free and bound magnon states through time-resolved measurements of two spin impurities. The increased effective mass of the compound magnon state results in slower spin dynamics as compared to single-magnon excitations. We also determine the decay time of bound magnons, which is probably limited by scattering on thermal fluctuations in the system. Our results provide a new way of studying fundamental properties of quantum magnets and, more generally, properties of interacting impurities in quantum many-body systems.

  8. Excitations and possible bound states in the S = 1/2 alternating chain compound (VO)2P2O7

    International Nuclear Information System (INIS)

    Tennant, D.A.; Nagler, S.E.; Sales, B.C.

    1997-01-01

    Magnetic excitations in an array of (VO) 2 P 2 O 7 single crystals have been measured using inelastic neutron scattering. Until now, (VO) 2 P 2 O 7 has been thought of as a two-leg antiferromagnetic Heisenberg spin ladder with chains running in the a-direction. The present results show unequivocally that (VO) 2 P 2 O 7 is best described as an alternating spin-chain directed along the crystallographic b-direction. In addition to the expected magnon with magnetic zone-center energy gap Δ = 3.1 meV, a second excitation is observed at an energy just below 2Δ. The higher mode may be a triplet two-magnon bound state. Numerical results in support of bound modes are presented

  9. Crossover from bound to free states in plasmas

    International Nuclear Information System (INIS)

    Lankin, Alexander V; Norman, Genri E

    2009-01-01

    A self-consistent joint description of free and weakly bound electron states in strongly coupled plasmas is presented. The existence of two problems is emphasized. The first one is a well-known restriction of the number of atomic excited states. Another one is a description of the smooth crossover from bound pair electron-ion excited states to collective excitations of free electrons. The fluctuation approach is developed to study the spectrum domain intermediate between low-lying excited atoms and free electron continuous energy levels. The molecular dynamics method is applied to study the plasma model since the method is able to distinguish all kinds of fluctuations. The electron-ion interaction is described by the temperature-independent cut-off Coulomb potential. The diagnostics of pair electron-ion fluctuations is developed. The concept of pair fluctuations elucidates the smooth vanishing of atomic states near the ionization limit. The approach suggested removes the artificial break of the electron state density at the ionization limit: atomic state density divergent at the negative energy side and free electron state density starting from zero density at the positive energy side

  10. Do bound color octet states of liberated quarks exist

    International Nuclear Information System (INIS)

    Lipkin, H.J.

    1979-01-01

    In models where quarks are liberated and color can be excited, the three-quark color-octet state is shown to be unbound and unstable against breakup into free quarks and diquarks. The signature for color excitation in deep inelastic processes will not be a bound three-quark state which decays electromagnetically but a final state containing free quarks. (author)

  11. Optical studies of multiply excited states

    International Nuclear Information System (INIS)

    Mannervik, S.

    1989-01-01

    Optical studies of multiply-excited states are reviewed with emphasis on emission spectroscopy. From optical measurements, properties such as excitation energies, lifetimes and autoionization widths can be determined with high accuracy, which constitutes a challenge for modern computational methods. This article mainly covers work on two-, three- and four-electron systems, but also sodium-like quartet systems. Furthermore, some comments are given on bound multiply-excited states in negative ions. Fine structure effects on transition wavelengths and lifetimes (autoionization) are discussed. In particular, the most recent experimental and theoretical studies of multiply-excited states are covered. Some remaining problems, which require further attention, are discussed in more detail. (orig.) With 228 refs

  12. Parity lifetime of bound states in a proximitized semiconductor nanowire

    DEFF Research Database (Denmark)

    Higginbotham, Andrew Patrick; Albrecht, Sven Marian; Kirsanskas, Gediminas

    2015-01-01

    Quasiparticle excitations can compromise the performance of superconducting devices, causing high frequency dissipation, decoherence in Josephson qubits, and braiding errors in proposed Majorana-based topological quantum computers. Quasiparticle dynamics have been studied in detail in metallic...... superconductor layer, yielding an isolated, proximitized nanowire segment. We identify Andreev-like bound states in the semiconductor via bias spectroscopy, determine the characteristic temperatures and magnetic fields for quasiparticle excitations, and extract a parity lifetime (poisoning time) of the bound...

  13. 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.

  14. Emergent low-energy bound states in the two-orbital Hubbard model

    Science.gov (United States)

    Núñez-Fernández, Y.; Kotliar, G.; Hallberg, K.

    2018-03-01

    A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the nonhybridized two-orbital Hubbard model with intra- (inter)orbital interaction U (U12) and different bandwidths using an improved dynamical mean-field theory numerical technique which leads to reliable spectra on the real energy axis directly at zero temperature. We find that a finite density of states at the Fermi energy in one band is correlated with the emergence of well-defined quasiparticle states at excited energies Δ =U -U12 in the other band. These excitations are interband holon-doublon bound states. At the symmetric point U =U12 , the quasiparticle peaks are located at the Fermi energy, leading to a simultaneous and continuous Mott transition settling a long-standing controversy.

  15. Excitation of atomic nuclei and atoms by relativistic charge particles bound in a one-dimensional potential

    International Nuclear Information System (INIS)

    Almaliev, A.N.; Batkin, I.S.; Kopytin, I.V.

    1987-01-01

    The process of exciting atoms and atomic nuclei by relativistic electrons and positrons bound in a one-dimensional potential is investigated theoretically. It is shown that a pole corresponding to the emergence of a virtual photon on a bulk surface occurs in the matrix interaction element under definite kinematic relationships. It is obtained that the probability of the excitation process depends on the lifetime of the level being excited, the virtual photon, and the charged particle in a definite energetic state. An estimate of the magnitude of the excitation section of low-lying nuclear states yields a value exceeding by several orders the section obtained for charged particles in the absence of a binding potential

  16. Universal extra dimensions and Kaluza-Klein bound states

    International Nuclear Information System (INIS)

    Carone, Christopher D.; Conroy, Justin M.; Sher, Marc; Turan, Ismail

    2004-01-01

    We study the bound states of the Kaluza-Klein (KK) excitations of quarks in certain models of universal extra dimensions. Such bound states may be detected at future lepton colliders in the cross section for the pair production of KK quarks near threshold. For typical values of model parameters, we find that 'KK quarkonia' have widths in the 10-100 MeV range, and production cross sections of the order of a few picobarns for the lightest resonances. Two body decays of the constituent KK quarks lead to distinctive experimental signatures. We point out that such KK resonances may be discovered before any of the higher KK modes

  17. State Counting for Excited Bands of the Fractional Quantum Hall Effect: Exclusion Rules for Bound Excitons

    Science.gov (United States)

    Coimbatore Balram, Ajit; Wójs, Arkadiusz; Jain, Jainendra

    2014-03-01

    Exact diagonalization studies have revealed that the energy spectrum of interacting electrons in the lowest Landau level splits, non-perturbatively, into bands. The theory of nearly free composite fermions (CFs) has been shown to be valid for the lowest band, and thus to capture the low temperature physics, but it over-predicts the number of states for the excited bands. We explain the state counting of higher bands in terms of composite fermions with an infinitely strong short range interaction between a CF particle and a CF hole. This interaction, the form of which we derive from the microscopic CF theory, eliminates configurations containing certain tightly bound CF excitons. With this modification, the CF theory reproduces, for all well-defined excited bands, an exact counting for ν > 1 / 3 , and an almost exact counting for ν The resulting insight clarifies that the corrections to the nearly free CF theory are not thermodynamically significant at sufficiently low temperatures, thus providing a microscopic explanation for why it has proved successful for the analysis of the various properties of the CF Fermi sea. NSF grants DMR-1005536 and DMR-0820404, Polish NCN grant 2011/01/B/ST3/04504 and EU Marie Curie Grant PCIG09-GA-2011-294186, Research Computing and Cyberinfrastructure, PSU and Wroclaw Centre for Networking and Supercomputing

  18. Aspects of Majorana Bound States in One-Dimensional Systems with and without Time-Reversal Symmetry

    DEFF Research Database (Denmark)

    Wölms, Konrad Udo Hannes

    In recent years there has been a lot of interest in topological phases of matter. Unlike conventional phases of matter, topological phases are not distinguished by symmetries, but by so-called topological invariants which have more subtle physical implications. It comes therefore as no surprise...... phase the edge excitations are called Majorana bound states and they are interesting in themselves. There has been a lot of eort in detecting Majorana bound states in the lab. One reason is that these excitations provide evidence that a system is indeed in a topological phase. It is therefore required...... to have unambiguous experimental evidence for the presence Majorana bound states, which in turn requires a good theoretical understanding of the physics associated with Majorana bound states. In particular for the most common experimental methods that are used to study them, the signature of Majorana...

  19. Manipulation of Squeezed Two-Phonon Bound States using Femtosecond Laser Pulses

    Directory of Open Access Journals (Sweden)

    Nakamura Kazutaka G.

    2013-03-01

    Full Text Available Two-phonon bound states have been excited exclusively in ZnTe(110 via impulsive stimulated second-order Raman scattering, essentially being squeezed states due to phase coherent excitation of two identical components anticorrelated in the wave vector. By using coherent control technique with a pair of femtosecond laser pulses, the manipulation of squeezed states has been demonstrated in which both the amplitude and lifetime of coherent oscillations of squeezed states are modulated, indicating the feasibility to control the quantum noise and the quantum nature of phonon squeezed states, respectively.

  20. Ab initio investigation on the valence and dipole-bound states of CNa - and SiNa -

    Science.gov (United States)

    Kalcher, Josef; Sax, Alexander F.

    2000-08-01

    CNa - and SiNa - have been studied by the CAS-ACPF method. The 3Σ- ground states have binding energies of 5420 and 7517 cm -1, respectively. The 5Σ- excited states are 494 and 1551 cm -1 above the respective ground states. The 1Δ , 3Π , and 1Π valence-excited states for SiNa - should be at least metastable. CNa - and SiNa - possess dipole-bound 5Σ- and 3Σ- states. Binding energies of these states in CNa - are 217 and 236 cm -1, respectively. SiNa - has two stable 5Σ- dipole-bound states, whose binding energies are 246 and 118 cm -1, respectively.

  1. Accurate calculations of bound rovibrational states for argon trimer

    Energy Technology Data Exchange (ETDEWEB)

    Brandon, Drew; Poirier, Bill [Department of Chemistry and Biochemistry, and Department of Physics, Texas Tech University, Box 41061, Lubbock, Texas 79409-1061 (United States)

    2014-07-21

    This work presents a comprehensive quantum dynamics calculation of the bound rovibrational eigenstates of argon trimer (Ar{sub 3}), using the ScalIT suite of parallel codes. The Ar{sub 3} rovibrational energy levels are computed to a very high level of accuracy (10{sup −3} cm{sup −1} or better), and up to the highest rotational and vibrational excitations for which bound states exist. For many of these rovibrational states, wavefunctions are also computed. Rare gas clusters such as Ar{sub 3} are interesting because the interatomic interactions manifest through long-range van der Waals forces, rather than through covalent chemical bonding. As a consequence, they exhibit strong Coriolis coupling between the rotational and vibrational degrees of freedom, as well as highly delocalized states, all of which renders accurate quantum dynamical calculation difficult. Moreover, with its (comparatively) deep potential well and heavy masses, Ar{sub 3} is an especially challenging rare gas trimer case. There are a great many rovibrational eigenstates to compute, and a very high density of states. Consequently, very few previous rovibrational state calculations for Ar{sub 3} may be found in the current literature—and only for the lowest-lying rotational excitations.

  2. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X˜ 1A1 and excited C˜ 1B2(21A') states of SO2

    Science.gov (United States)

    Kłos, Jacek; Alexander, Millard H.; Kumar, Praveen; Poirier, Bill; Jiang, Bin; Guo, Hua

    2016-05-01

    We report new and more accurate adiabatic potential energy surfaces (PESs) for the ground X˜ 1A1 and electronically excited C˜ 1B2(21A') states of the SO2 molecule. Ab initio points are calculated using the explicitly correlated internally contracted multi-reference configuration interaction (icMRCI-F12) method. A second less accurate PES for the ground X ˜ state is also calculated using an explicitly correlated single-reference coupled-cluster method with single, double, and non-iterative triple excitations [CCSD(T)-F12]. With these new three-dimensional PESs, we determine energies of the vibrational bound states and compare these values to existing literature data and experiment.

  3. Technique for description of nonrotational excited states in a semiphenomenological nuclear theory

    International Nuclear Information System (INIS)

    Krutov, V.A.

    1985-01-01

    A non-standard technique for microscopic description of excited nonrotational states is considered; it is suitable for inseparable force application. Besides, an additional binding operator, mixing quasi-particle excitations and E1-resonance states, is considered. Instead of the standard technique of state ''collectivization'' of the random phase approximation type it is used the so-called ''method of bound amplitudes''

  4. 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.

  5. Excited, bound and resonant positron-atom systems

    International Nuclear Information System (INIS)

    Bromley, M W J; Mitroy, J

    2010-01-01

    Calculations have demonstrated that eleven neutral atoms can bind positrons, while many more can bind positronium. This is a short review of recent progress made in understanding some of the underlying mechanisms. The emphasis here being on configuration interaction calculations with excited state configurations. These have demonstrated the existence of a 2 P o excited state of e + Ca, which consists predominantly of a positronium cluster orbiting the Ca + ion in the L = 1 partial wave. Preliminary results are presented of excited state positron binding to a model alkali atom, where the excited 1 P o states are stable over a limited region. Implications for the unnatural parity, 2,4 S o , states of PsH, LiPs, NaPs and KPs are also discussed. The e + Mg, e + Cu, e + Zn and e + Cd systems show a lack of a 2 P o excited state, each instead possessing a low-energy p-wave shape resonance of varying strength.

  6. Generalized Bethe-Negele inequalities for excited states in muonic atoms

    International Nuclear Information System (INIS)

    Klarsfeld, S.

    1976-11-01

    Rigorous upper and lower bounds are derived for the Bethe logarithms in excited states of muonic atoms. Comparison with previous empirical estimates shows that the latter are inadequate in certain cases

  7. Excited, bound and resonant positron-atom systems

    Energy Technology Data Exchange (ETDEWEB)

    Bromley, M W J [Department of Physics and Computational Science Research Center, San Diego State University, San Diego CA 92182 (United States); Mitroy, J, E-mail: mbromley@physics.sdsu.ed [ARC Centre for Antimatter-Matter Studies and Faculty of Education, Health and Science, Charles Darwin University, Darwin NT 0909 (Australia)

    2010-01-01

    Calculations have demonstrated that eleven neutral atoms can bind positrons, while many more can bind positronium. This is a short review of recent progress made in understanding some of the underlying mechanisms. The emphasis here being on configuration interaction calculations with excited state configurations. These have demonstrated the existence of a {sup 2}P{sup o} excited state of e{sup +}Ca, which consists predominantly of a positronium cluster orbiting the Ca{sup +} ion in the L = 1 partial wave. Preliminary results are presented of excited state positron binding to a model alkali atom, where the excited {sup 1}P{sup o} states are stable over a limited region. Implications for the unnatural parity, {sup 2,4}S{sup o}, states of PsH, LiPs, NaPs and KPs are also discussed. The e{sup +}Mg, e{sup +}Cu, e{sup +}Zn and e{sup +}Cd systems show a lack of a {sup 2}P{sup o} excited state, each instead possessing a low-energy p-wave shape resonance of varying strength.

  8. Photon virtual bound state

    International Nuclear Information System (INIS)

    Inoue, J.; Ohtaka, K.

    2004-01-01

    We study virtual bound states in photonics, which are a vectorial extension of electron virtual bound states. The condition for these states is derived. It is found that the Mie resonant state which satisfies the condition that the size parameter is less than the angular momentum should be interpreted as a photon virtual bound state. In order to confirm the validity of the concept, we compare the photonic density of states, the width of which represents the lifetime of the photon virtual bound states, with numerical results

  9. NLIE of Dirichlet sine-Gordon model for boundary bound states

    International Nuclear Information System (INIS)

    Ahn, Changrim; Bajnok, Zoltan; Palla, Laszlo; Ravanini, Francesco

    2008-01-01

    We investigate boundary bound states of sine-Gordon model on the finite-size strip with Dirichlet boundary conditions. For the purpose we derive the nonlinear integral equation (NLIE) for the boundary excited states from the Bethe ansatz equation of the inhomogeneous XXZ spin 1/2 chain with boundary imaginary roots discovered by Saleur and Skorik. Taking a large volume (IR) limit we calculate boundary energies, boundary reflection factors and boundary Luescher corrections and compare with the excited boundary states of the Dirichlet sine-Gordon model first considered by Dorey and Mattsson. We also consider the short distance limit and relate the IR scattering data with that of the UV conformal field theory

  10. Muonic-hydrogen molecular bound states, quasibound states, and resonances in the Born-Oppenheimer approximation

    International Nuclear Information System (INIS)

    Jackson, J.D.

    1994-01-01

    The Born-Oppenheimer approximation is used as an exploratory tool to study bound states, quasibound states, and scattering resonances in muon (μ)--hydrogen (x)--hydrogen (y) molecular ions. Our purpose is to comment on the existence and nature of the narrow states reported in three-body calculations, for L=0 and 1, at approximately 55 eV above threshold and the family of states in the same partial waves reported about 1.9 keV above threshold. We first discuss the motivation for study of excited states beyond the well-known and well-studied bound states. Then we reproduce the energies and other properties of these well-known states to show that, despite the relatively large muon mass, the Born-Oppenheimer approximation gives a good, semiquantitative description containing all the essential physics. Born-Oppenheimer calculations of the s- and p-wave scattering of d-(dμ), d-(tμ), and t-(tμ) are compared with the accurate three-body results, again with general success. The places of disagreement are understood in terms of the differences in location of slightly bound (or unbound) states in the Born-Oppenheimer approximation compared to the accurate three-body calculations

  11. 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.

  12. Applications of the infinite momentum method to quantum electrodynamics and bound state problem

    International Nuclear Information System (INIS)

    Brodsky, S.J.

    1973-01-01

    It is shown that the infinite momentum method is a valid and useful calculational alternative to standard perturbation theory methods. The most exciting future applications may be in bound state problems in quantum electrodynamics

  13. Resolving the Spatial Structures of Bound Hole States in Black Phosphorus.

    Science.gov (United States)

    Qiu, Zhizhan; Fang, Hanyan; Carvalho, Alexandra; Rodin, A S; Liu, Yanpeng; Tan, Sherman J R; Telychko, Mykola; Lv, Pin; Su, Jie; Wang, Yewu; Castro Neto, A H; Lu, Jiong

    2017-11-08

    Understanding the local electronic properties of individual defects and dopants in black phosphorus (BP) is of great importance for both fundamental research and technological applications. Here, we employ low-temperature scanning tunnelling microscope (LT-STM) to probe the local electronic structures of single acceptors in BP. We demonstrate that the charge state of individual acceptors can be reversibly switched by controlling the tip-induced band bending. In addition, acceptor-related resonance features in the tunnelling spectra can be attributed to the formation of Rydberg-like bound hole states. The spatial mapping of the quantum bound states shows two distinct shapes evolving from an extended ellipse shape for the 1s ground state to a dumbbell shape for the 2p x excited state. The wave functions of bound hole states can be well-described using the hydrogen-like model with anisotropic effective mass, corroborated by our theoretical calculations. Our findings not only provide new insight into the many-body interactions around single dopants in this anisotropic two-dimensional material but also pave the way to the design of novel quantum devices.

  14. Benzonitrile: Electron affinity, excited states, and anion solvation

    Science.gov (United States)

    Dixon, Andrew R.; Khuseynov, Dmitry; Sanov, Andrei

    2015-10-01

    We report a negative-ion photoelectron imaging study of benzonitrile and several of its hydrated, oxygenated, and homo-molecularly solvated cluster anions. The photodetachment from the unsolvated benzonitrile anion to the X ˜ 1 A 1 state of the neutral peaks at 58 ± 5 meV. This value is assigned as the vertical detachment energy (VDE) of the valence anion and the upper bound of adiabatic electron affinity (EA) of benzonitrile. The EA of the lowest excited electronic state of benzonitrile, a ˜ 3 A 1 , is determined as 3.41 ± 0.01 eV, corresponding to a 3.35 eV lower bound for the singlet-triplet splitting. The next excited state, the open-shell singlet A ˜ 1 A 1 , is found about an electron-volt above the triplet, with a VDE of 4.45 ± 0.01 eV. These results are in good agreement with ab initio calculations for neutral benzonitrile and its valence anion but do not preclude the existence of a dipole-bound state of similar energy and geometry. The step-wise and cumulative solvation energies of benzonitrile anions by several types of species were determined, including homo-molecular solvation by benzonitrile, hydration by 1-3 waters, oxygenation by 1-3 oxygen molecules, and mixed solvation by various combinations of O2, H2O, and benzonitrile. The plausible structures of the dimer anion of benzonitrile were examined using density functional theory and compared to the experimental observations. It is predicted that the dimer anion favors a stacked geometry capitalizing on the π-π interactions between the two partially charged benzonitrile moieties.

  15. Fermionic bound states in distinct kinklike backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Bazeia, D. [Universidade Federal da Paraiba, Departamento de Fisica, Joao Pessoa, Paraiba (Brazil); Mohammadi, A. [Universidade Federal de Campina Grande, Departamento de Fisica, Caixa Postal 10071, Campina Grande, Paraiba (Brazil)

    2017-04-15

    This work deals with fermions in the background of distinct localized structures in the two-dimensional spacetime. Although the structures have a similar topological character, which is responsible for the appearance of fractionally charged excitations, we want to investigate how the geometric deformations that appear in the localized structures contribute to the change in the physical properties of the fermionic bound states. We investigate the two-kink and compact kinklike backgrounds, and we consider two distinct boson-fermion interactions, one motivated by supersymmetry and the other described by the standard Yukawa coupling. (orig.)

  16. Experimental and theoretical study of bound and quasibound states of Ce{sup -}

    Energy Technology Data Exchange (ETDEWEB)

    Walter, C. W.; Gibson, N. D.; Li, Y.-G.; Matyas, D. J.; Alton, R. M.; Lou, S. E.; Field, R. L. III; Hanstorp, D.; Pan, Lin; Beck, Donald R. [Department of Physics and Astronomy, Denison University, Granville, Ohio 43023 (United States); Department of Physics, University of Gothenburg, SE-412 96 Gothenburg (Sweden); Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States)

    2011-09-15

    The negative ion of cerium is investigated experimentally with tunable infrared laser photodetachment spectroscopy and theoretically with relativistic configuration interaction in the continuum formalism. The relative cross section for neutral atom production is measured with a crossed ion-beam-laser-beam apparatus over the photon energy range of 0.54-0.75 eV. A rich resonance spectrum is revealed near the threshold with, at least, 12 peaks observed due to transitions from bound states of Ce{sup -} to either bound or quasibound excited states of the negative ion. Theoretical calculations of the photodetachment cross sections enable identification of the transitions responsible for the measured peaks. Two of the peaks are due to electric dipole-allowed bound-bound transitions in Ce{sup -}, making cerium only the second atomic negative ion that has been demonstrated to support multiple bound states of opposite parity. In addition, combining the experimental data with the theoretical analysis determines the electron affinity of cerium to be 0.628(10) eV and the fine structure splitting of the ground state of Ce{sup -} ({sup 4} H{sub 7/2}-{sup 4} H{sub 9/2}) to be 0.097 75(4) eV.

  17. Excitation and recombination of donor-acceptor pairs in ZnTe

    International Nuclear Information System (INIS)

    Nakashima, S.; Yasuda, S.

    1979-01-01

    The photoluminescence spectra and its excitation spectra of the donor-acceptor pairs are observed in ZnTe crystals doped with Li and As in the region below the bandgap energy. The relaxation of electrons and holes into the first excited state of d-a pairs is studied for the three excitation processes: (1) bound-to-bound transitions, (2) bound-to-free transitions, and (3) free-to-free transitions. It is concluded that most of the electrons and holes at the excited states of each impurity level are relaxed rapidly into their ground states before the occurrence of the recombination involving the excited states. For the excitation process (2), conduction electrons are preferentially trapped by positively charged pairs. The redistribution of bound holes by hopping is suggested to explain the broad d-a emission band observed for the bound-to-free excitation for very distant pairs. (author)

  18. Photoionization of furan from the ground and excited electronic states.

    Science.gov (United States)

    Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

    2016-02-28

    Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

  19. Spectroscopy of weakly-bound complexes in highly excited electronic states: the He-I2(E3Πg) ion-pair state

    International Nuclear Information System (INIS)

    Prosmiti, Rita; Valdés, Álvaro; Kalemost, Apostolos

    2014-01-01

    The study of electronically excited van der Waals (vdW) systems presents a challenge for the theory of intermolecular interactions, and here we show how far ab initio computations can go. We found that the interaction energies for such electronically excited systems can indeed be determined, providing a reliable and accurate description for the E state potential of the HeI 2 , that in combination with the ground X and electronic excited B state of the complex, is useful to model experimental data related with potential minima and also predict higher vibrational vdW states

  20. 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

  1. Photoemission from excited states in rare gas solids by combining synchrotronradiation with a laser

    International Nuclear Information System (INIS)

    Bernstorff, S.

    1984-09-01

    A new spectroscopic method has been developed to study excited states in rare gas solids: Excitons and conductionband-states are populated by synchrotron radiation (photon energy hw SR =5 - 30 eV). Subsequently electrons from these bound or conduction band-states are excited above the vacuum level of the solid by a pulsed dye laser (hw L =1.9 - 3.7 eV). This experimental technique was applied to solid Xe, Kr, Ar and Ne. (orig./GSCH)

  2. Bound and rebound states

    International Nuclear Information System (INIS)

    Orzalesi, C.A.

    1979-01-01

    In relativistic quantum theory, bound states generate forces in the crossed channel; such forces can affect the binding and self-consistent solutions should be sought for the bound-state problem. The author investigates how self-consistency can be achieved by successive approximations, in a simple scalar model and with successive relativistic eikonal approximations (EAs). Within the generalized ladder approximation, some exact properties of the resulting ''first generation'' bound states are discussed. The binding energies in this approximation are rather small even for rather large values of the primary coupling constant. The coupling of the constituent particles to the first-generation reggeon is determined by a suitable EA and a new generalized ladder amplitude is constructed with rungs given either by the primary gluons or by the first-generation reggeons. The resulting new (second-generation) bound states are found in a reggeized EA. The size of the corrections to the binding energies due to the rebinding effects is surprisingly large. The procedure is then iterated, so as to find - again in an EA - the third-generation bound states. The procedure is found to be self-consistent already at this stage: the third-generation bound states coincide with those of second generation, and no further rebinding takes place in the higher iterations of the approximation method. Features - good and bad - of the model are discussed, as well as the possible relevance of rebinding mechanisms in hadron dynamics. (author)

  3. Depletion of the excited state population in negative ions using laser photodetachment in a gas-filled RF quadrupole ion guide

    Energy Technology Data Exchange (ETDEWEB)

    Lindahl, A O; Hanstorp, D [Department of Physics, University of Gothenburg, SE-412 96 Gothenburg (Sweden); Forstner, O [VERA Laboratory, Faculty of Physics, Universitaet Wien, Vienna (Austria); Gibson, N D [Department of Physics and Astronomy, Denison University, Granville, OH 43023 (United States); Gottwald, T; Wendt, K [Institut fuer Physik, Johannes Gutenberg-Universitaet, Mainz, 55099 Mainz (Germany); Havener, C C; Liu, Y, E-mail: Dag.Hanstorp@physics.gu.s [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6368 (United States)

    2010-06-14

    The depopulation of excited states in beams of negatively charged carbon and silicon ions was demonstrated using collisional detachment and laser photodetachment in a radio-frequency quadrupole ion guide filled with helium. The high-lying, loosely bound {sup 2}D excited state in C{sup -} was completely depleted through collisional detachment alone, which was quantitatively determined within 6%. For Si{sup -} the combined signal from the population in the {sup 2}P and {sup 2}D excited states was only partly depleted through collisions in the cooler. The loosely bound {sup 2}P state was likely to be completely depopulated, and the more tightly bound {sup 2}D state was partly depopulated through collisions. 98(2)% of the remaining {sup 2}D population was removed by photodetachment in the cooler using less than 2 W laser power. The total reduction of the excited population in Si{sup -}, including collisional detachment and photodetachment, was estimated to be 99(1)%. Employing this novel technique to produce a pure ground state negative ion beam offers possibilities of enhancing selectivity, as well as accuracy, in high-precision experiments on atomic as well as molecular negative ions.

  4. Embedding potentials for excited states of embedded species

    International Nuclear Information System (INIS)

    Wesolowski, Tomasz A.

    2014-01-01

    Frozen-Density-Embedding Theory (FDET) is a formalism to obtain the upper bound of the ground-state energy of the total system and the corresponding embedded wavefunction by means of Euler-Lagrange equations [T. A. Wesolowski, Phys. Rev. A 77(1), 012504 (2008)]. FDET provides the expression for the embedding potential as a functional of the electron density of the embedded species, electron density of the environment, and the field generated by other charges in the environment. Under certain conditions, FDET leads to the exact ground-state energy and density of the whole system. Following Perdew-Levy theorem on stationary states of the ground-state energy functional, the other-than-ground-state stationary states of the FDET energy functional correspond to excited states. In the present work, we analyze such use of other-than-ground-state embedded wavefunctions obtained in practical calculations, i.e., when the FDET embedding potential is approximated. Three computational approaches based on FDET, that assure self-consistent excitation energy and embedded wavefunction dealing with the issue of orthogonality of embedded wavefunctions for different states in a different manner, are proposed and discussed

  5. Bound states in string nets

    Science.gov (United States)

    Schulz, Marc Daniel; Dusuel, Sébastien; Vidal, Julien

    2016-11-01

    We discuss the emergence of bound states in the low-energy spectrum of the string-net Hamiltonian in the presence of a string tension. In the ladder geometry, we show that a single bound state arises either for a finite tension or in the zero-tension limit depending on the theory considered. In the latter case, we perturbatively compute the binding energy as a function of the total quantum dimension. We also address this issue in the honeycomb lattice where the number of bound states in the topological phase depends on the total quantum dimension. Finally, the internal structure of these bound states is analyzed in the zero-tension limit.

  6. Excited states v.6

    CERN Document Server

    Lim, Edward C

    1982-01-01

    Excited States, Volume 6 is a collection of papers that discusses the excited states of molecules. The first paper discusses the linear polyene electronic structure and potential surfaces, considering both the theoretical and experimental approaches in such electronic states. This paper also reviews the theory of electronic structure and cites some experimental techniques on polyene excitations, polyene spectroscopic phenomenology, and those involving higher states of polyenes and their triplet states. Examples of these experimental studies of excited states involve the high-resolution one-pho

  7. Quasi-bound states in continuum

    International Nuclear Information System (INIS)

    Nakamura, Hiroaki; Hatano, Naomichi; Garmon, Sterling; Petrosky, Tomio

    2007-08-01

    We report the prediction of quasi-bound states (resonant states with very long lifetimes) that occur in the eigenvalue continuum of propagating states for a wide region of parameter space. These quasi-bound states are generated in a quantum wire with two channels and an adatom, when the energy bands of the two channels overlap. A would-be bound state that lays just below the upper energy band is slightly destabilized by the lower energy band and thereby becomes a resonant state with a very long lifetime (a second QBIC lays above the lower energy band). (author)

  8. 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

  9. First observation of bound excited states in the A/Z = 3 nucleus 15B

    International Nuclear Information System (INIS)

    Dobradi, Zs.; Sohler, D.; Azaiez, F.

    2004-01-01

    Complete text of publication follows. Structure of strongly neutron rich nuclei, especially of those lying close to the neutron drip line came into the focus of interest. Among others, the structure of neutron rich Boron isotopes also attracted attention in the last decade. The nuclei 15 B, 17 B and 19 B are particle stable, while the isotopes with even mass number are unstable against neutron emission. Even the neutron rich Boron isotopes with odd mass number have a low neutron binding energy, which is a sign of their weakly bound nature. As a common effect of the weak binding and of the large neutron excess, neutron skin or halo can also develop already in the isotope 15 B with A/Z = 3. Structure of the nucleus 15 B has been investigated by in-beam γ-spectroscopic study of the 9 Be + 36 S fragmentation reaction at GANIL, France. The emerging fragments were identified by use of a standard ΔE-time-of-fight technique with help of the SPEG spectrograph. γ-ray energies, intensities and γγ coincidences have been measured in coincidence with the projectile like fragments by 74 BaF 2 detectors of the Chateau de crystal. On the basis of the γ-spectroscopic information the level scheme presented in Figure 1 was constructed. The level scheme is shown together with the results of di rent model calculations. The common in predictions of these models is that all of them suggest a ground state band with the spin sequence 3/2 - , 5/2 - and 7/2 - , as well as a 1/2 - state, which involves a proton single particle excitation. The shell model calculations (SM) predict similar moments of inertia, strongly different from that of the antisymmetrized molecular dynamics calculations (AMD). The experimentally observed states can be assigned to the members of the rotational band on the basis of their decay properties. The experimental results confirm the predictions of the shell model. (author)

  10. 2νββ decay of 76Ge into excited states with GERDA phase I

    Science.gov (United States)

    GERDA Collaboration; Agostini, M.; Allardt, M.; Bakalyarov, A. M.; Balata, M.; Barabanov, I.; Barros, N.; Baudis, L.; Bauer, C.; Becerici-Schmidt, N.; Bellotti, E.; Belogurov, S.; Belyaev, S. T.; Benato, G.; Bettini, A.; Bezrukov, L.; Bode, T.; Borowicz, D.; Brudanin, V.; Brugnera, R.; Budjáš, D.; Caldwell, A.; Cattadori, C.; Chernogorov, A.; D'Andrea, V.; Demidova, E. V.; di Vacri, A.; Domula, A.; Doroshkevich, E.; Egorov, V.; Falkenstein, R.; Fedorova, O.; Freund, K.; Frodyma, N.; Gangapshev, A.; Garfagnini, A.; Gooch, C.; Grabmayr, P.; Gurentsov, V.; Gusev, K.; Hegai, A.; Heisel, M.; Hemmer, S.; Heusser, G.; Hofmann, W.; Hult, M.; Inzhechik, L. V.; Janicskó Csáthy, J.; Jochum, J.; Junker, M.; Kazalov, V.; Kihm, T.; Kirpichnikov, I. V.; Kirsch, A.; Klimenko, A.; Knöpfle, K. T.; Kochetov, O.; Kornoukhov, V. N.; Kuzminov, V. V.; Laubenstein, M.; Lazzaro, A.; Lebedev, V. I.; Lehnert, B.; Liao, H. Y.; Lindner, M.; Lippi, I.; Lubashevskiy, A.; Lubsandorzhiev, B.; Lutter, G.; Macolino, C.; Majorovits, B.; Maneschg, W.; Medinaceli, E.; Mi, Y.; Misiaszek, M.; Moseev, P.; Nemchenok, I.; Palioselitis, D.; Panas, K.; Pandola, L.; Pelczar, K.; Pullia, A.; Riboldi, S.; Rumyantseva, N.; Sada, C.; Salathe, M.; Schmitt, C.; Schneider, B.; Schreiner, J.; Schulz, O.; Schwingenheuer, B.; Schönert, S.; Schütz, A.-K.; Selivanenko, O.; Shirchenko, M.; Simgen, H.; Smolnikov, A.; Stanco, L.; Stepaniuk, M.; Ur, C. A.; Vanhoefer, L.; Vasenko, A. A.; Veresnikova, A.; von Sturm, K.; Wagner, V.; Walter, M.; Wegmann, A.; Wester, T.; Wilsenach, H.; Wojcik, M.; Yanovich, E.; Zavarise, P.; Zhitnikov, I.; Zhukov, S. V.; Zinatulina, D.; Zuber, K.; Zuzel, G.

    2015-11-01

    Two neutrino double beta decay of {}76{Ge} to excited states of {}76{Se} has been studied using data from Phase I of the GERDA experiment. An array composed of up to 14 germanium detectors including detectors that have been isotopically enriched in {}76{Ge} was deployed in liquid argon. The analysis of various possible transitions to excited final states is based on coincidence events between pairs of detectors where a de-excitation γ ray is detected in one detector and the two electrons in the other. No signal has been observed and an event counting profile likelihood analysis has been used to determine Frequentist 90% C.L. bounds for three transitions: {0}{{g}.{{s}}.}+-{2}1+: {T}1/22ν \\gt 1.6× {10}23 yr, {0}{{g}.{{s}}.}+-{0}1+: {T}1/22ν \\gt 3.7× {10}23 yr and {0}{{g}.{{s}}.}+-{2}2+: {T}1/22ν \\gt 2.3× {10}23 yr. These bounds are more than two orders of magnitude larger than those reported previously. Bayesian 90% credibility bounds were extracted and used to exclude several models for the {0}{{g}.{{s}}.}+-{0}1+ transition.

  11. Instanton bound states in ABJM theory

    Energy Technology Data Exchange (ETDEWEB)

    Hatsuda, Yasuyuki [DESY Hamburg (Germany). Theory Group; Tokyo Institute of Technology (Japan). Dept. of Physics; Moriyama, Sanefumi [Nagoya Univ. (Japan). Kobayashi Maskawa Inst. and Graduate School of Mathematics; Okuyama, Kazumi [Shinshu Univ., Matsumoto, Nagano (Japan). Dept. of Physics

    2013-06-15

    The partition function of the ABJM theory receives non-perturbative corrections due to instanton effects. We study these non-perturbative corrections, including bound states of worldsheet instantons and membrane instantons, in the Fermi-gas approach. We require that the total non-perturbative correction should be always finite for arbitrary Chern-Simons level. This finiteness is realized quite non-trivially because each bound state contribution naively diverges at some levels. The poles of each contribution should be canceled out in total. We use this pole cancellation mechanism to find unknown bound state corrections from known ones. We conjecture a general expression of the bound state contribution. Summing up all the bound state contributions, we find that the effect of bound states is simply incorporated into the worldsheet instanton correction by a redefinition of the chemical potential in the Fermi-gas system. Analytic expressions of the 3- and 4-membrane instanton corrections are also proposed.

  12. Bound states in continuum: Quantum dots in a quantum well

    Energy Technology Data Exchange (ETDEWEB)

    Prodanović, Nikola, E-mail: elnpr@leeds.ac.uk [Institute of Microwaves and Photonics, School of Electronic and Electrical Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT (United Kingdom); Milanović, Vitomir [School of Electrical Engineering, University of Belgrade, Bulevar Kralja Aleksandra 73, 11000 Belgrade (Serbia); Ikonić, Zoran; Indjin, Dragan; Harrison, Paul [Institute of Microwaves and Photonics, School of Electronic and Electrical Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT (United Kingdom)

    2013-11-01

    We report on the existence of a bound state in the continuum (BIC) of quantum rods (QR). QRs are novel elongated InGaAs quantum dot nanostructures embedded in the shallower InGaAs quantum well. BIC appears as an excited confined dot state and energetically above the bottom of a well subband continuum. We prove that high height-to-diameter QR aspect ratio and the presence of a quantum well are indispensable conditions for accommodating the BIC. QRs are unique semiconductor nanostructures, exhibiting this mathematical curiosity predicted 83 years ago by Wigner and von Neumann.

  13. Models for light QCD bound states

    International Nuclear Information System (INIS)

    LaCourse, D.P.

    1992-01-01

    After a brief overview of Regge, tower, and heavy-quark experimental data, this thesis examines two massless wave equations relevant to quark bound states. We establish general conditions on the Lorentz scalar and Lorentz vector potentials which yield arbitrary leading Regge trajectories for the case of circular classical motion. A semi-classical approximation which includes radial motion reproduces remarkably well the exact solutions. Conditions for tower structure are examined, and found to be incompatible with conditions which give a Nambu stringlike Regge slope. The author then proposes a generalization of the usual potential model of quark bound states in which the confining flux tube is a dynamical object carrying both angular momentum and energy. The Q bar Q-string system with spinless quarks is quantized using an implicit operator technique and the resulting relativistic wave equation is solved. For heavy quarks the usual Schroedinger valence-quark model is recovered. The Regge slope with light quarks agree with the classical rotating-string result and is significantly larger and the effects of short-range forces are also considered. A relativistic generalization of the quantized flux tube model predicts the glueball ground state mass to be √3/α' ≅ 1.9 GeV where α' is the normal Regge slope. The groundstate as well as excited levels like considerably above the expectations of previous models and also above various proposed experimental candidates. The glueball Regge slope is only about three-eighths that for valence quark hadrons. A semi-classical calculation of the Regge slope is in good agreement with a numerically exact value

  14. Giant resonances on excited states

    International Nuclear Information System (INIS)

    Besold, W.; Reinhard, P.G.; Toepffer, C.

    1984-01-01

    We derive modified RPA equations for small vibrations about excited states. The temperature dependence of collective excitations is examined. The formalism is applied to the ground state and the first excited state of 90 Zr in order to confirm a hypothesis which states that not only the ground state but every excited state of a nucleus has a giant resonance built upon it. (orig.)

  15. Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states

    International Nuclear Information System (INIS)

    Closser, Kristina D.; Head-Gordon, Martin; Gessner, Oliver

    2014-01-01

    The dynamics resulting from electronic excitations of helium clusters were explored using ab initio molecular dynamics. The simulations were performed with configuration interaction singles and adiabatic classical dynamics coupled to a state-following algorithm. 100 different configurations of He 7 were excited into the 2s and 2p manifold for a total of 2800 trajectories. While the most common outcome (90%) was complete fragmentation to 6 ground state atoms and 1 excited state atom, 3% of trajectories yielded bound, He 2 * , and <0.5% yielded an excited helium trimer. The nature of the dynamics, kinetic energy release, and connections to experiments are discussed

  16. Binding energies of two deltas bound states

    International Nuclear Information System (INIS)

    Sato, Hiroshi; Saito, Koichi.

    1982-06-01

    Bound states of the two-deltas system are investigated by employing the realistic one boson exchange potential. It is found that there exist many bound states in each isospin channel and also found that the tensor interaction plays important role in producing these bound states. Relationship between these bound states and dibaryon resonances is discussed. (J.P.N.)

  17. Exact finite volume expectation values of local operators in excited states

    Energy Technology Data Exchange (ETDEWEB)

    Pozsgay, B. [MTA-BME “Momentum” Statistical Field Theory Research Group,Budafoki út 8, 1111 Budapest (Hungary); Szécsényi, I.M. [Department of Mathematical Sciences, Durham University, South Road, Durham, DH1 3LE (United Kingdom); Institute of Theoretical Physics, Eötvös Loránd University,Pázmány Péter sétány 1/A, 1117 Budapest (Hungary); Takács, G. [MTA-BME “Momentum” Statistical Field Theory Research Group,Budafoki út 8, 1111 Budapest (Hungary); Department of Theoretical Physics, Budapest University of Technology and Economics,Budafoki út 8, 1111 Budapest (Hungary)

    2015-04-07

    We present a conjecture for the exact expression of finite volume expectation values in excited states in integrable quantum field theories, which is an extension of an earlier conjecture to the case of general diagonal factorized scattering with bound states and a nontrivial bootstrap structure. The conjectured expression is a spectral expansion which uses the exact form factors and the excited state thermodynamic Bethe Ansatz as building blocks. The conjecture is proven for the case of the trace of the energy-moment tensor. Concerning its validity for more general operators, we provide numerical evidence using the truncated conformal space approach. It is found that the expansion fails to be well-defined for small values of the volume in cases when the singularity structure of the TBA equations undergoes a non-trivial rearrangement under some critical value of the volume. Despite these shortcomings, the conjectured expression is expected to be valid for all volumes for most of the excited states, and as an expansion above the critical volume for the rest.

  18. Exact finite volume expectation values of local operators in excited states

    International Nuclear Information System (INIS)

    Pozsgay, B.; Szécsényi, I.M.; Takács, G.

    2015-01-01

    We present a conjecture for the exact expression of finite volume expectation values in excited states in integrable quantum field theories, which is an extension of an earlier conjecture to the case of general diagonal factorized scattering with bound states and a nontrivial bootstrap structure. The conjectured expression is a spectral expansion which uses the exact form factors and the excited state thermodynamic Bethe Ansatz as building blocks. The conjecture is proven for the case of the trace of the energy-moment tensor. Concerning its validity for more general operators, we provide numerical evidence using the truncated conformal space approach. It is found that the expansion fails to be well-defined for small values of the volume in cases when the singularity structure of the TBA equations undergoes a non-trivial rearrangement under some critical value of the volume. Despite these shortcomings, the conjectured expression is expected to be valid for all volumes for most of the excited states, and as an expansion above the critical volume for the rest.

  19. Two-magnon bound state causes ultrafast thermally induced magnetisation switching

    Science.gov (United States)

    Barker, J.; Atxitia, U.; Ostler, T. A.; Hovorka, O.; Chubykalo-Fesenko, O.; Chantrell, R. W.

    2013-01-01

    There has been much interest recently in the discovery of thermally induced magnetisation switching using femtosecond laser excitation, where a ferrimagnetic system can be switched deterministically without an applied magnetic field. Experimental results suggest that the reversal occurs due to intrinsic material properties, but so far the microscopic mechanism responsible for reversal has not been identified. Using computational and analytic methods we show that the switching is caused by the excitation of two-magnon bound states, the properties of which are dependent on material factors. This discovery allows us to accurately predict the onset of switching and the identification of this mechanism will allow new classes of materials to be identified or designed for memory devices in the THz regime. PMID:24253110

  20. Topologically protected bound states in one-dimensional Floquet acoustic waveguide systems

    Science.gov (United States)

    Peng, Yu-Gui; Geng, Zhi-Guo; Zhu, Xue-Feng

    2018-03-01

    Topological manipulation of sound has recently been a hot spot in acoustics due to the fascinating property of defect immune transport. To the best of our knowledge, the studies on one-dimensional (1D) topological acoustic systems hitherto mainly focus on the case of the Su-Schrieffer-Heeger model. Here, we show that topologically protected bound states may also exist in 1D periodically modulated acoustic waveguide systems, viz., 1D Floquet topological insulators. The results show that tuning the coupling strength in a waveguide lattice could trigger topological phase transition, which gives rise to topologically protected interface states as we put together two waveguide lattices featured with different topological phases or winding numbers. However, for the combined lattice, input at the waveguides other than the interfacial ones will excite bulk states. We have further verified the robustness of interface bound states against the variation of coupling strengths between the two distinct waveguide lattices. This work extends the scope of topological acoustics and may promote potential applications for acoustic devices with topological functionalities.

  1. Two-phonon bound states in imperfect crystals

    International Nuclear Information System (INIS)

    Behera, S.N.; Samsur, Sk.

    1980-01-01

    The question of the occurrence of two-phonon bound states in imperfect crystals is investigated. It is shown that the anharmonicity mediated two-phonon bound state which is present in perfect crystals gets modified due to the presence of impurities. Moreover, the possibility of the occurrence of a purely impurity mediated two-phonon bound state is demonstrated. The bound state frequencies are calculated using the simple Einstein oscillator model for the host phonons. The two-phonon density of states for the imperfect crystal thus obtained has peaks at the combination and difference frequencies of two host phonons besides the peaks at the bound state frequencies. For a perfect crystal the theory predicts a single peak at the two-phonon bound state frequency in conformity with experimental observations and other theoretical calculations. Experimental data on the two-phonon infrared absorption and Raman scattering from mixed crystals of Gasub(1-c)Alsub(c)P and Gesub(1-c)Sisub(c) are analysed to provide evidence in support of impurity-mediated two-phonon bound states. The relevance of the zero frequency (difference spectrum) peak to the central peak, observed in structural phase transitions, is conjectured. (author)

  2. Three-photon laser spectroscopy of even-parity bound states of samarium atom

    International Nuclear Information System (INIS)

    Gomonaj, O.Yi.; Kudelich, O.Yi.

    2002-01-01

    The energy spectrum of highly-excited even-parity bound states of a Sm atom, lying in the energy range 34421.1 - 36031.8 cm -1 , is investigated using three-photon resonance-ionization spectroscopy. The energies and total momenta of 48 levels are determined. Eight new levels not observed before are discovered. Thirteen intense two-photon transitions, which can be used in the schemes of Sm atom effective photoionization, are observed

  3. Excited-state density functional theory

    International Nuclear Information System (INIS)

    Harbola, Manoj K; Hemanadhan, M; Shamim, Md; Samal, P

    2012-01-01

    Starting with a brief introduction to excited-state density functional theory, we present our method of constructing modified local density approximated (MLDA) energy functionals for the excited states. We show that these functionals give accurate results for kinetic energy and exchange energy compared to the ground state LDA functionals. Further, with the inclusion of GGA correction, highly accurate total energies for excited states are obtained. We conclude with a brief discussion on the further direction of research that include the construction of correlation energy functional and exchange potential for excited states.

  4. Nonlinear spectroscopy of the bound exciton states in CdSe single crystals

    International Nuclear Information System (INIS)

    Lisitsa, M.P.; Onishchenko, N.A.; Stolyarenko, A.V.; Ananchenko, V.V.; Polishchuk, S.V.

    1989-01-01

    The study is devoted to the pulsed laser radiation effect on the time-resolved variations of free and bound exciton bands region at the helium temperature. A gradual disappearance of the bound I 2 exciton state is observed with increase of the excitation intensity I in CdSe transmission spectra. This phenomenon is explained by the fact that despite of the shorter life of I 2 excitons as compared to the free ones, the concentration of the centres on which they localize is rather low (≤10 16 cm -3 ) while the evolution of the light-generated electron-hole pairs is such as the most probable recombination through the bound excitons. The transmission spectrum kinetics is studied. The intensity limitation of the laser pulse transmitted through the crystal in the region of the exciton ground state region is shown to be related with two-photon absorption (TPA) in which the exciton state is an intermediate level. The calculation results are in good agreement with the experiment. The estimations show the giant TPA coefficient of ∼10 3 cm/MW. The evolution of photoexcited nonequilibrium electron-hole pairs is studied. The possibility of using CdSe single crystals as spectrum-selective limiters of the laser pulses is shown. (author)

  5. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    The potential for using conducting polymers as the active material in optoelectronic devices has come to fruition in the past few years. Understanding the fundamental photophysics behind their operations points to the significant role played by the polymer interface in their performance. Current device architectures involve the use of bulk heterojunctions which intimately blend the donor and acceptor polymers to significantly increase not only their interfacial surface area but also the probability of exciton formation within the vicinity of the interface. In this dissertation, we detail the role played by the interface on the behavior and performance of bulk heterojunction systems. First, we explore the relation between the exciton binding energy to the band offset in determining device characteristics. As a general rule, when the exciton binding energy is greater than the band offset, the exciton remains the lowest energy excited state leading to efficient light-emitting properties. On the other hand, if the offset is greater than the binding energy, charge separation becomes favorable leading to better photovoltaic behavior. Here, we use a Wannier function, configuration interaction based approach to examine the essential excited states and predict the vibronic absorption and emission spectra of the PPV/BBL, TFB/F8BT and PFB/F8BT heterojunctions. Our results underscore the role of vibrational relaxation in the formation of charge-transfer states following photoexcitation. In addition, we look at the relaxation dynamics that occur upon photoexcitation. For this, we adopt the Marcus-Hush semiclassical method to account for lattice reorganization in the calculation of the interconversion rates in TFB/F8BT and PFB/F8BT. We find that, while a tightly bound charge-transfer state (exciplex) remains the lowest excited state, a regeneration pathway to the optically active lowest excitonic state in TFB/F8BT is possible via thermal repopulation from the exciplex. Finally

  6. Electron impact excitation of xenon from the metastable state to the excited states

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Jun; Dong Chenzhong; Xie Luyou; Zhou Xiaoxin [College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); Wang Jianguo [Institute of Applied Physics and Computational Mathematic, Beijing 100088 (China)], E-mail: dongcz@nwnu.edu.cn

    2008-12-28

    The electron impact excitation cross sections from the lowest metastable state 5p{sup 5}6sJ = 2 to the six lowest excited states of the 5p{sup 5}6p configuration of xenon are calculated systematically by using the fully relativistic distorted wave method. In order to discuss the effects of target state descriptions on the electron impact excitation cross sections, two correlation models are used to describe the target states based on the multiconfiguration Dirac-Fock (MCDF) method. It is found that the correlation effects play a very important role in low energy impact. For high energy impact, however, the cross sections are not sensitive to the description of the target states, but many more partial waves must be included.

  7. Observation of the Stark effect in υ+ = 0 Rydberg states of NO: a comparison between predissociating and bound states

    International Nuclear Information System (INIS)

    Jones, N J A; Minns, R S; Patel, R; Fielding, H H

    2008-01-01

    The Stark spectra of Rydberg states of NO below the υ + = 0 ionization limit, with principal quantum numbers n = 25-30, have been investigated in the presence of dc electric fields in the range 0-150 V cm -1 . The Stark states were accessed by two-colour, double-resonance excitation via the υ' = 0, N' = 0 rovibrational state of the A 2 Σ + state. The N( 2 D) atoms produced by predissociation were measured by (2 + 1) resonance-enhanced multiphoton ionization, and compared with pulsed-field ionization spectra of the bound Rydberg state population (Patel et al 2007 J. Phys. B: At. Mol. Opt. Phys. 40 1369)

  8. New Theoretical Developments in Exploring Electronically Excited States: Including Localized Configuration Interaction Singles and Application to Large Helium Clusters

    Science.gov (United States)

    Closser, Kristina Danielle

    This thesis presents new developments in excited state electronic structure theory. Contrasted with the ground state, the electronically excited states of atoms and molecules often are unstable and have short lifetimes, exhibit a greater diversity of character and are generally less well understood. The very unusual excited states of helium clusters motivated much of this work. These clusters consist of large numbers of atoms (experimentally 103--109 atoms) and bands of nearly degenerate excited states. For an isolated atom the lowest energy excitation energies are from 1s → 2s and 1s → 2 p transitions, and in clusters describing the lowest energy band minimally requires four states per atom. In the ground state the clusters are weakly bound by van der Waals interactions, however in the excited state they can form well-defined covalent bonds. The computational cost of quantum chemical calculations rapidly becomes prohibitive as the size of the systems increase. Standard excited-state methods such as configuration interaction singles (CIS) and time-dependent density functional theory (TD-DFT) can be used with ≈100 atoms, and are optimized to treat only a few states. Thus, one of our primary aims is to develop a method which can treat these large systems with large numbers of nearly degenerate excited states. Additionally, excited states are generally formed far from their equilibrium structures. Vertical excitations from the ground state induce dynamics in the excited states. Thus, another focus of this work is to explore the results of these forces and the fate of the excited states. Very little was known about helium cluster excited states when this work began, thus we first investigated the excitations in small helium clusters consisting of 7 or 25 atoms using CIS. The character of these excited states was determined using attachment/detachment density analysis and we found that in the n = 2 manifold the excitations could generally be interpreted as

  9. Theory and computation of triply excited resonances: Application to states of He-

    International Nuclear Information System (INIS)

    Nicolaides, C.A.; Piangos, N.A.; Komninos, Y.

    1993-01-01

    Autoionizing multiply excited states offer unusual challenges to the theory of electronic structure and spectra because of the presence of strong electron correlations, of their occasional weak binding, of their proximity to more than one threshold, and of their degeneracy with many continua. Here we discuss a theory that addresses these difficulties in conjunction with the computation of their wave functions and intrinsic properties. Emphasis is given on the justification of the possible presence of self-consistently obtained open-channel-like (OCL) correlating configurations in the square-integrable representation of such states and on their effect on the energy E and the width Γ. Application of the theory has allowed the prediction of two hitherto unknown He - triply excited resonances, the 2s2p 2 2 P (E=59.71 eV, above the He ground state, Γ=79 meV) and the 2p 3 2 Do (E=59.46 eV, Γ=282 meV) (1 a.u.=27.2116 eV). These resonances are above the singly excited states of He and are embedded in its doubly excited spectrum. The relatively broad 2p 3 2 Do state interacts strongly with the He 2s2p 3 Po εd continuum. The effect of this interaction has been studied in terms of the coupling with fixed core scattering states as well as with a self-consistently computed OCL bound configuration

  10. Is the anomalous effect an experimental evidence for the excitation of new exotic states in heavy-ion collisions

    International Nuclear Information System (INIS)

    Ion, D.B.; Ion, R.; Topor Pop, V.

    1984-10-01

    Lower bound on the mean free path of the projectile fragments from the relativistic heavy ion collisions are drived using generalized Rarita-Schwed's theorems. These bounds are compared with the experimental data on the anomalous mean free path observed in recent experiments. The near saturation of these bounds provide a specific interpretation of the anomalous effects as an experimental evidence for the excitation of those extreme nuclear states which saturate the limits of the convetional nuclear physics. (authors)

  11. Four-quark bound states

    International Nuclear Information System (INIS)

    Zouzou, S.

    1986-01-01

    In the framework of simple non-relativistic potential models, we examine the system consisting of two quarks and two antiquarks with equal or unequal masses. We search for possible bound states below the threshold for the spontaneous dissociation into two mesons. We solve the four body problem by empirical or systematic variational methods and we include the virtual meson-meson components of the wave function. With standard two-body potentials, there is no proliferation of multiquarks. With unequal quark masses, we obtain however exotic (anti Qanti Qqq) bound states with a baryonic antidiquark-quark-quark structure very analogous to the heavy flavoured (Q'qq) baryons. (orig.)

  12. Proximity effect tunneling into virtual bound state alloys

    International Nuclear Information System (INIS)

    Tang, I.M.; Roongkkeadsakoon, S.

    1984-01-01

    The effects of a narrow virtual bound state formed by transition metal impurities dissolved in the normal layer of a superconducting proximity effect sandwich are studied. Using standard renormalization techniques, we obtain the changes in the transition temperatures and the jumps in the specific heat at T/sub c/ as a function of the thickness of the normal layer, of the widths of the virtual bound states, and of the impurity concentrations. It is seen that narrow virtual bound states lead to decrease in the transition temperatures, while broad virtual bound states do not. It if further seen that the narrow virtual bound state causes the reduced specific heat jump at T/sub c/ to deviate from the BCS behavior expected of the pure sandwich

  13. Unexpected strong attraction in the presence of continuum bound state

    International Nuclear Information System (INIS)

    Delfino, A.; Frederico, T.

    1992-06-01

    The result of few-particle ground-state calculation employing a two-particle non-local potential supporting a continuum bound state in addition to a negative-energy bound state has occasionally revealed unexpected large attraction in producing a very strongly bound ground state. In the presence of the continuum bound state the difference of phase shift between zero and infinite energies has an extra jump of φ as in the presence of an additional bound state. The wave function of the continuum bound state is identical with that of a strongly bound negative-energy state, which leads us to postulate a pseudo bound state in the two-particle system in order to explain the unexpected attraction. The role of the Pauli forbidden states is expected to be similar to these pseudo states. (author)

  14. Excited-state molecular photoionization dynamics

    International Nuclear Information System (INIS)

    Pratt, S.T.

    1995-01-01

    This review presents a survey of work using resonance-enhanced multiphoton ionization and double-resonance techniques to study excited-state photoionization dynamics in molecules. These techniques routinely provide detail and precision that are difficult to achieve in single-photon ionization from the ground state. The review not only emphasizes new aspects of photoionization revealed in the excited-state experiments but also shows how the excited-state techniques can provide textbook illustrations of some fundamental mechanisms in molecular photoionization dynamics. Most of the examples are confined to diatomic molecules. (author)

  15. Excited states in biological systems

    International Nuclear Information System (INIS)

    Cilento, G.; Zinner, K.; Bechara, E.J.H.; Duran, N.; Baptista, R.C. de; Shimizu, Y.; Augusto, O.; Faljoni-Alario, A.; Vidigal, C.C.C.; Oliveira, O.M.M.F.; Haun, M.

    1979-01-01

    Some aspects of bioluminescence related to bioenergetics are discussed: 1. chemical generation of excited species, by means of two general processes: electron transference and cyclic - and linear peroxide cleavage; 2. biological systems capable of generating excited states and 3. biological functions of these states, specially the non-emissive ones (tripletes). The production and the role of non-emissive excited states in biological systems are analysed, the main purpose of the study being the search for non-emissive states. Experiences carried out in biological systems are described; results and conclusions are given. (M.A.) [pt

  16. Mutual friction in superfluid 3He: Effects of bound states in the vortex core

    International Nuclear Information System (INIS)

    Kopnin, N.B.; Salomaa, M.M.

    1991-01-01

    The motion of singular quantized vortex lines in superfluid 3 He is considered for the A and B phases. Mutual friction is calculated within a microscopic quantum-mechanical Green's-function formalism, valid for dynamical processes. This enables us to include all the different physical phenomena in a unified approach. We consider axisymmetric vortices for temperatures considerably lower than T c . In this regime, the main contribution to the force exerted on a moving vortex originates from the localized Fermi excitations occupying quantized energy eigenstates in the vortex core. These 3 He quasiparticle states are similar to the quantized motion of charge in a magnetic field; thus vortex motion in 3 He resembles the Hall phenomenon in metals. The outcome is that the viscous drag cannot simply be expressed through the cross sections for 3 He quasiparticles scattering off the vortex, but is rather due to the mutual interactions between the localized quasiparticles and the normal excitations. Our calculations conform with the experimental values for the mutual-friction parameters. We also discuss vortex oscillations, and predict that strong dissipation should be observed at a resonant frequency of about 10 kHz, owing to transitions between the bound-state energy levels. This effect could be used for detecting and measuring the quantization of the bound-state spectrum for superfluid 3 He in the vortex-core matter

  17. 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...

  18. The bound state problem and quark confinement

    International Nuclear Information System (INIS)

    Chaichian, M.; Demichev, A.P.; Nelipa, N.F.

    1980-01-01

    A quantum field-theoretic model in which quark is confined is considered. System of equations for the Green functions of colour singlet and octet bound states is obtained. The method is based on the nonperturbative Schwinger-Dyson equations with the use of Slavnov-Taylor identities. It is shown that in the framework of the model if there exist singlet, then also exist octet bound states of the quark-antiquark system. Thus in general, confinement of free quarks does not mean absence of their coloured bound states. (author)

  19. Quantum localization and bound-state formation in Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Franzosi, Roberto; Giampaolo, Salvatore M.; Illuminati, Fabrizio

    2010-01-01

    We discuss the possibility of exponential quantum localization in systems of ultracold bosonic atoms with repulsive interactions in open optical lattices without disorder. We show that exponential localization occurs in the maximally excited state of the lowest energy band. We establish the conditions under which the presence of the upper energy bands can be neglected, determine the successive stages and the quantum phase boundaries at which localization occurs, and discuss schemes to detect it experimentally by visibility measurements. The discussed mechanism is a particular type of quantum localization that is intuitively understood in terms of the interplay between nonlinearity and a bounded energy spectrum.

  20. Entropic Lower Bound for Distinguishability of Quantum States

    Directory of Open Access Journals (Sweden)

    Seungho Yang

    2015-01-01

    Full Text Available For a system randomly prepared in a number of quantum states, we present a lower bound for the distinguishability of the quantum states, that is, the success probability of determining the states in the form of entropy. When the states are all pure, acquiring the entropic lower bound requires only the density operator and the number of the possible states. This entropic bound shows a relation between the von Neumann entropy and the distinguishability.

  1. Braneworld black holes and entropy bounds

    Directory of Open Access Journals (Sweden)

    Y. Heydarzade

    2018-01-01

    Full Text Available The Bousso's D-bound entropy for the various possible black hole solutions on a 4-dimensional brane is checked. It is found that the D-bound entropy here is apparently different from that of obtained for the 4-dimensional black hole solutions. This difference is interpreted as the extra loss of information, associated to the extra dimension, when an extra-dimensional black hole is moved outward the observer's cosmological horizon. Also, it is discussed that N-bound entropy is hold for the possible solutions here. Finally, by adopting the recent Bohr-like approach to black hole quantum physics for the excited black holes, the obtained results are written also in terms of the black hole excited states.

  2. 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.)

  3. Relativistic bound state wave functions

    International Nuclear Information System (INIS)

    Micu, L.

    2005-01-01

    A particular method of writing the bound state wave functions in relativistic form is applied to the solutions of the Dirac equation with confining potentials in order to obtain a relativistic description of a quark antiquark bound system representing a given meson. Concerning the role of the effective constituent in the present approach we first observe that without this additional constituent we couldn't expand the bound state wave function in terms of products of free states. Indeed, we notice that if the wave function depends on the relative coordinates only, all the expansion coefficients would be infinite. Secondly we remark that the effective constituent enabled us to give a Lorentz covariant meaning to the potential energy of the bound system which is now seen as the 4th component of a 4-momentum. On the other side, by relating the effective constituent to the quantum fluctuations of the background field which generate the binding, we provided a justification for the existence of some spatial degrees of freedom accompanying the interaction potential. These ones, which are quite unusual in quantum mechanics, in our model are the natural consequence of the the independence of the quarks and can be seen as the effect of the imperfect cancellation of the vector momenta during the quantum fluctuations. Related with all these we remark that the adequate representation for the relativistic description of a bound system is the momentum representation, because of the transparent and easy way of writing the conservation laws and the transformation properties of the wave functions. The only condition to be fulfilled is to find a suitable way to take into account the potential energy of the bound system. A particular feature of the present approach is that the confining forces are due to a kind of glue where both quarks are embedded. This recalls other bound state models where the wave function is factorized in terms of constituent wave functions and the confinement is

  4. Stability of a nonlinear second order equation under parametric bounded noise excitation

    International Nuclear Information System (INIS)

    Wiebe, Richard; Xie, Wei-Chau

    2016-01-01

    The motivation for the following work is a structural column under dynamic axial loads with both deterministic (harmonic transmitted forces from the surrounding structure) and random (wind and/or earthquake) loading components. The bounded noise used herein is a sinusoid with an argument composed of a random (Wiener) process deviation about a mean frequency. By this approach, a noise parameter may be used to investigate the behavior through the spectrum from simple harmonic forcing, to a bounded random process with very little harmonic content. The stability of both the trivial and non-trivial stationary solutions of an axially-loaded column (which is modeled as a second order nonlinear equation) under parametric bounded noise excitation is investigated by use of Lyapunov exponents. Specifically the effect of noise magnitude, amplitude of the forcing, and damping on stability of a column is investigated. First order averaging is employed to obtain analytical approximations of the Lyapunov exponents of the trivial solution. For the non-trivial stationary solution however, the Lyapunov exponents are obtained via Monte Carlo simulation as the stability equations become analytically intractable. (paper)

  5. New rational extensions of solvable potentials with finite bound state spectrum

    International Nuclear Information System (INIS)

    Grandati, Yves

    2012-01-01

    Using the disconjugacy properties of the Schrödinger equation, we develop a new type of generalized SUSY QM partnership which allows generating new solvable rational extensions for translationally shape invariant potentials having a finite bound state spectrum. For this we prolong the dispersion relation relating the energy to the quantum number out of the physical domain until a disconjugacy sector. By Darboux–Bäcklund Transformations built on these prolonged states we obtain new regular isospectral extensions of the initial potential. We give the spectra of these extensions in terms of new orthogonal polynomials and study their shape invariance properties. -- Highlights: ► New solvable quantum potentials. ► SUSY quantum partnership generalized to excited states. ► Based on disconjugacy theorems and asymptotic behaviour. ► Exact spectrum in terms of new orthogonal polynomials. ► Enlarged shape invariance property.

  6. Two-dimensional electron states bound to an off-plane donor in a magnetic field

    International Nuclear Information System (INIS)

    Bruno-Alfonso, A; Candido, L; Hai, G-Q

    2010-01-01

    The states of an electron confined in a two-dimensional (2D) plane and bound to an off-plane donor impurity center, in the presence of a magnetic field, are investigated. The energy levels of the ground state and the first three excited states are calculated variationally. The binding energy and the mean orbital radius of these states are obtained as a function of the donor center position and the magnetic field strength. The limiting cases are discussed for an in-plane donor impurity (i.e. a 2D hydrogen atom) as well as for the donor center far away from the 2D plane in strong magnetic fields, which corresponds to a 2D harmonic oscillator.

  7. Bound entangled states violate a nonsymmetric local uncertainty relation

    International Nuclear Information System (INIS)

    Hofmann, Holger F.

    2003-01-01

    As a consequence of having a positive partial transpose, bound entangled states lack many of the properties otherwise associated with entanglement. It is therefore interesting to identify properties that distinguish bound entangled states from separable states. In this paper, it is shown that some bound entangled states violate a nonsymmetric class of local uncertainty relations [H. F. Hofmann and S. Takeuchi, Phys. Rev. A 68, 032103 (2003)]. This result indicates that the asymmetry of nonclassical correlations may be a characteristic feature of bound entanglement

  8. Electronic excitations in fast ion-solid collisions

    International Nuclear Information System (INIS)

    Burgdoerfer, J.

    1990-01-01

    We review recent developments in the study of electronic excitation of projectiles in fast ion-solid collisions. Our focus will be primarily on theory but experimental advances will also be discussed. Topics include the evidence for velocity-dependent thresholds for the existence of bound states, wake-field effects on excited states, the electronic excitation of channeled projectiles, transport phenomena, and the interaction of highly charged ions with surfaces. 44 refs., 14 figs

  9. Extended Lagrangian Excited State Molecular Dynamics.

    Science.gov (United States)

    Bjorgaard, J A; Sheppard, D; Tretiak, S; Niklasson, A M N

    2018-02-13

    An extended Lagrangian framework for excited state molecular dynamics (XL-ESMD) using time-dependent self-consistent field theory is proposed. The formulation is a generalization of the extended Lagrangian formulations for ground state Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 2008 100, 123004]. The theory is implemented, demonstrated, and evaluated using a time-dependent semiempirical model, though it should be generally applicable to ab initio theory. The simulations show enhanced energy stability and a significantly reduced computational cost associated with the iterative solutions of both the ground state and the electronically excited states. Relaxed convergence criteria can therefore be used both for the self-consistent ground state optimization and for the iterative subspace diagonalization of the random phase approximation matrix used to calculate the excited state transitions. The XL-ESMD approach is expected to enable numerically efficient excited state molecular dynamics for such methods as time-dependent Hartree-Fock (TD-HF), Configuration Interactions Singles (CIS), and time-dependent density functional theory (TD-DFT).

  10. Formation of Bonded Exciplex in the Excited States of Dicyanoanthracene-Pyridine System : Time Dependent Density Functional Theory Study

    NARCIS (Netherlands)

    Setiawan, D.; Sethio, D.; Martoprawiro, M.A.; Filatov, M.; Gaol, FL; Nguyen, QV

    2012-01-01

    Strong quenching of fluorescence was recently observed in pyridine solutions of 9,10-dicyanoanthracene chromophore. It was hypothesized that quenching may be attributed to the formation of bound charge transfer complexes in the excited states of the molecules. In this work, using time-dependent

  11. Photoionization dynamics of excited molecular states

    International Nuclear Information System (INIS)

    Dehmer, J.L.; O'Halloran, M.A.; Tomkins, F.S.; Dehmer, P.M.; Pratt, S.T.

    1987-01-01

    Resonance Enhanced Multiphoton Ionization (REMPI) utilizes tunable dye lasers to ionize an atom or molecule by first preparing an excited state by multiphoton absorption and then ionizing that state before it can decay. This process is highly selective with respect to both the initial and resonant intermediate states of the target, and it can be extremely sensitive. In addition, the products of the REMPI process can be detected as needed by analyzing the resulting electrons, ions, fluorescence, or by additional REMPI. This points to a number of opportunities for exploring excited state physics and chemistry at the quantum-state-specific level. Here we will first give a brief overview of the large variety of experimental approaches to excited state phenomena made possible by REMPI. Then we will examine in more detail, recent studies of the three photon resonant, four photon (3 + 1) ionization of H 2 via the C 'PI/sup u/ state. Strong non-Franck-Condon behavior in the photoelectron spectra of this nominally simple Rydberg state has led to the examination of a variety of dynamical mechanisms. Of these, the role of doubly excited autoionizing states now seems decisive. Progress on photoelectron studies of autoionizing states in H 2 , excited in a (2 + 1) REMPI process via the E, F 1 Σ/sub g/ + will also be briefly discussed. 26 refs., 7 figs

  12. Charged boson bound states in the kerr-newman metric

    International Nuclear Information System (INIS)

    Li Yuanjie; Zhang Duanming

    1986-01-01

    Charged boson bound states in Kerr-Newman metric are discussed. It is found that massless boson cannot be attracted by Kerr-Newman black hole to form bound states. For the massive boson, the condition of the nonbound states when 0 2 - Q 2 and both the condition and wave functions of the bound states when a = √M 2 - Q 2 are obtained. The energy mode of the bound states is single, E = (m√M 2 - Q 2 + eQM)/(2M 2 - Q 2 ). When Q = 0 or e = 0, the conclusion is in agreement with that of Zhang Shiwei and Su Rukeng

  13. Cosmological implications of Dark Matter bound states

    Energy Technology Data Exchange (ETDEWEB)

    Mitridate, Andrea [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126, Pisa (Italy); Redi, Michele; Smirnov, Juri [INFN, Sezione di Firenze, and Dipartimento di Fisica e Astronomia, Università di Firenze, Via G. Sansone 1, 50019 Sesto Fiorentino (Italy); Strumia, Alessandro, E-mail: andrea.mitridate@gmail.com, E-mail: michele.redi@fi.infn.it, E-mail: juri.smirnov@mpi-hd.mpg.de, E-mail: alessandro.strumia@cern.ch [Dipartimento di Fisica dell' Università di Pisa and INFN, Pisa (Italy)

    2017-05-01

    We present generic formulæ for computing how Sommerfeld corrections together with bound-state formation affects the thermal abundance of Dark Matter with non-abelian gauge interactions. We consider DM as a fermion 3plet (wino) or 5plet under SU(2) {sub L} . In the latter case bound states raise to 11.5 TeV the DM mass required to reproduce the cosmological DM abundance and give indirect detection signals such as (for this mass) a dominant γ-line around 70 GeV. Furthermore, we consider DM co-annihilating with a colored particle, such as a squark or a gluino, finding that bound state effects are especially relevant in the latter case.

  14. 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....

  15. 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....

  16. Inhomogeneous nuclear spin polarization induced by helicity-modulated optical excitation of fluorine-bound electron spins in ZnSe

    Science.gov (United States)

    Heisterkamp, F.; Greilich, A.; Zhukov, E. A.; Kirstein, E.; Kazimierczuk, T.; Korenev, V. L.; Yugova, I. A.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

    2015-12-01

    Optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer is studied by time-resolved Kerr rotation using resonant excitation of donor-bound excitons. Excitation with helicity-modulated laser pulses results in a transverse nuclear spin polarization, which is detected as a change of the Larmor precession frequency of the donor-bound electron spins. The frequency shift in dependence on the transverse magnetic field exhibits a pronounced dispersion-like shape with resonances at the fields of nuclear magnetic resonance of the constituent zinc and selenium isotopes. It is studied as a function of external parameters, particularly of constant and radio frequency external magnetic fields. The width of the resonance and its shape indicate a strong spatial inhomogeneity of the nuclear spin polarization in the vicinity of a fluorine donor. A mechanism of optically induced nuclear spin polarization is suggested based on the concept of resonant nuclear spin cooling driven by the inhomogeneous Knight field of the donor-bound electron.

  17. What can Andreev bound states tell us about superconductors?

    Science.gov (United States)

    Millo, Oded; Koren, Gad

    2018-08-06

    Zero-energy Andreev bound states, which manifest themselves in the tunnelling spectra as zero-bias conductance peaks (ZBCPs), are abundant at interfaces between superconductors and other materials and on the nodal surface of high-temperature superconductors. In this review, we focus on the information such excitations can provide on the properties of superconductor systems. First, a general introduction to the physics of Andreev bound states in superconductor/normal metal interfaces is given with a particular emphasis on why they appear at zero energy in d -wave superconductors. Then, specific spectroscopic tunnelling studies of thin films, bilayers and junctions are described, focusing on the corresponding ZBCP features. Scanning tunnelling spectroscopy (STS) studies show that the ZBCPs on the c -axis YBa 2 Cu 3 O 7- δ (YBCO) films are correlated with the surface morphology and appear only in proximity to (110) facets. STS on c -axis La 1.88 Sr 0.12 CuO 4 (LSCO) films exhibiting the 1/8 anomaly shows spatially modulated peaks near zero bias associated with the anti-phase ordering of the d -wave order parameter predicted at this doping level. ZBCPs were also found in micrometre-size edge junctions of YBCO/SrRuO 3 /YBCO, where SrRuO 3 is ferromagnetic. Here, the results are consistent with a crossed Andreev reflection effect (CARE) at the narrow domain walls of the SrRuO 3 ZBCPs measured in STS studies of manganite/cuprate bilayers could not be attributed to CARE because the manganite's domain wall is much larger than the coherence length in YBCO, and instead are attributed to proximity-induced triplet-pairing superconductivity with non-conventional symmetry. And finally, ZBCPs found in junctions of non-intentionally doped topological insulator films of Bi 2 Se 3 and the s -wave superconductor NbN are attributed to proximity-induced p x  + ip y triplet order parameter in the topological material.This article is part of the theme issue 'Andreev bound states'.

  18. Excited-state imaging of cold atoms

    NARCIS (Netherlands)

    Sheludko, D.V.; Bell, S.C.; Vredenbregt, E.J.D.; Scholten, R.E.; Deshmukh, P.C.; Chakraborty, P.; Williams, J.F.

    2007-01-01

    We have investigated state-selective diffraction contrast imaging (DCI) of cold 85Rb atoms in the first excited (52P3/2) state. Excited-state DCI requires knowledge of the complex refractive index of the atom cloud, which was calculated numerically using a semi-classical model. The Autler-Townes

  19. Andreev bound states probed in three-terminal quantum dots

    Science.gov (United States)

    Gramich, J.; Baumgartner, A.; Schönenberger, C.

    2017-11-01

    Andreev bound states (ABSs) are well-defined many-body quantum states that emerge from the hybridization of individual quantum dot (QD) states with a superconductor and exhibit very rich and fundamental phenomena. We demonstrate several electron transport phenomena mediated by ABSs that form on three-terminal carbon nanotube (CNT) QDs, with one superconducting (S) contact in the center and two adjacent normal-metal (N) contacts. Three-terminal spectroscopy allows us to identify the coupling to the N contacts as the origin of the Andreev resonance (AR) linewidths and to determine the critical coupling strengths to S, for which a ground state (or quantum phase) transition in such S-QD systems can occur. In addition, we ascribe replicas of the lowest-energy ABS resonance to transitions between the ABS and odd-parity excited QD states, a process we call excited state ABS resonances. In the conductance between the two N contacts we find a characteristic pattern of positive and negative differential subgap conductance, which we explain by considering two nonlocal processes, the creation of Cooper pairs in S by electrons from both N terminals, and a transport mechanism we call resonant ABS tunneling, possible only in multiterminal QD devices. In the latter process, electrons are transferred via the ABS without effectively creating Cooper pairs in S. The three-terminal geometry also allows spectroscopy experiments with different boundary conditions, for example by leaving S floating. Surprisingly, we find that, depending on the boundary conditions and the device parameters, the experiments either show single-particle Coulomb blockade resonances, ABS characteristics, or both in the same measurements, seemingly contradicting the notion of ABSs replacing the single-particle states as eigenstates of the QD. We qualitatively explain these results as originating from the finite time scale required for the coherent oscillations between the superposition states after a single

  20. Yukawa Bound States and Their LHC Phenomenology

    Directory of Open Access Journals (Sweden)

    Enkhbat Tsedenbaljir

    2013-01-01

    Full Text Available We present the current status on the possible bound states of extra generation quarks. These include phenomenology and search strategy at the LHC. If chiral fourth-generation quarks do exist their strong Yukawa couplings, implied by current experimental lower bound on their masses, may lead to formation of bound states. Due to nearly degenerate 4G masses suggested by Precision Electroweak Test one can employ “heavy isospin” symmetry to classify possible spectrum. Among these states, the color-octet isosinglet vector ω 8 is the easiest to be produced at the LHC. The discovery potential and corresponding decay channels are covered in this paper. With possible light Higgs at ~125 GeV two-Higgs doublet version is briefly discussed.

  1. Kinetic studies following state-selective laser excitation: Progress report, March 15, 1988--March 14, 1989

    International Nuclear Information System (INIS)

    Keto, J.W.

    1988-11-01

    The objective of this contract is the study of state-to-state, electronic energy transfer reactions following two-photon laser excitation. We have chosen to study reactions of Xe 5p 5 np because of their relevance to the XeCl excimer laser. We are studying deactivation reactions in collisions with heavy atoms such as Ar, Kr, and Xe and reactive collisions with chlorides. The reactants are excited by multiphoton laser absorption. Product channels are observed by their fluorescence, or by laser induced fluorescence using a second color laser. Reaction rates are measured by observing the time dependent decay of signals from reactant and product channels. In addition we measure interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra are obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. 11 refs. 4 figs., 3 tabs

  2. Entanglement entropy of excited states

    International Nuclear Information System (INIS)

    Alba, Vincenzo; Fagotti, Maurizio; Calabrese, Pasquale

    2009-01-01

    We study the entanglement entropy of a block of contiguous spins in excited states of spin chains. We consider the XY model in a transverse field and the XXZ Heisenberg spin chain. For the latter, we developed a numerical application of the algebraic Bethe ansatz. We find two main classes of states with logarithmic and extensive behavior in the dimension of the block, characterized by the properties of excitations of the state. This behavior can be related to the locality properties of the Hamiltonian having a given state as the ground state. We also provide several details of the finite size scaling

  3. Characterization of weakly excited final states by shakedown spectroscopy of laser-excited potassium

    International Nuclear Information System (INIS)

    Schulz, J.; Heinaesmaeki, S.; Aksela, S.; Aksela, H.; Sankari, R.; Rander, T.; Lindblad, A.; Bergersen, H.; Oehrwall, G.; Svensson, S.; Kukk, E.

    2006-01-01

    3p shakedown spectra of laser excited potassium atoms as well as direct 3p photoemission of ground state potassium have been studied. These two excitation schemes lead to the same final states and thereby provide a good basis for a detailed study of the 3p 5 (4s3d) 1 configurations of singly ionized potassium and the photoemission processes leading to these configurations. The comparison of direct photoemission from the ground state and conjugate shakedown spectra from 4p 1/2 laser excited potassium made it possible to experimentally determine the character of final states that are only weakly excited in the direct photoemission but have a much higher relative intensity in the shakedown spectrum. Based on considerations of angular momentum and parity conservation the excitation scheme of the final states can be understood

  4. Investigation of the 34S(p,γ)35Cl reaction and resonant absorption applied to the excitation of bound states

    International Nuclear Information System (INIS)

    Sparks, R.J.

    1976-01-01

    The yield curve of the reaction 34 S(p,γ) 35 Cl has been measured over the energy range Esub(p) = 1.95 - 2.91 MeV. Proton energies and strengths of 84 resonances are given. The decay schemes of 38 selected resonances have been studied, and for these branching ratios and spin limits are presented. Angular distributions have been measured at four 34 S(p,γ) 35 Cl resonances, at Esub(x) = 8.63, 8.64, 8.95 and 9.08 MeV, giving spin-parity assignments Jsup(π) = 7/2 - , (3/2,5/2), 3/2 + and 5/2, respectively. Spins and parities have been determined for bound states at Esub(x) = 3.92, 4.11, 4.85 and 5.16 MeV, as Jsup(π) = 3/2 + , 7/2 + , (1/2,3/2), 7/2 - , respectively. Branching and mixing ratios have been obtained for the decay of the states at Esub(x) = 3.92, 4.11, 4.35 and 5.16 MeV. Transition strengths are presented for the first three of these. A resonant absorption experiment at the Esub(p) = 2.79 MeV resonance gives for the resonance width GAMMA = 65 +- 20 eV, and also determines the partial widths GAMMAsub(γ), GAMMAsub(p) and GAMMAsub(p1). The level at 7064.3 +- 0.5 keV in 208 Pb has been excited in a resonant absorption experiment by Doppler shifted γ-radiation from the 34 S(p,γ) 35 Cl reaction at Esub(p) = 1974 keV. (Auth.)

  5. Fine structures of atomic excited states: precision atomic spectroscopy and electron-ion collision process

    International Nuclear Information System (INIS)

    Gao Xiang; Cheng Cheng; Li Jiaming

    2011-01-01

    Scientific research fields for future energies such as inertial confinement fusion researches and astrophysics studies especially with satellite observatories advance into stages of precision physics. The relevant atomic data are not only enormous but also of accuracy according to requirements, especially for both energy levels and the collision data. The fine structure of high excited states of atoms and ions can be measured by precision spectroscopy. Such precision measurements can provide not only knowledge about detailed dynamics of electron-ion interactions but also a bench mark examination of the accuracy of electron-ion collision data, especially incorporating theoretical computations. We illustrate that by using theoretical calculation methods which can treat the bound states and the adjacent continua on equal footing. The precision spectroscopic measurements of excited fine structures can be served as stringent tests of electron-ion collision data. (authors)

  6. Excited states configurations of the quantum Toda lattice

    International Nuclear Information System (INIS)

    Matsuyama, A.

    2001-01-01

    Excited states configurations of the quantum Toda lattice are studied by the direct diagonalization of the Hamiltonian. The most probable configurations of one-hole and one-particle excitations are shown to be similar to the profiles of classical phonon and soliton excitations, respectively. One-hole excitation states, which are always ground states of definite E m -symmetry of the dihedral group D N , change those structures abruptly with the potential range varied. One-particle excitations, which are buried in complicated excitation spectra, have well-defined configurations similar to the conoidal profile of the classical periodic Toda lattice. The relationship that the hole (particle) excitations in quantum mechanics correspond to the phonon (soliton) excitations in classical mechanics, which has been suggested based on the similarity of dispersion relations, is confirmed in a geometrically understandable way. Based on the study of one-soliton and two-soliton states, the structure of multi-soliton states in quantum mechanics can be conjectured

  7. Excited states rotational effects on the behavior of excited molecules

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 7 is a collection of papers that discusses the excited states of molecules. The first paper reviews the rotational involvement in intra-molecular in vibrational redistribution. This paper analyzes the vibrational Hamiltonian as to its efficacy in detecting the manifestations of intra-molecular state-mixing in time-resolved and time-averaged spectroscopic measurements. The next paper examines the temporal behavior of intra-molecular vibration-rotation energy transfer (IVRET) and the effects of IVRET on collision, reaction, and the decomposition processes. This paper also

  8. Probing the Vibrational Spectroscopy of the Deprotonated Thymine Radical by Photodetachment and State-Selective Autodetachment Photoelectron Spectroscopy via Dipole-Bound States

    Science.gov (United States)

    Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng

    2016-06-01

    Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)

  9. Search for quasi bound η mesons

    International Nuclear Information System (INIS)

    Machner, H

    2015-01-01

    The search for a quasi bound η meson in atomic nuclei is reviewed. This tentative state is studied theoretically as well as experimentally. The theory starts from elastic η nucleon scattering which is derived from production data within some models. From this interaction the η nucleus interaction is derived. Model calculations predict binding energies and widths of the quasi bound state. Another method is to derive the η nucleus interaction from excitation functions of η production experiments. The s wave interaction is extracted from such data via final state interaction (FSI) theorem. We give the derivation of s wave amplitudes in partial wave expansion and in helicity amplitudes and their relation to observables. Different experiments extracting the FSI are discussed as are production experiments. So far only three experiments give evidence for the existence of the quasi bound state: a pion double charge exchange experiment, an effective mass measurement, and a transfer reaction at recoil free kinematics with observation of the decay of the state. (topical review)

  10. Electric quadrupole excitation of the first excited state of 11B

    International Nuclear Information System (INIS)

    Fewell, M.P.; Spear, R.H.; Zabel, T.H.; Baxter, A.M.

    1980-02-01

    The Coulomb excitation of backscattered 11 B projectiles has been used to measure the reduced E2 transition probability B(E2; 3/2 - →1/2 - ) between the 3/2 - ground state and the 1/2 - first excited state of 11 B. It is found that B(E2; 3/2 - →1/2 - ) = 2.1 +- 0.4 e 2 fm 4 , which agrees with shell-model predictions but is a factor of 10 larger than the prediction of the core-excitation model

  11. Scattering theory methods for bound state problems

    International Nuclear Information System (INIS)

    Raphael, R.B.; Tobocman, W.

    1978-01-01

    For the analysis of the properties of a bound state system one may use in place of the Schroedinger equation the Lippmann-Schwinger (LS) equation for the wave function or the LS equation for the reactance operator. Use of the LS equation for the reactance operator constrains the solution to have correct asymptotic behaviour, so this approach would appear to be desirable when the bound state wave function is to be used to calculate particle transfer form factors. The Schroedinger equation based N-level analysis of the s-wave bound states of a square well is compared to the ones based on the LS equation. It is found that the LS equation methods work better than the Schroedinger equation method. The method that uses the LS equation for the wave function gives the best results for the wave functions while the method that uses the LS equation for the reactance operator gives the best results for the binding energies. The accuracy of the reactance operator based method is remarkably insensitive to changes in the oscillator constant used for the harmonic oscillator function basis set. It is also remarkably insensitive to the number of nodes in the bound state wave function. (Auth.)

  12. Bound States in the Mirror TBA

    NARCIS (Netherlands)

    Arutyunov, G.E.; Frolov, S.; van Tongeren, S.J.

    2012-01-01

    The spectrum of the light-cone AdS_5 \\times S^5 superstring contains states composed of particles with complex momenta including in particular those which turn into bound states in the decompactification limit. We propose the mirror TBA description for these states. We focus on a three-particle

  13. Excitation equilibria in plasmas; a classification

    International Nuclear Information System (INIS)

    Mullen, J.A.M. van der

    1990-01-01

    This review gives a classification of the excitation kinetics ruled by electrons in plasmas. It is a study on the atomic state distribution function (ASDF) and its relation with underlying processes, which, for the case of an electron excitation kinetics (EEK) plasma, is merely a competition between free and bound electrons, the same particles in different circumstances. In a quasi steady state the population density of an atomic state results from production-destruction balances in equilibrium. If all balances are proper, i.e., consist of each other's inverse processes, then the ASDF is described by the Boltzmann-Saha relation. In other cases the balance will be denoted as improper, the ASDF will deviate from the equilibrium shape, but reflecting the underlying improper balances, it may give information about the plasma. Four improper balances and their impact on the ASDF are dealt with. An important feature is that improper balances are associated with particle transport. Special attention is paid to the distribution function of the excitation saturation balance in which the overpopulated bound electrons are subjected to frequent interactions with free electrons and the energy distribution of the free electrons is taken over. This distribution, denoted as the bound Maxwell distribution, is experimentally found in several ionizing plasmas. Its recombining counterpart, the deexcitation saturation balance, creates under certain conditions inversion in the ASDF, the basis for the recombination laser. (orig.)

  14. A note on calm excited states of inflation

    International Nuclear Information System (INIS)

    Ashoorioon, Amjad; Shiu, Gary

    2011-01-01

    We identify a two-parameter family of excited states within slow-roll inflation for which either the corrections to the two-point function or the characteristic signatures of excited states in the three-point function — i.e. the enhancement for the flattened momenta configurations– are absent. These excited states may nonetheless violate the adiabaticity condition maximally. We dub these initial states of inflation calm excited states. We show that these two sets do not intersect, i.e., those that leave the power-spectrum invariant can be distinguished from their bispectra, and vice versa. The same set of calm excited states that leave the two-point function invariant for slow-roll inflation, do the same task for DBI inflation. However, at the level of three-point function, the calm excited states whose flattened configuration signature is absent for slow-roll inflation, will lead to an enhancement for DBI inflation generally, although the signature is smaller than what suggested by earlier analysis. This example also illustrates that imposing the Wronskian condition is important for obtaining a correct estimate of the non-Gaussian signatures

  15. Multiple-Pulse Operation and Bound States of Solitons in Passive Mode-Locked Fiber Lasers

    Directory of Open Access Journals (Sweden)

    A. Komarov

    2012-01-01

    Full Text Available We present results of our research on a multiple-pulse operation of passive mode-locked fiber lasers. The research has been performed on basis of numerical simulation. Multihysteresis dependence of both an intracavity energy and peak intensities of intracavity ultrashort pulses on pump power is found. It is shown that the change of a number of ultrashort pulses in a laser cavity can be realized by hard as well as soft regimes of an excitation and an annihilation of new solitons. Bound steady states of interacting solitons are studied for various mechanisms of nonlinear losses shaping ultrashort pulses. Possibility of coding of information on basis of soliton trains with various bonds between neighboring pulses is discussed. The role of dispersive wave emitted by solitons because of lumped intracavity elements in a formation of powerful soliton wings is analyzed. It is found that such powerful wings result in large bounding energies of interacting solitons in steady states. Various problems of a soliton interaction in passive mode-locked fiber lasers are discussed.

  16. Investigations of the potential functions of weakly bound diatomic molecules and laser-assisted excitive Penning ionization

    Energy Technology Data Exchange (ETDEWEB)

    Goble, J.H. Jr.

    1982-05-01

    Three variations on the Dunham series expansion function of the potential of a diatomic molecule are compared. The differences among these expansions lie in the choice of the expansion variable, lambda. The functional form of these variables are lambda/sub s/ = l-r/sub e//r for the Simon-Parr-Finlan version, lambda/sub T/ - 1-(r/sub e//r)/sup p/ for that of Thakkar, and lambda/sub H/ = 1-exp(-rho(r/r/sub e/-1) for that of Huffaker. A wide selection of molecular systems are examined. It is found that, for potentials in excess of thirty kcal/mole, the Huffaker expansion provides the best description of the three, extrapolating at large internuclear separation to a value within 10% of the true dissociation energy. For potentials that result from the interaction of excited states, all series expansions show poor behavior away from the equilibrium internuclear separation of the molecule. The series representation of the potentials of weakly bound molecules are examined in more detail. The ground states of BeAr/sup +/, HeNe/sup +/, NaAr, and Ar/sub 2/ and the excited states of HeNe+, NaNe, and NaAr are best described by the Thakkar expansion. Finally, the observation of laser-assisted excitive Penning ionization in a flowing afterglow is reported. The reaction Ar(/sup 3/P/sub 2/) + Ca + h nu ..-->.. Ar + Ca/sup +/(5p /sup 2/P/sub J/) + e/sup -/ occurs when the photon energy, h nu, is approximately equal to the energy difference between the metastable argon and one of the fine structure levels of the ion's doublet. By monitoring the cascade fluorescence of the above reaction and comparing it to the flourescence from the field-free process Ar(/sup 3/P/sub 2/) + Ca ..-->.. Ar + Ca/sup +/(4p /sup 2/P/sub J/) + e/sup -/ a surprisingly large cross section of 6.7 x 10/sup 3/ A/sup 2/ is estimated.

  17. Investigations of the potential functions of weakly bound diatomic molecules and laser-assisted excitive Penning ionization

    International Nuclear Information System (INIS)

    Goble, J.H. Jr.

    1982-05-01

    Three variations on the Dunham series expansion function of the potential of a diatomic molecule are compared. The differences among these expansions lie in the choice of the expansion variable, lambda. The functional form of these variables are lambda/sub s/ = l-r/sub e//r for the Simon-Parr-Finlan version, lambda/sub T/ - 1-(r/sub e//r)/sup p/ for that of Thakkar, and lambda/sub H/ = 1-exp(-rho(r/r/sub e/-1) for that of Huffaker. A wide selection of molecular systems are examined. It is found that, for potentials in excess of thirty kcal/mole, the Huffaker expansion provides the best description of the three, extrapolating at large internuclear separation to a value within 10% of the true dissociation energy. For potentials that result from the interaction of excited states, all series expansions show poor behavior away from the equilibrium internuclear separation of the molecule. The series representation of the potentials of weakly bound molecules are examined in more detail. The ground states of BeAr + , HeNe + , NaAr, and Ar 2 and the excited states of HeNe+, NaNe, and NaAr are best described by the Thakkar expansion. Finally, the observation of laser-assisted excitive Penning ionization in a flowing afterglow is reported. The reaction Ar( 3 P 2 ) + Ca + h nu → Ar + Ca + (5p 2 P/sub J/) + e - occurs when the photon energy, h nu, is approximately equal to the energy difference between the metastable argon and one of the fine structure levels of the ion's doublet. By monitoring the cascade fluorescence of the above reaction and comparing it to the flourescence from the field-free process Ar( 3 P 2 ) + Ca → Ar + Ca + (4p 2 P/sub J/) + e - a surprisingly large cross section of 6.7 x 10 3 A 2 is estimated

  18. Process to produce excited states of atomic nuclei

    International Nuclear Information System (INIS)

    Morita, M.; Morita, R.

    The claims of a patented process which relates to the production of excited states of atomic nuclei are outlined. Among these are (1) production of nuclear excited states by bombarding the atoms with x rays or electrons under given conditions, (2) production of radioactive substances by nuclear excitation with x rays or electrons, (3) separation of specific isotopes from a mixture of isotopes of the same element by means of nuclear excitation followed by chemical treatment. The invention allows production of excited states of atomic nuclei in a relatively simple manner without the need of large apparatus and equipment

  19. A note on BPS vortex bound states

    Directory of Open Access Journals (Sweden)

    A. Alonso-Izquierdo

    2016-02-01

    Full Text Available In this note we investigate bound states, where scalar and vector bosons are trapped by BPS vortices in the Abelian Higgs model with a critical ratio of the couplings. A class of internal modes of fluctuation around cylindrically symmetric BPS vortices is characterized mathematically, analyzing the spectrum of the second-order fluctuation operator when the Higgs and vector boson masses are equal. A few of these bound states with low values of quantized magnetic flux are described fully, and their main properties are discussed.

  20. A note on BPS vortex bound states

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Izquierdo, A., E-mail: alonsoiz@usal.es [Departamento de Matematica Aplicada, Universidad de Salamanca (Spain); Garcia Fuertes, W., E-mail: wifredo@uniovi.es [Departamento de Fisica, Universidad de Oviedo (Spain); Mateos Guilarte, J., E-mail: guilarte@usal.es [Departamento de Fisica Fundamental, Universidad de Salamanca (Spain)

    2016-02-10

    In this note we investigate bound states, where scalar and vector bosons are trapped by BPS vortices in the Abelian Higgs model with a critical ratio of the couplings. A class of internal modes of fluctuation around cylindrically symmetric BPS vortices is characterized mathematically, analyzing the spectrum of the second-order fluctuation operator when the Higgs and vector boson masses are equal. A few of these bound states with low values of quantized magnetic flux are described fully, and their main properties are discussed.

  1. Photoionization of excited molecular states using multiphoton excitation techniques

    International Nuclear Information System (INIS)

    Dehmer, P.M.; Pratt, S.T.; Dehmer, J.L.

    1984-01-01

    Photoelectron spectra are reported for three photon resonant, four photon ionization of H 2 via the B 1 Σ + /sub u/, v = 7 (J = 2,4) and C 1 Pi/sub u/, v = 0-4 (J = 1) levels and of N 2 via the o 3 1 Pi/sub u/, v = 1,2, b 1 Pi/sub u/, v = 3-5, and c 1 Pi/sub u/, v = 0 levels. The results reflect both the spectroscopy and the dynamics of photoionization of excited molecular states and are discussed in terms of the selection rules for photoionization and the relative probabilities of photoionization from Rydberg and valence states. In some cases, in accordance with the Franck-Condon principle, the results demonstrate that resonant multiphoton ionization through Rydberg states may be a powerful technique for the production of electronic, vibrational, and rotational state selected ions. However, in other cases, systematic departures from Franck-Condon factors are observed, which reflect the more subtle dynamics of excited state photoionization

  2. Volume dependence of N-body bound states

    Science.gov (United States)

    König, Sebastian; Lee, Dean

    2018-04-01

    We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any number of spatial dimensions. The only assumptions are that the interactions have finite range. The finite-volume correction is a sum of contributions from all possible breakup channels. In the case where the separation is into two bound clusters, our result gives the leading volume dependence up to exponentially small corrections. If the separation is into three or more clusters, there is a power-law factor that is beyond the scope of this work, however our result again determines the leading exponential dependence. We also present two independent methods that use finite-volume data to determine asymptotic normalization coefficients. The coefficients are useful to determine low-energy capture reactions into weakly bound states relevant for nuclear astrophysics. Using the techniques introduced here, one can even extract the infinite-volume energy limit using data from a single-volume calculation. The derived relations are tested using several exactly solvable systems and numerical examples. We anticipate immediate applications to lattice calculations of hadronic, nuclear, and cold atomic systems.

  3. Ultrafast excited state relaxation in long-chain polyenes

    International Nuclear Information System (INIS)

    Antognazza, Maria Rosa; Lueer, Larry; Polli, Dario; Christensen, Ronald L.; Schrock, Richard R.; Lanzani, Guglielmo; Cerullo, Giulio

    2010-01-01

    Graphical abstract: Excited state dynamics of a long-chain polyene studied by femtosecond pump-probe spectroscopy. - Abstract: We present a comprehensive study, by femtosecond pump-probe spectroscopy, of excited state dynamics in a polyene that approaches the infinite chain limit. By excitation with sub-10-fs pulses resonant with the 0-0 S 0 → S 2 transition, we observe rapid loss of stimulated emission from the bright excited state S 2 , followed by population of the hot S 1 state within 150 fs. Vibrational cooling of S 1 takes place within 500 fs and is followed by decay back to S 0 with 1 ps time constant. By excitation with excess vibrational energy we also observe the ultrafast formation of a long-living absorption, that is assigned to the triplet state generated by singlet fission.

  4. Relativistic bound-state problem of a one-dimensional system

    International Nuclear Information System (INIS)

    Sato, T.; Niwa, T.; Ohtsubo, H.; Tamura, K.

    1991-01-01

    A Poincare-covariant description of the two-body bound-state problem in one-dimensional space is studied by using the relativistic Schrodinger equation. We derive the many-body Hamiltonian, electromagnetic current and generators of the Poincare group in the framework of one-boson exchange. Our theory satisfies Poincare algebra within the one-boson-exchange approximation. We numerically study the relativistic effects on the bound-state wavefunction and the elastic electromagnetic form factor. The Lorentz boost of the bound-state wavefunction and the two-body exchange current are shown to play an important role in guaranteeing the Lorentz invariance of the form factor. (author)

  5. 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...

  6. D0-D4 brane tachyon condensation to a BPS state and its excitation spectrum in noncommutative super Yang-Mills theory

    International Nuclear Information System (INIS)

    Wimmer, Robert

    2005-01-01

    We investigate the D0-D4-brane system for different B-field backgrounds including the small instanton singularity in noncommutative SYM theory. We discuss the excitation spectrum of the unstable state as well as for the BPS D0-D4 bound state. We compute the tachyon potential which reproduces the complete mass defect. The relevant degrees of freedom are the massless (4,4) strings. Both results are in contrast with existing string field theory calculations. The excitation spectrum of the small instanton is found to be equal to the excitation spectrum of the fluxon solution on R θ 2 x R which we trace back to T-duality. For the effective theory of the (0,0) string excitations we obtain a BFSS matrix model. The number of states in the instanton background changes significantly when the B-field becomes self-dual. This leads us to the proposal of the existence of a phase transition or cross over at self-dual B-field

  7. Remote information concentration by a Greenberger-Horne-Zeilinger state and by a bound entangled state

    International Nuclear Information System (INIS)

    Yu, Yafei; Zhan, Mingsheng; Feng, Jian

    2003-01-01

    We compare remote quantum information concentration by a Greenberger-Horne-Zeilinger (GHZ) state with an unlockable bound entangled state. We find that in view of communication security the bound entangled state works better than the GHZ state

  8. Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

    International Nuclear Information System (INIS)

    Theophilou, Iris; Tassi, M.; Thanos, S.

    2014-01-01

    Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and computationally inexpensive treatment of charge-transfer excitations is a topic that nowadays attracts a lot of scientific attention. In this paper we extend an approach recently introduced for the description of single and double excitations [M. Tassi, I. Theophilou, and S. Thanos, Int. J. Quantum Chem. 113, 690 (2013); M. Tassi, I. Theophilou, and S. Thanos, J. Chem. Phys. 138, 124107 (2013)] to allow for the description of intermolecular charge-transfer excitations. We describe an excitation where an electron is transferred from a donor system to an acceptor one, keeping the excited state orthogonal to the ground state and avoiding variational collapse. These conditions are achieved by decomposing the space spanned by the Hartree-Fock (HF) ground state orbitals into four subspaces: The subspace spanned by the occupied orbitals that are localized in the region of the donor molecule, the corresponding for the acceptor ones and two more subspaces containing the virtual orbitals that are localized in the neighborhood of the donor and the acceptor, respectively. Next, we create a Slater determinant with a hole in the subspace of occupied orbitals of the donor and a particle in the virtual subspace of the acceptor. Subsequently we optimize both the hole and the particle by minimizing the HF energy functional in the corresponding subspaces. Finally, we test our approach by calculating the lowest charge-transfer excitation energies for a set of tetracyanoethylene-hydrocarbon complexes that have been used earlier as a test set for such kind of excitations

  9. 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

    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....

  10. Multimode optical fibers: steady state mode exciter.

    Science.gov (United States)

    Ikeda, M; Sugimura, A; Ikegami, T

    1976-09-01

    The steady state mode power distribution of the multimode graded index fiber was measured. A simple and effective steady state mode exciter was fabricated by an etching technique. Its insertion loss was 0.5 dB for an injection laser. Deviation in transmission characteristics of multimode graded index fibers can be avoided by using the steady state mode exciter.

  11. Effect of Bound Entanglement on the Convertibility of Pure States

    International Nuclear Information System (INIS)

    Ishizaka, Satoshi

    2004-01-01

    I show that bound entanglement strongly influences the quantum entanglement processing of pure states: If N distant parties share appropriate bound entangled states with positive partial transpose, all N-partite pure entangled states become inter-convertible by stochastic local operations and classical communication (SLOCC) at the single copy level. This implies that the Schmidt rank of a bipartite pure entangled state can be increased, and that two incomparable tripartite entanglement of the GHZ and W type can be inter-converted by the assistance of bound entanglement. Further, I propose the simplest experimental scheme for the demonstration of the corresponding bound-entanglement-assisted SLOCC. This scheme does not need quantum gates and is feasible for the current experimental technology of linear optics

  12. Bound states in weakly disordered spin ladders

    Energy Technology Data Exchange (ETDEWEB)

    Arlego, M. [Departamento de Fisica, Universidad Nacional de La Plata, CC 67 (1900) La Plata (Argentina)]. E-mail: arlego@venus.fisica.unlp.edu.ar; Brenig, W. [Institut fuer Theoretische Physik, Technische Universitaet Braunschweig (Germany); Cabra, D.C. [Laboratoire de Physique Theorique, Universite Louis Pasteur Strasbourg (France); Heidrich-Meisner, F. [Institut fuer Theoretische Physik, Technische Universitaet Braunschweig (Germany); Honecker, A. [Institut fuer Theoretische Physik, Technische Universitaet Braunschweig (Germany); Rossini, G. [Departamento de Fisica, Universidad Nacional de La Plata, CC 67 (1900) La Plata (Argentina)

    2005-04-30

    We study the appearance of bound states in the spin gap of spin-12 ladders induced by weak bond disorder. Starting from the strong-coupling limit, i.e., the limit of weakly coupled dimers, we perform a projection on the single-triplet subspace and derive the position of bound states for the single impurity problem of one modified coupling as well as for small impurity clusters. The case of a finite concentration of impurities is treated with the coherent-potential approximation (CPA) in the strong-coupling limit and compared with numerical results. Further, we analyze the details in the structure of the density of states and relate their origin to the influence of impurity clusters.

  13. Bounds on the entanglement attainable from unitary transformed thermal states in liquid-state nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Yu, Terri M.; Brown, Kenneth R.; Chuang, Isaac L.

    2005-01-01

    The role of mixed-state entanglement in liquid-state nuclear magnetic resonance (NMR) quantum computation is not yet well understood. In particular, despite the success of quantum-information processing with NMR, recent work has shown that quantum states used in most of those experiments were not entangled. This is because these states, derived by unitary transforms from the thermal equilibrium state, were too close to the maximally mixed state. We are thus motivated to determine whether a given NMR state is entanglable - that is, does there exist a unitary transform that entangles the state? The boundary between entanglable and nonentanglable thermal states is a function of the spin system size N and its temperature T. We provide bounds on the location of this boundary using analytical and numerical methods; our tightest bound scales as N∼T, giving a lower bound requiring at least N∼22 000 proton spins to realize an entanglable thermal state at typical laboratory NMR magnetic fields. These bounds are tighter than known bounds on the entanglability of effective pure states

  14. Photoionization of excited molecular states using multiphoton excitation techniques

    International Nuclear Information System (INIS)

    Dehmer, P.M.; Pratt, S.T.; Dehmer, J.L.

    1984-01-01

    Photoelectron spectra are reported for three photon resonant, four photon ionization of H 2 via the B 1 Σ/sub u/ + , v = 7 (J = 2,4) and C 1 π/sub u'/, v = 0-4 (J = 1) levels and of N 2 via the o 3 1 π/sub u'/, v = 1,2, b 1 π/sub u'/, v = 3-5, and c 1 π/sub u'/, v = 0 levels. The results reflect both the spectroscopy and the dynamics of photoionization of excited molecular states and are discussed in terms of the selection rules for photoionization and the relative probabilities of photoionization from Rydberg and valence states. In some cases, in accordance with the Franck-Condon principle, the results demonstrate that resonant multiphoton ionization through Rydberg states may be a powerful technique for the production of electronic, vibrational, and rotational state selected ions. However, in other cases, systematic departures from Franck-Condon factors are observed, which reflect the more subtle dynamics of excited state photoionization. 23 references, 6 figures, 2 tables

  15. Low-lying excited states by constrained DFT

    Science.gov (United States)

    Ramos, Pablo; Pavanello, Michele

    2018-04-01

    Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a variational method for calculating low-lying excited states of molecular systems. We dub this method eXcited CDFT (XCDFT). Excited states are obtained by self-consistently constraining a user-defined population of electrons, Nc, in the virtual space of a reference set of occupied orbitals. By imposing this population to be Nc = 1.0, we computed the first excited state of 15 molecules from a test set. Our results show that XCDFT achieves an accuracy in the predicted excitation energy only slightly worse than linear-response time-dependent DFT (TDDFT), but without incurring into problems of variational collapse typical of the more commonly adopted ΔSCF method. In addition, we selected a few challenging processes to test the limits of applicability of XCDFT. We find that in contrast to TDDFT, XCDFT is capable of reproducing energy surfaces featuring conical intersections (azobenzene and H3) with correct topology and correct overall energetics also away from the intersection. Venturing to condensed-phase systems, XCDFT reproduces the TDDFT solvatochromic shift of benzaldehyde when it is embedded by a cluster of water molecules. Thus, we find XCDFT to be a competitive method among single-reference methods for computations of excited states in terms of time to solution, rate of convergence, and accuracy of the result.

  16. Maximum and minimum entropy states yielding local continuity bounds

    Science.gov (United States)

    Hanson, Eric P.; Datta, Nilanjana

    2018-04-01

    Given an arbitrary quantum state (σ), we obtain an explicit construction of a state ρɛ * ( σ ) [respectively, ρ * , ɛ ( σ ) ] which has the maximum (respectively, minimum) entropy among all states which lie in a specified neighborhood (ɛ-ball) of σ. Computing the entropy of these states leads to a local strengthening of the continuity bound of the von Neumann entropy, i.e., the Audenaert-Fannes inequality. Our bound is local in the sense that it depends on the spectrum of σ. The states ρɛ * ( σ ) and ρ * , ɛ (σ) depend only on the geometry of the ɛ-ball and are in fact optimizers for a larger class of entropies. These include the Rényi entropy and the minimum- and maximum-entropies, providing explicit formulas for certain smoothed quantities. This allows us to obtain local continuity bounds for these quantities as well. In obtaining this bound, we first derive a more general result which may be of independent interest, namely, a necessary and sufficient condition under which a state maximizes a concave and Gâteaux-differentiable function in an ɛ-ball around a given state σ. Examples of such a function include the von Neumann entropy and the conditional entropy of bipartite states. Our proofs employ tools from the theory of convex optimization under non-differentiable constraints, in particular Fermat's rule, and majorization theory.

  17. Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states

    International Nuclear Information System (INIS)

    Guichard, R.

    2007-12-01

    We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when ℎω > I p : it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with ℎω p : new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

  18. Bound states of 'dressed' particles

    International Nuclear Information System (INIS)

    Shirokov, M.I.

    1994-01-01

    A new approach to the problem of bound states in relativistic quantum field theories is suggested. It uses the creation - destruction operators of 'dresses' particles which have been granted by Faddeev's (1963) 'dressing' formalism. Peculiarities of the proposed approach as compared to the known ones are discussed. 8 refs. (author)

  19. Majorana bound states in a disordered quantum dot chain

    International Nuclear Information System (INIS)

    Zhang, P; Nori, Franco

    2016-01-01

    We study Majorana bound states in a disordered chain of semiconductor quantum dots proximity-coupled to an s -wave superconductor. By calculating its topological quantum number, based on the scattering-matrix method and a tight-binding model, we can identify the topological property of such an inhomogeneous one-dimensional system. We study the robustness of Majorana bound states against disorder in both the spin-independent terms (including the chemical potential and the regular spin-conserving hopping) and the spin-dependent term, i.e., the spin-flip hopping due to the Rashba spin–orbit coupling. We find that the Majorana bound states are not completely immune to the spin-independent disorder, especially when the latter is strong. Meanwhile, the Majorana bound states are relatively robust against spin-dependent disorder, as long as the spin-flip hopping is of uniform sign (i.e., the varying spin-flip hopping term does not change its sign along the chain). Nevertheless, when the disorder induces sign-flip in spin-flip hopping, the topological-nontopological phase transition takes place in the low-chemical-potential region. (paper)

  20. Exchange interaction in scattering on the bound state

    International Nuclear Information System (INIS)

    Arkhipov, A.A.; Savrin, V.I.

    1975-01-01

    In the framework of the one-time formulation of three-body problem in quantum field theory, the problem of scattering on the bound state is considered for the case when one of the incident particles is identical to one of the particles of the target. It is shown that due to the identical nature of these particles the exchange interaction takes place which can be connected with the mechanism of scattering on the bound state with the rearrangement

  1. Localized excitations and the geometry of the 1nπ* excited states of pyrazine

    International Nuclear Information System (INIS)

    Kleier, D.A.; Martin, R.L.; Wadt, W.R.; Moomaw, W.R.

    1982-01-01

    Previous theoretical work has shown that the lowest excited singlet state of pyrazine, the π* 1 B 3 u state, is best described in terms of interacting excitations localized on each nitrogen. The present work refines the localized excitation model and considers its implications for the geometry of the 1 B 3 u state. Hartree-Fock calculations show that the best single configuration description of the nπ* state has broken ( 1 B 1 ) symmetry with the excitation strongly localized at one end of the molcule. If the symmetry-restricted hf result is used for reference, this localization describes an important correlation effect. The excited-state geometry was probed using configuration interaction wave functions based on the symmetry-restricted orbitals, as well as properly symmetrized ''valance-bond'' wave functions based on the broken symmetry solutions. Both descriptions lead to a very flat potential for a b/sub 1u/ vibrational mode. This mode reduces the molecular geometry from D/sub 2h/ to C/sub 2v/. We present spectroscopic evidence of our own and of other workers which is consistent with such a flat potential

  2. Rydberg energies using excited state density functional theory

    International Nuclear Information System (INIS)

    Cheng, C.-L.; Wu Qin; Van Voorhis, Troy

    2008-01-01

    We utilize excited state density functional theory (eDFT) to study Rydberg states in atoms. We show both analytically and numerically that semilocal functionals can give quite reasonable Rydberg energies from eDFT, even in cases where time dependent density functional theory (TDDFT) fails catastrophically. We trace these findings to the fact that in eDFT the Kohn-Sham potential for each state is computed using the appropriate excited state density. Unlike the ground state potential, which typically falls off exponentially, the sequence of excited state potentials has a component that falls off polynomially with distance, leading to a Rydberg-type series. We also address the rigorous basis of eDFT for these systems. Perdew and Levy have shown using the constrained search formalism that every stationary density corresponds, in principle, to an exact stationary state of the full many-body Hamiltonian. In the present context, this means that the excited state DFT solutions are rigorous as long as they deliver the minimum noninteracting kinetic energy for the given density. We use optimized effective potential techniques to show that, in some cases, the eDFT Rydberg solutions appear to deliver the minimum kinetic energy because the associated density is not pure state v-representable. We thus find that eDFT plays a complementary role to constrained DFT: The former works only if the excited state density is not the ground state of some potential while the latter applies only when the density is a ground state density.

  3. Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.

    Science.gov (United States)

    Nyblom, Maria; Poulsen, Hanne; Gourdon, Pontus; Reinhard, Linda; Andersson, Magnus; Lindahl, Erik; Fedosova, Natalya; Nissen, Poul

    2013-10-04

    The Na(+), K(+)-adenosine triphosphatase (ATPase) maintains the electrochemical gradients of Na(+) and K(+) across the plasma membrane--a prerequisite for electrical excitability and secondary transport. Hitherto, structural information has been limited to K(+)-bound or ouabain-blocked forms. We present the crystal structure of a Na(+)-bound Na(+), K(+)-ATPase as determined at 4.3 Å resolution. Compared with the K(+)-bound form, large conformational changes are observed in the α subunit whereas the β and γ subunit structures are maintained. The locations of the three Na(+) sites are indicated with the unique site III at the recently suggested IIIb, as further supported by electrophysiological studies on leak currents. Extracellular release of the third Na(+) from IIIb through IIIa, followed by exchange of Na(+) for K(+) at sites I and II, is suggested.

  4. Partial radiative recombination cross sections for excited states of hydrogen

    International Nuclear Information System (INIS)

    Fazio, P.M.

    1984-01-01

    In calculating the radiative recombination cross sections for interstellar H II regions, usually only the electric dipole term in the expansion of the interaction Hamiltonian is kept. The dipole and quadrupole transition strengths in closed analytical form are calculated here using the Coulomb wave functions because results for any electron energy and for recombination into any angular momentum state of hydrogen are needed. Several interesting effects are found. First, the transition probabilities are maximum for recombination into specific intermediate angular momentum states at low energies (w < 2eV) and where the free state angular momentum is greater than that of the bound state. Further, that specific intermediate angular momentum state depends on the kinetic energy of the free electron. This behavior is in contrast to the normal behavior of the transition strengths where recombination into s states is greatest and decreases with increasing angular momentum. Second, the quadrupole matrix elements vanish for certain velocities of the free electron. This leads to minima in the corresponding quadrupole cross sections when plotted as a function of the free electron's kinetic energy. Finally, the partial cross sections for highly excited states are greater than previously calculated because of the additional effects of the quadrupole transitions

  5. Effects of QCD bound states on dark matter relic abundance

    Energy Technology Data Exchange (ETDEWEB)

    Liew, Seng Pei [Department of Physics, The University of Tokyo,Bunkyo-ku, Tokyo 113-0033 (Japan); Luo, Feng [Kavli IPMU (WPI), UTIAS, The University of Tokyo,Kashiwa, Chiba 277-8583 (Japan)

    2017-02-17

    We study scenarios where there exists an exotic massive particle charged under QCD in the early Universe. We calculate the formation and dissociation rates of bound states formed by pairs of these particles, and apply the results in dark matter (DM) coannihilation scenarios, including also the Sommerfeld effect. We find that on top of the Sommerfeld enhancement, bound-state effects can further significantly increase the largest possible DM masses which can give the observed DM relic abundance, by ∼30–100% with respect to values obtained by considering the Sommerfeld effect only, for the color triplet or octet exotic particles we consider. In particular, it indicates that the Bino DM mass in the right-handed stop-Bino coannihilation scenario in the Minimal Supersymmetric extension of the Standard Model (MSSM) can reach ∼2.5 TeV, even though the potential between the stop and antistop prior to forming a bound state is repulsive. We also apply the bound-state effects in the calculations of relic abundance of long-lived or metastable massive colored particles, and discuss the implications on the BBN constraints and the abundance of a super-weakly interacting DM. The corrections for the bound-state effect when the exotic massive colored particles also carry electric charges, and the collider bounds are also discussed.

  6. Collective excitation frequencies and vortices of a Bose-Einstein condensed state with gravitylike interatomic attraction

    International Nuclear Information System (INIS)

    Ghosh, Tarun Kanti

    2002-01-01

    We study the collective excitations of a neutral atomic Bose-Einstein condensate with gravitylike 1/r interatomic attraction induced by an electromagnetic wave. Using the time-dependent variational approach, we derive an analytical spectrum for monopole and quadrupole mode frequencies of a gravitylike self-bound Bose condensed state at zero temperature. We also analyze the excitation frequencies of the Thomas-Fermi-gravity (TF-G) and gravity (G) regimes. Our result agrees excellently with that of Giovanazzi et al. [Europhysics Lett., 56, 1 (2001)], which is obtained within the sum-rule approach. We also consider the vortex state. We estimate the superfluid coherence length and the critical angular frequencies to create a vortex around the z axis. We find that the TF-G regime can exhibit the superfluid properties more prominently than the G regime. We find that the monopole mode frequency of the condensate decreases due to the presence of a vortex

  7. Bound states in curved quantum waveguides

    International Nuclear Information System (INIS)

    Exner, P.; Seba, P.

    1987-01-01

    We study free quantum particle living on a curved planar strip Ω of a fixed width d with Dirichlet boundary conditions. It can serve as a model for electrons in thin films on a cylindrical-type substrate, or in a curved quantum wire. Assuming that the boundary of Ω is infinitely smooth and its curvature decays fast enough at infinity, we prove that a bound state with energy below the first transversal mode exists for all sufficiently small d. A lower bound on the critical width is obtained using the Birman-Schwinger technique. (orig.)

  8. The triplet excited state of Bodipy: formation, modulation and application.

    Science.gov (United States)

    Zhao, Jianzhang; Xu, Kejing; Yang, Wenbo; Wang, Zhijia; Zhong, Fangfang

    2015-12-21

    Boron dipyrromethene (Bodipy) is one of the most extensively investigated organic chromophores. Most of the investigations are focused on the singlet excited state of Bodipy, such as fluorescence. In stark contrast, the study of the triplet excited state of Bodipy is limited, but it is an emerging area, since the triplet state of Bodipy is tremendously important for several areas, such as the fundamental photochemistry study, photodynamic therapy (PDT), photocatalysis and triplet-triplet annihilation (TTA) upconversion. The recent developments in the study of the production, modulation and application of the triplet excited state of Bodipy are discussed in this review article. The formation of the triplet state of Bodipy upon photoexcitation, via the well known approach such as the heavy atom effect (including I, Br, Ru, Ir, etc.), and the new methods, such as using a spin converter (e.g. C60), charge recombination, exciton coupling and the doubly substituted excited state, are summarized. All the Bodipy-based triplet photosensitizers show strong absorption of visible or near IR light and the long-lived triplet excited state, which are important for the application of the triplet excited state in PDT or photocatalysis. Moreover, the methods for switching (or modulation) of the triplet excited state of Bodipy were discussed, such as those based on the photo-induced electron transfer (PET), by controlling the competing Förster-resonance-energy-transfer (FRET), or the intermolecular charge transfer (ICT). Controlling the triplet excited state will give functional molecules such as activatable PDT reagents or molecular devices. It is worth noting that switching of the singlet excited state and the triplet state of Bodipy may follow different principles. Application of the triplet excited state of Bodipy in PDT, hydrogen (H2) production, photoredox catalytic organic reactions and TTA upconversion were discussed. The challenges and the opportunities in these areas were

  9. 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.

  10. Resonant and nonresonant transfer and excitation in Si11+ + He collisions

    International Nuclear Information System (INIS)

    Clark, M.W.

    1988-01-01

    For many years now, dielectronic recombination (DR) has been discussed as a possible energy loss mechanism in high temperature plasmas (e.g. stars). The process is basically the inverse Auger process and involves the capture of a free electron by an ion and the simultaneous excitation of an inner shell electron of the ion producing a doubly excited state. The DR process also includes the radiative deexcitation of the ion and hence represents an energy loss from the plasma since the plasma is essentially transparent to the photons. If, instead of a free electron, an electron that is weakly bound to an atom is captured and an inner shell electron of the ion is excited, the same excited states are produced as in DR. Because the bound electrons have a momentum distribution (Compton profile), individual doubly excited states cannot, in general, be observed in this case. This new process has been called Resonant Transfer and Excitation (RTE). There is also a competing mechanism for RTE in which excitation occurs via the interaction between a projectile ion electron and a target nucleus and the capture occurs because of the interaction of the projectile nucleus and a target electron. This competing mechanism has been termed Nonresonant Transfer and Excitation (NTE) Measurements have been performed to measure RTE and NTE cross sections. A discussion of the theory, methods, and results is included

  11. Relativistic bound state approach to fundamental forces including gravitation

    Directory of Open Access Journals (Sweden)

    Morsch H.P.

    2012-06-01

    Full Text Available To describe the structure of particle bound states of nature, a relativistic bound state formalism is presented, which requires a Lagrangian including scalar coupling of two boson fields. The underlying mechanisms are quite complex and require an interplay of overlapping boson fields and fermion-antifermion production. This gives rise to two potentials, a boson-exchange potential and one identified with the long sought confinement potential in hadrons. With minimal requirements, two elementary massless fermions (quantons - with and without charge - and one gauge boson, hadrons and leptons but also atoms and gravitational systems are described by bound states with electric and magnetic coupling between the charges and spins of quantons. No need is found for colour, Higgs-coupling and supersymmetry.

  12. 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;

  13. Excitation of lowest electronic states of thymine by slow electrons

    Science.gov (United States)

    Chernyshova, I. V.; Kontros, E. J.; Markush, P. P.; Shpenik, O. B.

    2013-11-01

    Excitation of lowest electronic states of the thymine molecules in the gas phase is studied by elec- tron energy loss spectroscopy. In addition to dipole-allowed transitions to singlet states, transitions to the lowest triplet states were observed. The low-energy features of the spectrum at 3.66 and 4.61 eV are identified with the excitation of the first triplet states 13 A' (π → π*) and 13 A″ ( n → π*). The higher-lying features at 4.96, 5.75, 6.17, and 7.35 eV are assigned mainly to the excitation of the π → π* transitions to the singlet states of the molecule. The excitation dynamics of the lowest states is studied. It is found that the first triplet state 13 A'(π → π*) is most efficiently excited at a residual energy close to zero, while the singlet 21 A'(π → π*) state is excited with almost identical efficiency at different residual energies.

  14. Dark excitations in monolayer transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Deilmann, Thorsten; Thygesen, Kristian Sommer

    2017-01-01

    Monolayers of transition metal dichalcogenides (TMDCs) possess unique optoelectronic properties, including strongly bound excitons and trions. To date, most studies have focused on optically active excitations, but recent experiments have highlighted the existence of dark states, which are equally...

  15. Majorana bound states in a coupled quantum-dot hybrid-nanowire system

    DEFF Research Database (Denmark)

    Deng, M. T.; Vaitiekenas, S.; Hansen, E. B.

    2016-01-01

    Hybrid nanowires combining semiconductor and superconductor materials appear well suited for the creation, detection, and control of Majorana bound states (MBSs). We demonstrate the emergence of MBSs from coalescing Andreev bound states (ABSs) in a hybrid InAs nanowire with epitaxial Al, using...... with the end-dot bound state, which is in agreement with a numerical model. The ABS/MBS spectra provide parameters that are useful for understanding topological superconductivity in this system....

  16. Relativistic bound states

    International Nuclear Information System (INIS)

    Ritchie, Burke

    2006-01-01

    The Hamiltonian for Dirac's second-order equation depends nonlinearly on the potential V and the energy E. For this reason the magnetic contribution to the Hamiltonian for s-waves, which has a short range, is attractive for a repulsive Coulomb potential (V>0) and repulsive for an attractive Coulomb potential (V 2 . Usually solutions are found in the regime E=mc 2 +ε , where except for high Z, ε 2 . Here it is shown that for V>0 the attractive magnetic term and the linear repulsive term combine to support a bound state near E=0.5mc 2 corresponding to a binding energy E b =-ε =0.5mc 2

  17. Electron-impact excitation and ionization cross sections for ground state and excited helium atoms

    International Nuclear Information System (INIS)

    Ralchenko, Yu.; Janev, R.K.; Kato, T.; Fursa, D.V.; Bray, I.; Heer, F.J. de

    2008-01-01

    Comprehensive and critically assessed cross sections for the electron-impact excitation and ionization of ground state and excited helium atoms are presented. All states (atomic terms) with n≤4 are treated individually, while the states with n≥5 are considered degenerate. For the processes involving transitions to and from n≥5 levels, suitable cross section scaling relations are presented. For a large number of transitions, from both ground and excited states, convergent close coupling calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions, which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in graphical form

  18. Electron-electron bound states in Maxwell-Chern-Simons-Proca QED3

    International Nuclear Information System (INIS)

    Belich, H.; Helayel-Neto, J.A.; Ferreira, M.M. Jr.; Maranhao Univ., Sao Luis, MA

    2002-10-01

    We start from a parity-breaking MCS QED 3 model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e - e - - bound state. Three expressions V eff↓↓ , V eff↓↑ , V eff↓↓ ) are obtained according to the polarization state of the scattered electrons. In an energy scale compatible with condensed matter electronic excitations, these potentials become degenerated. The resulting potential is implemented in the Schroedinger equation and the variational method is applied to carry out the electronic binding energy. The resulting binding energies in the scale of 10-100 meV and a correlation length in the scale of 10 - 30 Angstrom are possible indications that the MCS-QED 3 model adopted may be suitable to address an eventual case of e - e - pairing in the presence of parity-symmetry breakdown. The data analyzed here suggest an energy scale of 10-100 meV to fix the breaking of the U(1)-symmetry. (author)

  19. Kinetic studies following state-selective laser excitation: Annual performance report for the period March 15, 1987-March 14, 1988

    International Nuclear Information System (INIS)

    Keto, J.W.

    1987-11-01

    The objective of this contract is the study of state-to-state, electronic energy transfer reactions following two-photon laser excitation. We have specifically been studying reactions of Xe 5p 5 6p because of their relevance to the XeCl excimer laser. We are studying deactivation reactions in collisions with heavy atoms such as Ar, Kr, and Xe and reactive collisions with chlorides. The reactants are excited by multiphoton laser absorption. Product channels are observed by their fluorescence, or in experiments in the coming months by laser induced fluorescence using a second color laser. Reaction rates are measured by observing the time dependent decay of signals from reactant and product channels. In addition we measure interaction potentials of the reactants by laser spectroscopy where the laser induced fluorescence or ionization is measured as a function of laser wavelength (excitation spectra) or by measuring fluorescence spectra at fixed laser frequencies with monochromators. The spectra are obtained in the form of either lineshapes or individual lines from rovibrational transitions of bound states. 4 figs

  20. Study of a Quantum Dot in an Excited State

    Science.gov (United States)

    Slamet, Marlina; Sahni, Viraht

    We have studied the first excited singlet state of a quantum dot via quantal density functional theory (QDFT). The quantum dot is represented by a 2D Hooke's atom in an external magnetostatic field. The QDFT mapping is from an excited singlet state of this interacting system to one of noninteracting fermions in a singlet ground state. The results of the study will be compared to (a) the corresponding mapping from a ground state of the quantum dot and (b) to the similar mapping from an excited singlet state of the 3D Hooke's atom.

  1. Quasi-bound states, resonance tunnelling, and tunnelling times ...

    Indian Academy of Sciences (India)

    analysis of bound states below the threshold energy E = 0 and continuum above the threshold .... p are time reversal states of each other. Similarly, the ... are occurring at above-barrier energies and we do not treat them as QB states. They can ...

  2. Meson-nucleus potentials and the search for meson-nucleus bound states

    Science.gov (United States)

    Metag, V.; Nanova, M.; Paryev, E. Ya.

    2017-11-01

    Recent experiments studying the meson-nucleus interaction to extract meson-nucleus potentials are reviewed. The real part of the potentials quantifies whether the interaction is attractive or repulsive while the imaginary part describes the meson absorption in nuclei. The review is focused on mesons which are sufficiently long-lived to potentially form meson-nucleus quasi-bound states. The presentation is confined to meson production off nuclei in photon-, pion-, proton-, and light-ion induced reactions and heavy-ion collisions at energies near the production threshold. Tools to extract the potential parameters are presented. In most cases, the real part of the potential is determined by comparing measured meson momentum distributions or excitation functions with collision model or transport model calculations. The imaginary part is extracted from transparency ratio measurements. Results on K+ ,K0 ,K- , η ,η‧ , ω, and ϕ mesons are presented and compared with theoretical predictions. The interaction of K+ and K0 mesons with nuclei is found to be weakly repulsive, while the K- , η ,η‧ , ω and ϕ meson-nucleus potentials are attractive, however, with widely different strengths. Because of meson absorption in the nuclear medium the imaginary parts of the meson-nucleus potentials are all negative, again with a large spread. An outlook on planned experiments in the charm sector is given. In view of the determined potential parameters, the criteria and chances for experimentally observing meson-nucleus quasi-bound states are discussed. The most promising candidates appear to be the η and η‧ mesons.

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

    International Nuclear Information System (INIS)

    Palffy, Adriana; Scheid, Werner; Harman, Zoltan

    2006-01-01

    We investigate the resonant process of nuclear excitation by electron capture (NEEC), in which a continuum electron is captured into a bound state of an ion with the simultaneous excitation of the nucleus. In order to derive the cross section a Feshbach projection operator formalism is introduced. Nuclear states and transitions are described by a nuclear collective model and making use of experimental data. Transition rates and total cross sections for NEEC followed by the radiative decay of the excited nucleus are calculated for various heavy-ion collision systems

  4. Relativistic bound states: a mass formula for vector mesons

    International Nuclear Information System (INIS)

    Richard, J.L.; Sorba, P.

    1975-07-01

    In the framework of a relativistic description of two particles bound states, a mass formula for vector mesons considered as quark-antiquark systems bound by harmonic oscillator like forces is proposed. Results in good agreement with experimental values are obtained [fr

  5. Ultrafast excited-state dynamics of 2,5-dimethylpyrrole.

    Science.gov (United States)

    Yang, Dongyuan; Min, Yanjun; Chen, Zhichao; He, Zhigang; Yuan, Kaijun; Dai, Dongxu; Yang, Xueming; Wu, Guorong

    2018-04-17

    The ultrafast excited-state dynamics of 2,5-dimethylpyrrole following excitation at wavelengths in the range of 265.7-216.7 nm is studied using the time-resolved photoelectron imaging method. It is found that excitation at longer wavelengths (265.7-250.2 nm) results in the population of the S1(1πσ*) state, which decays out of the photoionization window in about 90 fs. At shorter pump wavelengths (242.1-216.7 nm), the assignments are less clear-cut. We tentatively assign the initially photoexcited state(s) to the 1π3p Rydberg state(s) which has lifetimes of 159 ± 20, 125 ± 15, 102 ± 10 and 88 ± 10 fs for the pump wavelengths of 242.1, 238.1, 232.6 and 216.7 nm, respectively. Internal conversion to the S1(1πσ*) state represents at most a minor decay channel. The methyl substitution effects on the decay dynamics of the excited states of pyrrole are also discussed. Methyl substitution on the pyrrole ring seems to enhance the direct internal conversion from the 1π3p Rydberg state to the ground state, while methyl substitution on the N atom has less influence and the internal conversion to the S1(πσ*) state represents a main channel.

  6. Two-vibron bound states in the β–Fermi–Pasta–Ulam model

    International Nuclear Information System (INIS)

    Hu Xinguang; Tang Yi

    2008-01-01

    This paper studies the two-vibron bound states in the β–Fermi–Pasta–Ulam model by means of the number conserving approximation combined with the number state method. The results indicate that on-site, adjacent-site and mixed two-vibron bound states may exist in the model. Specially, wave number has a significant effect on such bound states, which may be considered as the quantum effects of the localized states in quantum systems. (condensed matter: structure, thermal and mechanical properties)

  7. Bound states embedded into continuous spectrum as 'gathered' (compactified) scattering waves

    International Nuclear Information System (INIS)

    Zakhar'ev, B.N.; Chabanov, V.M.

    1995-01-01

    It is shown that states of continuous spectrum (the half-line case) can be considered as bound states normalized by unity but distributed on the infinite interval with vanishing density. Then the algorithms of shifting the range of primary localization of a chosen bound state in potential well of finite width appear to be applicable to scattering functions. The potential perturbations of the same type (but now on half-axis) concentrate the scattering wave in near vicinity of the origin, which leads to creation of bound state embedded into continuous spectrum. (author). 8 refs., 7 figs

  8. Resonant excitation and the decay of autoionization states in a strong electromagnetic field

    International Nuclear Information System (INIS)

    Andryushin, A.I.; Kazakov, A.E.; Fedorov, M.V.

    1985-01-01

    Photoionization of atoms involving resonant excitation of the auto-ionization state is studied. The evolution of the total ionization probability, its dependence on the frequency of the resonance radiation and also the photoelectron energy spectrum are investigated. It is shown that the energy of the final state of the system may be localized either in the vicinity of E approximately Esub(α), where Esub(α) is the auto-ionization energy, or in the vicinity of E approximately Esub(α)+h/2πω where h/2πω is the quantum energy of the resonance radiation. The photoelectron specturum in the region E approximately Esub(α)+h/2πω as a whole is similar to the electron spectrum on photoionization of atoms involving resonance excitation of the bound state. A strong effect on the photoelectron spectrum in the region E approximately Esub(α) is exerted by interference of various decay channels of the ground state in the resonance field which leads to the appearance in the spectrum of a characteristic structure of the Fano type. Interence also affects the widths of the two spectral curves, the relatve amount of electrons in the two energy ranges and also other characteristics of the ionization process. It is shown that the presence of a noninterfering photoionization channel of the autoionization state ensures the finiteness of the swidths and heights of the spectral curves and the absence of complete ''coherency merging''

  9. Electronically excited negative ion resonant states in chloroethylenes

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru; Lukin, V.G.; Tuimedov, G.M.; Khatymova, L.Z.; Kinzyabulatov, R.R.; Tseplin, E.E.

    2015-02-15

    Highlights: • Several novel dissociative negative ion channels were revealed in chloroethylenes. • The electronically excited resonant states were recorded in all chloroethylenes under study. • The states were assigned to the inter-shell types, but not to the core-excited Feshbach one. - Abstract: The negative ion mass spectra of the resonant electron capture by molecules of 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans, trichloroethylene and tetrachloroethylene have been recorded in the 0–12 eV range of the captured electron energy using static magnetic sector mass spectrometer modified for operation in the resonant electron capture regime. As a result, several novel low-intensive dissociation channels were revealed in the compounds under study. Additionally, the negative ion resonant states were recorded at approximately 3–12 eV, mostly for the first time. These resonant states were assigned to the electronically excited resonances of the inter-shell type by comparing their energies with those of the parent neutral molecules triplet and singlet electronically excited states known from the energy-loss spectra obtained by previous studies.

  10. Spectrum of gluino bound states

    International Nuclear Information System (INIS)

    Chanowitz, M.; Sharpe, S.; California Univ., Berkeley

    1983-01-01

    Using the bag model to first order in αsub(s) we find that if light gluinos exist they will appear as constituents of electrically charged bound states which are stable against strong interaction decay. We review the present experimental constraints and conclude that light, long-lived charged hadrons containing gluinos might exist with lifetimes between 2x10 - 8 and 10 - 14 s. (orig.)

  11. Excitation spectrum of ferromagnetic xxz-chains

    International Nuclear Information System (INIS)

    Schneider, T.; Stoll, E.

    1983-01-01

    In the history of xxz-Heisenberg spin chains, understanding of the dynamic form factors (DFF) is much less advanced. In this paper the DFF of ferromagnetic xxz chains as a tool to probe and interpret excitation spectrum is reviewed. The Isingheisenberg chain, and the Planar-Heisenberg chain (where HF approximations become exact) are studied. The results provide instructive connections between spin systems, interacting fermions and bosons. Various new aspects--thermally induced bound state effects in terms of central peaks in DFF for Isinglike xxz chains; the possibility to observe bound states in S /SUB zz/ (q,w) accessible by neutron scattering techniques, in the planar system--are found

  12. Application of the N-quantum approximation method to bound state problems

    International Nuclear Information System (INIS)

    Raychaudhuri, A.

    1977-01-01

    The N-quantum approximation (NQA) method is examined in the light of its application to bound state problems. Bound state wave functions are obtained as expansion coefficients in a truncated Haag expansion. From the equations of motion for the Heisenberg field and the NQA expansion, an equation satisfied by the wave function is derived. Two different bound state systems are considered. In one case, the bound state problem of two identical scalars by scalar exchange is analyzed using the NQA. An integral equation satisfied by the wave function is derived. In the nonrelativistic limit, the equation is shown to reduce to the Schroedinger equation. The equation is solved numerically, and the results compared with those obtained for this system by other methods. The NQA method is also applied to the bound state of two spin 1/2 particles with electromagnetic interaction. The integral equation for the wave function is shown to agree with the corresponding Bethe Salpeter equation in the nonrelativistic limit. Using the Dirac (4 x 4) matrices the wave function is expanded in terms of structure functions and the equation for the wave function is reduced to two disjoint sets of coupled equation for the structure functions

  13. Usefulness of bound-state approximations in reaction theory

    International Nuclear Information System (INIS)

    Adhikari, S.K.

    1981-01-01

    A bound-state approximation when applied to certain operators, such as the many-body resolvent operator for a two-body fragmentation channel, in many-body scattering equations, reduces such equations to equivalent two-body scattering equations which are supposed to provide a good description of the underlying physical process. In this paper we test several variants of bound-state approximations in the soluble three-boson Amado model and find that such approximations lead to weak and unacceptable kernels for the equivalent two-body scattering equations and hence to a poor description of the underlying many-body process

  14. Role of Feshbach resonances in enhancing the production of deeply bound ultracold LiRb molecules with laser pulses

    Science.gov (United States)

    Gacesa, Marko; Ghosal, Subhas; Côté, Robin

    2010-03-01

    We investigate the possibility of forming deeply bound LiRb molecules in a two-color photoassociation experiment. Ultracold ^6Li and ^87Rb atoms colliding in the vicinity of a magnetic Feshbach resonance are photoassociated into an excited electronic state. A wavepacket is then formed by exciting a few vibrational levels of the excited state and allowed to propagate. We calculate the time-dependent overlaps between the wave packet and the lowest vibrational levels of the ground state. After the optimal overlap is obtained we use the second laser pulse to dump the wave packet and efficiently populate the deeply bound ro-vibrational levels of ^6Li^87Rb in the ground state. The resulting combination of Feshbach-optimized photoassociation (FOPA) with the time-dependent pump-dump approach will produce a large number of stable ultracold molecules in the ground state. This technique is general and applicable to other systems.

  15. Lifetime measurements of excited states in 196Pt

    International Nuclear Information System (INIS)

    Bolotin, H.H.; Katayama, Ichiro; Sakai, Hideyuki; Fujita, Yoshitaka; Fujiwara, Mamoru

    1979-01-01

    The lifetimes of six excited states in 196 Pt up to an excitation energy of 1525 keV were measured by the recoil-distance method (RDM). These levels were populated by Coulomb excitation using both 90 MeV 20 Ne and 220 MeV 58 Ni ion beams. The measured lifetimes of the 2 1 + , 4 1 + , 6 1 + , 2 2 + , 4 2 + and 0 2 + states and the B(E2) values inferred for the depopulating transitions from these levels are presented. With the exception of the 2 1 + state, the meanlives of all other levels are the first such direct experimental determinations to be reported. (author)

  16. Full-potential multiple scattering theory with space-filling cells for bound and continuum states.

    Science.gov (United States)

    Hatada, Keisuke; Hayakawa, Kuniko; Benfatto, Maurizio; Natoli, Calogero R

    2010-05-12

    We present a rigorous derivation of a real-space full-potential multiple scattering theory (FP-MST) that is free from the drawbacks that up to now have impaired its development (in particular the need to expand cell shape functions in spherical harmonics and rectangular matrices), valid both for continuum and bound states, under conditions for space partitioning that are not excessively restrictive and easily implemented. In this connection we give a new scheme to generate local basis functions for the truncated potential cells that is simple, fast, efficient, valid for any shape of the cell and reduces to the minimum the number of spherical harmonics in the expansion of the scattering wavefunction. The method also avoids the need for saturating 'internal sums' due to the re-expansion of the spherical Hankel functions around another point in space (usually another cell center). Thus this approach provides a straightforward extension of MST in the muffin-tin (MT) approximation, with only one truncation parameter given by the classical relation l(max) = kR(b), where k is the electron wavevector (either in the excited or ground state of the system under consideration) and R(b) is the radius of the bounding sphere of the scattering cell. Moreover, the scattering path operator of the theory can be found in terms of an absolutely convergent procedure in the l(max) --> ∞ limit. Consequently, this feature provides a firm ground for the use of FP-MST as a viable method for electronic structure calculations and makes possible the computation of x-ray spectroscopies, notably photo-electron diffraction, absorption and anomalous scattering among others, with the ease and versatility of the corresponding MT theory. Some numerical applications of the theory are presented, both for continuum and bound states.

  17. Bound-bound transitions in the emission spectra of Ba+-He excimer

    Science.gov (United States)

    Moroshkin, P.; Kono, K.

    2016-05-01

    We present an experimental and theoretical study of the emission and absorption spectra of the Ba+ ions and Ba+*He excimer quasimolecules in the cryogenic Ba-He plasma. We observe several spectral features in the emission spectrum, which we assign to the electronic transitions between bound states of the excimer correlating to the 6 2P3 /2 and 5 2D3 /2 ,5 /2 states of Ba+. The resulting Ba+(5 2DJ) He is a metastable electronically excited complex with orbital angular momentum L =2 , thus expanding the family of known metal-helium quasimolecules. It might be suitable for high-resolution spectroscopic studies and for the search for new polyatomic exciplex structures.

  18. Improved Rosen's conditions on bound states of Schroedinger operators

    International Nuclear Information System (INIS)

    Exner, P.

    1984-01-01

    We derive a necessary condition on a Schroedinger operator H=-Δ+V on Lsup(2)(Rsup(d)), d>=3 to have a bound state below a given energy epsilon, and a lower bound to the ground-state energy of H. These conditions are expressed in terms of the potential V alone, and generalize the recent results of Rosen to the dimensions d>3 and to the potentials that are not necessarily rapidly decreasing. Some examples are given

  19. 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.

  20. Probability of collective excited state decay

    International Nuclear Information System (INIS)

    Manykin, Eh.A.; Ozhovan, M.I.; Poluehktov, P.P.

    1987-01-01

    Decay mechanisms of condensed excited state formed of highly excited (Rydberg) atoms are considered, i.e. stability of so-called Rydberg substance is analyzed. It is shown that Auger recombination and radiation transitions are the basic processes. The corresponding probabilities are calculated and compared. It is ascertained that the ''Rydberg substance'' possesses macroscopic lifetime (several seconds) and in a sense it is metastable

  1. Synthesis and Isotope Effects on the Excited State Properties of NN Bound Complexes

    NARCIS (Netherlands)

    Soman, Suraj; Younis, Hamid M.; Browne, Wesley R.; Vos, Johannes G.; Pryce, Mary T.

    2017-01-01

    A versatile approach to the preparation of [Ir(LL)(2)Cl-2](PF6) type complexes is reported, in which LL is an (NN)-N- bound polypyridyl ligand [X(2)bpy, X(2)phen, where X = H-, CH3-, (CH3)(3)C-, or phenyl-, and bpy = 2,2-bipyridyl, phen = 1,10-phenanthroline] as well as their deuterated analogues.

  2. Excited-state dynamics of pentacene derivatives with stable radical substituents.

    Science.gov (United States)

    Ito, Akitaka; Shimizu, Akihiro; Kishida, Noriaki; Kawanaka, Yusuke; Kosumi, Daisuke; Hashimoto, Hideki; Teki, Yoshio

    2014-06-23

    The excited-state dynamics of pentacene derivatives with stable radical substituents were evaluated in detail through transient absorption measurements. The derivatives showed ultrafast formation of triplet excited state(s) in the pentacene moiety from a photoexcited singlet state through the contributions of enhanced intersystem crossing and singlet fission. Detailed kinetic analyses for the transient absorption data were conducted to quantify the excited-state characteristics of the derivatives. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Excitation of nuclear states by synchrotron radiation

    International Nuclear Information System (INIS)

    Olariu, Albert

    2003-01-01

    We study the excitation of nuclear states by gamma ray beams of energy up to 200 keV produced as synchrotron radiation. We consider the possibility to populate an excited state |i> in two steps, from the ground state |g> to an intermediary state |n> which decays by gamma emission or internal conversion to a lower state |i>. The aim of this study is to establish that the probability P 2 of the two-step transition |g> → |n> → |i> should be greater than the probability P 1 of the direct transition |g> → |i>. The probabilities P 1 and P 2 correspond to a radiation pulse of duration equal to the half-time of the state |i>. We have written a computer program in C++ which computes the probability P 2 , the ratio P 2 /P 1 and the rate C 2 of the two-step transitions for any nuclei and different configurations of states. The program uses a database which contains information on the energy levels, half-lives, spins and parities of nuclear states and on the relative intensities of the nuclear transitions. If the half-lives or the relative intensities are not known the program uses the Weisskopf estimates for the transition half-lives. An interpolation program of internal conversion coefficients has also been used. We listed the values obtained for P 2 , P 2 /P 1 and C 2 in a number of cases in which P 2 is significant from the 2900 considered cases. The states |i> and |n> have the energies E i and E n , the corresponding half-lives being t i and t n . The spectral density of the synchrotron radiation has been considered to be 10 12 photons cm -2 s -1 eV -1 . We listed only the cases for which the relative intensities of the transitions from levels |n> and |i> to lower states are known. The calculations carried out in this study allowed us to identify nuclei for which P 2 has relatively great values. In the listed cases P 2 /P 1 >>1, so that the two-step excitation by synchrotron radiation is more efficient than the direct excitation |g> → |i>. For a sample having 10

  4. Parametric excitation electromagnetic radiation in a bounded non-equilibrium plasma

    International Nuclear Information System (INIS)

    Balakirev, V.A.; Tolstoluzhskij, A.P.

    1981-01-01

    An excitation mechanism of electromagnetic radiation in a bounded plasma-beam system which is based on the process of induced scattering of electron beam-strengthened high-frequency wave (HF) of a plasma waveguide with an ion-sound wave, is investigated. It is shown that the process under investigation is an effective mechanism of electromagnetic radiation production. Up to 73 % of the beam power is trabsformed to the electromagnetic radiation under the conditions considered. As the frequency of the irradiated wave is close to the plasma frequency it can vary within wide limits by the change in plasma density. It is noted that the necessary condition of electromagnetic radiation production in the mechanism under consideration has the form of inequality ωsub(l)-ωsub(s)/(ksub(l)-ksub(s)>c (ωsub(l) - frequency of HF wave, ωsub(s)- frequency of ion-sound wave) and is less rigid as compared with the synchronism conditions for three-wave resonant interaction of proper oscillations. Therefore, the considered induced scattering process is less sensitive to a possible inhomogeneity of plasma density [ru

  5. Systematic assignment of Feshbach resonances via an asymptotic bound state model

    NARCIS (Netherlands)

    Goosen, M.; Kokkelmans, SJ.J.M.F.

    2008-01-01

    We present an Asymptotic Bound state Model (ABM), which is useful to predict Feshbach resonances. The model utilizes asymptotic properties of the interaction potentials to represent coupled molecular wavefunctions. The bound states of this system give rise to Feshbach resonances, localized at the

  6. Fano effect and Andreev bound states in T-shape double quantum dots

    International Nuclear Information System (INIS)

    Calle, A.M.; Pacheco, M.; Orellana, P.A.

    2013-01-01

    In this Letter, we investigate the transport through a T-shaped double quantum dot coupled to two normal metal leads left and right and a superconducting lead. Analytical expressions of Andreev transmission and local density of states of the system at zero temperature have been obtained. We study the role of the superconducting lead in the quantum interferometric features of the double quantum dot. We report for first time the Fano effect produced by Andreev bound states in a side quantum dot. Our results show that as a consequence of quantum interference and proximity effect, the transmission from normal to normal lead exhibits Fano resonances due to Andreev bound states. We find that this interference effect allows us to study the Andreev bound states in the changes in the conductance between two normal leads. - Highlights: • Transport properties of a double quantum dot coupled in T-shape configuration to conducting and superconducting leads are studied. • We report Fano antiresonances in the normal transmission due to the Andreev reflections in the superconducting lead. • We report for first time the Fano effect produced by Andreev bound states in a side quantum dot. • Fano effect allows us to study the Andreev bound states in the changes in the conductance between two normal leads. • Andreev bound states survives even for strong dot-superconductor coupling

  7. Connection between bound-states of bosons moving in one dimension

    International Nuclear Information System (INIS)

    Coutinho, F.A.B.

    1982-06-01

    It is shown that when a system of two identical bosons moving in one dimension have a bound state of energy ν sub(o), then the N body system will also have a bound state at a specific energy given by equation W(N+1) = 2N/1-N ]W(N)] - N+1/1-N ]W(N-1)]. (Author) [pt

  8. Quarks as quasiparticles of bound states

    International Nuclear Information System (INIS)

    Tyapkin, A.A.

    1977-01-01

    Interpretation of quarks as strongly bound subsystems of the baryon structure, being in various states with integer the quantum numbers Q and B, is considered. Three original quark states, distinguished by Q, B, and J, are unambiguously determined from the condition that the quarks have the corresponding fractional quantum numbers while the integer quantum numbers for the whole system are known. With this in view the new quantum number ''colour'' is interpreted as a quantity, specifying the appearance of the subsystems in various eigen-states. Basing on the generalized Sakata model, the self-consistency of change of the colour states in the three-quark system is explained

  9. Shooting quasiparticles from Andreev bound states in a superconducting constriction

    Energy Technology Data Exchange (ETDEWEB)

    Riwar, R.-P.; Houzet, M.; Meyer, J. S. [University of Grenoble Alpes, INAC-SPSMS (France); Nazarov, Y. V., E-mail: Y.V.Nazarov@tudelft.nl [Delft University of Technology, Kavli Institute of NanoScience (Netherlands)

    2014-12-15

    A few-channel superconducting constriction provides a set of discrete Andreev bound states that may be populated with quasiparticles. Motivated by recent experimental research, we study the processes in an a.c. driven constriction whereby a quasiparticle is promoted to the delocalized states outside the superconducting gap and flies away. We distinguish two processes of this kind. In the process of ionization, a quasiparticle present in the Andreev bound state is transferred to the delocalized states leaving the constriction. The refill process involves two quasiparticles: one flies away while another one appears in the Andreev bound state. We notice an interesting asymmetry of these processes. The electron-like quasiparticles are predominantly emitted to one side of the constriction while the hole-like ones are emitted to the other side. This produces a charge imbalance of accumulated quasiparticles, that is opposite on opposite sides of the junction. The imbalance may be detected with a tunnel contact to a normal metal lead.

  10. The formation and decay of triply excited He- states in e-He scattering

    International Nuclear Information System (INIS)

    Heideman, H.G.M.

    1988-01-01

    A description is given of doubly and triply excited negative-ion states and their effects on the electron impact excitation of atomic states. Mechanisms for indirect excitation of singly excited states are discussed with respect to:- negative-ion resonance, autoionisation and post-collision interaction, and excitation of an autoionising state via a negative ion resonance. A classification of doubly excited states is considered. Experimental results on the excitation of the n'S states of helium as a function of the incident electron energy are presented, along with theoretical PCI (post collision interaction) profiles in excitation functions, and an interpretation of the results. (UK)

  11. Excitation and decay of correlated atomic states

    International Nuclear Information System (INIS)

    Rau, A.R.P.

    1992-01-01

    Doubly excited states of atoms and ions in which two electrons are excited from the ground configuration display strong radial and angular electron correlations. They are prototypical examples of quantum-mechanical systems with strong coupling. Two distinguishing characteristics of these states are: (1) their organization into successive families, with only weak coupling between families, and (2) a hierarchical nature of this coupling, with states from one family decaying primarily to those in the next lower family. A view of the pair of electrons as a single entity, with the electron-electron repulsion between them divided into a adiabatic and nonadiabatic piece, accounts for many of the dominant features. The stronger, adiabatic part determines the family structure and the weaker, nonadiabatic part the excitation and decay between successive families. Similar considerations extend to three-electron atomic states, which group into five different classes. They are suggestive of composite models for quarks in elementary particle physics, which exhibit analogous groupings into families with a hierarchical arrangement of masses and electroweak decays. 49 refs., 6 figs., 2 tabs

  12. Threshold energy dependence as a function of potential strength and the nonexistence of bound states

    International Nuclear Information System (INIS)

    Aronson, I.; Kleinman, C.J.; Spruch, L.

    1975-01-01

    The difficulty in attempting to prove that a given set of particles cannot form a bound state is the absence of a margin of error; the possibility of a bound state of arbitrarily small binding energy must be ruled out. At the sacrifice of rigor, one can hope to bypass the difficulty by studying the ground-state energy E(lambda) associated with H(lambda) identical with H/sub true/ + lambda/sub ν/, where H/sub true/ is the true Hamiltonian, ν is an artificial attractive potential, and lambda greater than 0. E(lambda) can be estimated via a Rayleigh-Ritz calculation. If H/sub true/ falls just short of being able to support a bound state, H(lambda) for lambda ''not too small'' will support a bound state of some significant binding. A margin of error is thereby created; the inability to find a bound state for lambda ''not too small'' suggests not only that H(lambda) can support at best a weakly bound state but that H/sub true/ cannot support a bound state at all. To give the argument real substance, one studies E(lambda) in the neighborhood of lambda = lambda 0 , the (unknown) smallest value for lambda for which H(lambda) can support a bound state. A comparison of E(lambda) determined numerically with the form of E(lambda) obtained with the use of a crude bound-state wave function in the Feynman theorem gives a rough self-consistency check. One thereby obtains a believable lower bound on the energy of a possible bound state of H/sub true/ or a believable argument that no such bound state exists. The method is applied to the triplet state of H -

  13. 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

  14. Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H-

    Science.gov (United States)

    Bassett, Matthew K.; Fortenberry, Ryan C.

    2017-06-01

    The C3H radical is believed to be prevalent throughout the interstellar medium and may be involved in the formation of polycyclic aromatic hydrocarbons. C3H exists as both a linear and a cyclic isomer. The C2 v cyclopropenylidenyl radical isomer was detected in the dark molecular cloud TMC-1, and the linear propenylidenyl radical isomer has been observed in various dark molecular clouds. Even though the c-C3H radical has been classified rotationally, the vibrational frequencies of this seemingly important interstellar molecule have never been directly observed. Established, highly accurate quartic force field methodologies are employed here to compute useful geometrical data, spectroscopic constants, and vibrational frequencies. The computed rotational constants are consistent with the experimental results. Consequently, the three a1 (ν1, ν2, and ν3) and one b1 (ν6) anharmonic vibrational frequencies at 3117.7 cm-1, 1564.3 cm-1, 1198.5 cm-1, and 826.7 cm-1, respectively, are reliable predictions for these, as of yet unseen, observables. Unfortunately, the two b2 fundamentals (ν4 and ν5) cannot be treated adequately in the current approach due to a flat and possible double-well potential described in detail herein. The dipole-bound excited state of the anion suffers from the same issues and may not even be bound. However, the trusted fundamental vibrational frequencies described for the neutral radical should not be affected by this deformity and are the first robustly produced for c-C3H. The insights gained here will also be applicable to other structures containing three-membered bare and exposed carbon rings that are surprisingly floppy in nature.

  15. Excitation of autoionizing states of helium by 100 keV proton impact: II. Excitation cross sections and mechanisms of excitation

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L. [Department of Physics, Tulane University, New Orleans, LA 70118-5698 (United States); Ivanov, P.B.; Schipakov, V.A. [Troitsk Institute of Innovation and Fusion Research Troitsk, Moscow region, 142092 (Russian Federation); Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Laboratoire Collisions, Agregats, Reactivite, IRSAMC, UMR 5589, CNRS-Universite Paul Sabatier, 31062 Toulouse Cedex (France)

    2000-03-14

    Mechanisms of two-electron excitation of the (2s{sup 2}){sup 1} S, (2p{sup 2} ){sup 1} D and (2s2p){sup 1} P autoionizing states of helium are studied both experimentally and theoretically. It is shown that an explicit introduction of a kinematic factor, with a process-specific phase leads to a productive parametrization of experimental cross sections of ionization, allowing one to extract cross sections of excitation of autoionizing states. Using a new fitting procedure together with the proposed parametrization made it possible to obtain the excitation cross sections and magnetic sublevel population from electron spectra as well as, for the first time, to resolve the contribution of resonance and interference components to resonance profiles. Interference with direct ionization is shown to contribute significantly into resonance formation even for backward ejection angles. We demonstrate theoretically that the excitation cross sections thus extracted from experimental electron spectra hold information about the interaction of autoionizing states with an adjacent continuum. (author)

  16. Vibrational spectroscopy of the electronically excited state. 4. Nanosecond and picosecond time-resolved resonance Raman spectroscopy of carotenoid excited states

    International Nuclear Information System (INIS)

    Dallinger, R.F.; Farquharson, S.; Woodruff, W.H.; Rodgers, M.A.J.

    1981-01-01

    Resonance Raman and electronic absorption spectra are reported for the S 0 and T 1 states of the carotenoids β-carotene, zeaxanthin, echinenone, canthaxanthin, dihydroxylycopene, astaxanthin, decapreno(C 50 )-β-carotene, β-apo-8'-carotenal, and ethyl β-apo-8'-carotenoate. The results reveal qualitatively similar ground-state spectra and similar frequency shifts in all observed resonance Raman modes between S 0 and T 1 , regardless of carotenoid structure. Examinations of the relationship of the putative C--C and C==C frequencies in S 0 and T 1 reveals anomalous shifts to lower frequency in the ''single-bond'' mode upon electronic excitation. These shifts may be due to molecular distortions in the excited state which force changes in molecular motions comprising the observed modes. However, another possibility requiring no distortion is that the interaction (off-diagonal) force constants connecting the C--C and C==C modes change sign upon electronic excitation. This latter phenomenon may provide a unitary explanation for the ''anomalous'' frequency shifts in the C--C and C==C modes, both in the T 1 states of carotenoids and in the S 1 states of simpler polyenes, without postulating large, unpredicted structural changes upon excitation or general errors in existing vibrational or theoretical analyses. Resonance Raman and absorbance studies with 35-ps time resolution suggest that S 1 lifetime (of the 1 B/sub u/ and/or the 1 A/sub g/* states) of β-carotene in benzene is less than 1 ps

  17. Excitation energy of /sup 3/B/sub 1/ state of H/sub 2/O calculated from generalized oscillator strengths

    Energy Technology Data Exchange (ETDEWEB)

    Klump, K N; Lassettre, E N

    1975-01-01

    Generalized oscillator strengths have been determined for the 7.4 eV excitation in H/sub 2/O at initial electron kinetic energies from 300 to 600 eV and squared momentum changes (of the colliding electron) to 4.5 a.u. These data are employed, in an approximate formula developed by Lassettre and Dillon, to calculate the excitation energy of the lowest /sup 3/B/sub 1/ state of H/sub 2/O. The value obtained, 7.0 eV, is in good agreement with accurate quantum chemical calculations and with experiment. The estimated uncertainty, based on errors found for CO and He, is 0.1 eV. This is a plausible estimate, not an upper bound.

  18. Inelastic scattering of 9Li and excitation mechanism of its first excited state

    International Nuclear Information System (INIS)

    Al Falou, H.; Kanungo, R.; Andreoiu, C.; Cross, D.S.; Davids, B.; Djongolov, M.; Gallant, A.T.; Galinski, N.; Howell, D.; Kshetri, R.; Niamir, D.; Orce, J.N.; Shotter, A.C.; Sjue, S.; Tanihata, I.; Thompson, I.J.; Triambak, S.; Uchida, M.; Walden, P.; Wiringa, R.B.

    2013-01-01

    The first measurement of inelastic scattering of 9 Li from deuterons at the ISAC facility is reported. The measured angular distribution for the first excited state confirms the nature of excitation to be an E2 transition. The quadrupole deformation parameter is extracted from an analysis of the angular distribution

  19. Partial radiative-recombination cross sections for excited states of hydrogen

    International Nuclear Information System (INIS)

    Fazio, P.M.; Copeland, G.E.

    1985-01-01

    The squares of the dipole and quadrupole matrix elements for the free-to-bound transitions of hydrogen up to bound states Vertical Barn = 20,l = 19> are derived in closed analytic form as a function of the kinetic energy of the free electron. Coulomb wave functions are used for the free as well as the bound states and, thus, the results are good for any electron energy. Several interesting effects are found. First, the transition probabilities are maximum for recombination into specific intermediate-angular-momentum states at low energies (w<1 eV) and where the free-state angular momentum is greater than that of the bound state. Further, that specific intermediate-angular-momentum state depends on the kinetic energy of the free electron. This behavior is in contrast to the ''normal'' behavior of the transition strengths where recombination into s states is greatest and decreases with increasing angular momentum. Second, the quadrupole matrix elements vanish for certain velocities of the free electron. These ''zeros'' produce minima in the corresponding quadrupole cross sections. Finally, the calculated partial cross sections for recombination into high-angular-momentum states are greater when quadrupole transitions are included

  20. Surface-bound states in nanodiamonds

    Science.gov (United States)

    Han, Peng; Antonov, Denis; Wrachtrup, Jörg; Bester, Gabriel

    2017-05-01

    We show via ab initio calculations and an electrostatic model that the notoriously low, but positive, electron affinity of bulk diamond becomes negative for hydrogen passivated nanodiamonds and argue that this peculiar situation (type-II offset with a vacuum level at nearly midgap) and the three further conditions: (i) a surface dipole with positive charge on the outside layer, (ii) a spherical symmetry, and (iii) a dielectric mismatch at the surface, results in the emergence of a peculiar type of surface state localized just outside the nanodiamond. These states are referred to as "surface-bound states" and have consequently a strong environmental sensitivity. These type of states should exist in any nanostructure with negative electron affinity. We further quantify the band offsets of different type of nanostructures as well as the exciton binding energy and contrast the results with results for "conventional" silicon quantum dots.

  1. 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...

  2. Real-pion states formed by virtual-pion beam

    International Nuclear Information System (INIS)

    Yamazaki, Toshimitsu.

    1990-04-01

    Deeply bound pionic states are discussed from various points of view; highly excited nuclear states as a cluster family of pionic bound states, Σ atom/Σ hypernuclei, halo-like density distributions, virtual pion beam to produce pionic states, etc. (author)

  3. First observation of bound-state β-decay

    International Nuclear Information System (INIS)

    Jung, M.; Bosch, F.; Beckert, K.; Eickhoff, H.; Folger, H.; Franzke, B.; Kienle, P.; Klepper, O.; Koenig, W.; Kozhuharov, C.; Mann, R.; Moshammer, R.; Nolden, F.; Schaaf, U.; Soff, G.; Spaedtke, P.; Steck, M.; Stoehlker, T.; Suemmerer, K.

    1992-06-01

    Bound-state Β - decay was observed for the first time by storing bare 66 163 Dy 66+ ions in a heavy-ion storage ring. From the number of 67 163 Ho 66+ daughter ions, measured as a function of the storage time, a half-life of 47 4 +5 - d was derived. By comparing this result with reported half-lives for electron capture (EC) from the M 1 and M 2 shells of neutral 67 163 Ho, bounds for both the Q EC value of neutral 67 163 Ho and for the electron neutrino mass were set. (orig.)

  4. Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

    Science.gov (United States)

    Kowalczyk, Tim; Le, Khoa; Irle, Stephan

    2016-01-12

    We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

  5. Systematics in Rydberg state excitations for ion-atom collisions

    International Nuclear Information System (INIS)

    Andresen, B.; Jensen, K.; Petersen, N.B.; Veje, E.

    1976-01-01

    Rydberg state excitations in the Ne + , Mg + -He collisions have been studied in the projectile energy range 10-75 keV by means of optical spectrometry in a search for systematic trends. The relative excitation cross sections for levels of a Rydberg term series are found to follow a general (nsup(x))sup(P) behaviour with P < approximately -3 varying with collision energy and particles, regardless of whether the excited state population results from direct excitation, single electron transfer, or double electron transfer. At higher collision energies P is approximately -3 as predicted by theory. Polarization of the emitted line radiation indicates that there is no general rule for the relative excitation of the different magnetic substates of the same level. A statistical distribution of excitation is found for levels within the same term when the fine structure splitting is small. (Auth.)

  6. Bound-state quark and gluon contributions to structure functions in QCD

    International Nuclear Information System (INIS)

    Brodsky, S.J.

    1991-01-01

    One can distinguish two types of contributions to the quark and gluon structure functions of hadrons in quantum chromodynamics: 'intrinsic' contributions, which are due to the direct scattering on the bound-state constituents, and 'extrinsic' contributions, which are derived from particles created in the collision. In this talk, I discuss several aspects of deep inealstic structure functions in which the bound-state structure of the proton plays a crucial role: (1) the properties of the intrinsic gluon distribution associated with the proton bound-state wavefunction; (2) the separation of the quark structure function of the proton into intrinsic 'bound-valence' and extrinsic 'non-valence' components which takes into account the Pauli principle; (3) the properties and identification of intrinsic heavy quark structure functions; and (4) a theory of shadowing and anti-shadowing of nuclear structure functions, directly related to quark-nucleon interactions and the gluon saturation phenomenon. (orig.)

  7. Bound-state quark and gluon contributions to structure functions in QCD

    International Nuclear Information System (INIS)

    Brodsky, S.J.

    1990-08-01

    One can distinguish two types of contributions to the quark and gluon structure functions of hadrons in quantum chromodynamics: ''intrinsic'' contributions, which are due to the direct scattering on the bound-state constituents, and ''extrinsic'' contributions, which are derived from particles created in the collision. In this talk, I discussed several aspects of deep inelastic structure functions in which the bound-state structure of the proton plays a crucial role: the properties of the intrinsic gluon distribution associated with the proton bound-state wavefunction; the separation of the quark structure function of the proton onto intrinsic ''bound-valence'' and extrinsic ''non-valence'' components which takes into account the Pauli principle; the properties and identification of intrinsic heavy quark structure functions; and a theory of shadowing and anti-shadowing of nuclear structure functions, directly related to quark-nucleon interactions and the gluon saturation phenomenon. 49 refs., 5 figs

  8. σ-SCF: A direct energy-targeting method to mean-field excited states.

    Science.gov (United States)

    Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D; Van Voorhis, Troy

    2017-12-07

    The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry-a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states-ground or excited-are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H 2 , HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

  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. 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.

  11. Tunable hybridization of Majorana bound states at the quantum spin Hall edge

    Science.gov (United States)

    Keidel, Felix; Burset, Pablo; Trauzettel, Björn

    2018-02-01

    Confinement at the helical edge of a topological insulator is possible in the presence of proximity-induced magnetic (F) or superconducting (S) order. The interplay of both phenomena leads to the formation of localized Majorana bound states (MBS) or likewise (under certain resonance conditions) the formation of ordinary Andreev bound states (ABS). We investigate the properties of bound states in junctions composed of alternating regions of F or S barriers. Interestingly, the direction of magnetization in F regions and the relative superconducting phase between S regions can be exploited to hybridize MBS or ABS at will. We show that the local properties of MBS translate into a particular nonlocal superconducting pairing amplitude. Remarkably, the symmetry of the pairing amplitude contains information about the nature of the bound state that it stems from. Hence this symmetry can in principle be used to distinguish MBS from ABS, owing to the strong connection between local density of states and nonlocal pairing in our setup.

  12. Bound states in quantum field theory and coherent states: A fresh look

    International Nuclear Information System (INIS)

    Misra, S.P.

    1986-09-01

    We consider here bound state equations in quantum field theory where the state explicitly includes radiation quanta as constituents with the number of such quanta not fixed. The fully interacting system is dealt with through equal time commutators/anticommutators of field operators. The multiparticle channel for the radiation field is approximated through coherent state representations. (author)

  13. From fusion hierarchy to excited state TBA

    International Nuclear Information System (INIS)

    Juettner, G.; Kluemper, A.

    1998-01-01

    Functional relations among the fusion hierarchy of quantum transfer matrices give a novel derivation of the TBA equations, namely without string hypothesis. This is demonstrated for two important models of 1D highly correlated electron systems, the supersymmetric t-J model and the supersymmetric extended Hubbard model. As a consequence, ''the excited state TBA'' equations, which characterize correlation lengths, are explicitly derived for the t-J model. To the authors' knowledge, this is the first explicit derivation of excited state TBA equations for 1D lattice electron systems. (orig.)

  14. Accidental bound states in the continuum in an open Sinai billiard

    Energy Technology Data Exchange (ETDEWEB)

    Pilipchuk, A.S. [Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk (Russian Federation); Siberian Federal University, 660080 Krasnoyarsk (Russian Federation); Sadreev, A.F., E-mail: almas@tnp.krasn.ru [Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk (Russian Federation)

    2017-02-19

    The fundamental mechanism of the bound states in the continuum is the full destructive interference of two resonances when two eigenlevels of the closed system are crossing. There is, however, a wide class of quantum chaotic systems which display only avoided crossings of eigenlevels. As an example of such a system we consider the Sinai billiard coupled with two semi-infinite waveguides. We show that notwithstanding the absence of degeneracy bound states in the continuum occur due to accidental decoupling of the eigenstates of the billiard from the waveguides. - Highlights: • Bound states in the continuum in open chaotic billiards occur to accidental vanishing of coupling of eigenstate of billiard with waveguides.

  15. Andreev bound states. Some quasiclassical reflections

    International Nuclear Information System (INIS)

    Lin, Y.; Leggett, A. J.

    2014-01-01

    We discuss a very simple and essentially exactly solvable model problem which illustrates some nice features of Andreev bound states, namely, the trapping of a single Bogoliubov quasiparticle in a neutral s-wave BCS superfluid by a wide and shallow Zeeman trap. In the quasiclassical limit, the ground state is a doublet with a splitting which is proportional to the exponentially small amplitude for “normal” reflection by the edges of the trap. We comment briefly on a prima facie paradox concerning the continuity equation and conjecture a resolution to it

  16. Andreev bound states. Some quasiclassical reflections

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Y., E-mail: yiriolin@illinois.edu; Leggett, A. J. [University of Illinois at Urhana-Champaign, Dept. of Physics (United States)

    2014-12-15

    We discuss a very simple and essentially exactly solvable model problem which illustrates some nice features of Andreev bound states, namely, the trapping of a single Bogoliubov quasiparticle in a neutral s-wave BCS superfluid by a wide and shallow Zeeman trap. In the quasiclassical limit, the ground state is a doublet with a splitting which is proportional to the exponentially small amplitude for “normal” reflection by the edges of the trap. We comment briefly on a prima facie paradox concerning the continuity equation and conjecture a resolution to it.

  17. Three-nucleon forces and the trinucleon bound states

    International Nuclear Information System (INIS)

    Friar, J.L.; Frois, B.

    1986-04-01

    A summary of the bound-state working group session of the ''International Symposium on the Three-Body Force in the Three-Nucleon System'' is presented. The experimental evidence for three-nucleon forces has centered on two ground state properties: the tritium binding energy and the trinucleon form factors. Both are discussed

  18. Method of producing excited states of atomic nuclei

    International Nuclear Information System (INIS)

    Morita, M.; Morita, R.

    1976-01-01

    A method is claimed of producing excited states of atomic nuclei which comprises bombarding atoms with x rays or electrons, characterized in that (1) in the atoms selected to be produced in the excited state of their nuclei, (a) the difference between the nuclear excitation energy and the difference between the binding energies of adequately selected two electron orbits is small enough to introduce the nuclear excitation by electron transition, and (b) the system of the nucleus and the electrons in the case of ionizing an orbital electron in said atoms should satisfy the spin and parity conservation laws; and (2) the energy of the bombarding x rays or electrons should be larger than the binding energy of one of the said two electron orbits which is located at shorter distance from the atomic nucleus. According to the present invention, atomic nuclei can be excited in a relatively simple manner without requiring the use of large scale apparatus, equipment and production facilities, e.g., factories. It is also possible to produce radioactive substances or separate a particular isotope with an extremely high purity from a mixture of isotopes by utilizing nuclear excitation

  19. Electron impact excitation of the lowest doublet and quartet core-excited autoionizing states in Rb atoms

    International Nuclear Information System (INIS)

    Borovik, A; Roman, V; Zatsarinny, O; Bartschat, K

    2013-01-01

    Electron impact excitation of the (4p 5 5s 2 ) 2 P 3/2,1/2 and (4p 5 4d5s) 4 P 1/2,3/2,5/2 autoionizing states in rubidium atoms was studied experimentally by measuring the ejected-electron excitation functions and theoretically by employing a fully relativistic Dirac B-spline R-matrix (close-coupling) model. The experimental data were collected in an impact energy range from the respective excitation thresholds up to 50 eV with an incident electron energy resolution of 0.2 eV and an observation angle of 54.7°. Absolute values of the excitation cross sections were obtained by normalizing to the theoretical predictions. The observed near-threshold resonance structures were also analysed by comparison with theory. For the 2 P 3/2,1/2 doublet states, a detailed analysis of the R-matrix results reveals that the most intense resonances are related to odd-parity negative-ion states with dominant configurations 4p 5 5s5p 2 and 4p 5 4d5s6s. The measured excitation functions for the 2 P 1/2 and 4 P J states indicate a noticeable cascade population due to the radiative decay from high-lying autoionizing states. A comparative analysis with similar data for other alkali atoms is also presented.

  20. 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.

  1. Laser-induced nonsequential double ionization at and above the recollision-excitation-tunneling threshold

    International Nuclear Information System (INIS)

    Shaaran, T.; Figueira de Morisson Faria, C.; Nygren, M. T.

    2010-01-01

    We perform a rigorous, semianalytic study of the recollision excitation with subsequent tunneling ionization (RESI) mechanism in laser-induced nonsequential double ionization (NSDI), based on the strong-field approximation. We show that the shapes of the electron momentum distributions carry information about the bound state with which the first electron collides, the bound state to which the second electron is excited, and the type of electron-electron interaction. Furthermore, one may define a driving-field intensity threshold for the RESI physical mechanism. At the threshold, the kinetic energy of the first electron, upon return, is just sufficient to excite the second electron. We compute the distributions for helium and argon in the threshold and above-threshold intensity regimes. In the latter case, we relate our findings to existing experiments. The electron momentum distributions encountered are symmetric with respect to all quadrants of the plane spanned by the momentum components parallel to the laser-field polarization, instead of concentrating on only the second and fourth quadrants. The above-mentioned momentum constraints, together with the strong dependence of the distributions on the bound states involved, may be important for singling out the RESI mechanism in actual physical situations and using NSDI in ultrafast imaging.

  2. Probing Andreev bound states in one-atom superconducting contacts

    Energy Technology Data Exchange (ETDEWEB)

    Pothier, Hugues; Janvier, Camille; Tosi, Leandro; Girit, Caglar; Goffman, Marcelo; Esteve, Daniel; Urbina, Cristian [Quantronics Group, SPEC, CEA-Saclay (France)

    2015-07-01

    Superconductors are characterized by a dissipationless current. Since the work of Josephson 50 years ago, it is known that a supercurrent can even flow through tunnel junctions between superconductors. This Josephson effect also occurs through any type of ''weak links'' between superconductors: non-superconducting materials, constrictions,.. A unified understanding of the Josephson effect has emerged from a mesoscopic description of weak links. It relies on the existence of doublets of localized states that have energies below the superconducting gap: the Andreev bound states. I will present experiments performed on the simplest conductor possible, a single-atom contact between superconductors, that illustrate these concepts. The most recent work demonstrates time-domain manipulation of quantum superpositions of Andreev bound states.

  3. Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Tammie [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Naumov, Artem [Skolkovo Institute of Science and Technology, Moscow 143026 (Russian Federation); Fernandez-Alberti, Sebastian [Universidad Nacional de Quilmes, Roque Saenz Pea 352, B1876BXD Bernal (Argentina); Tretiak, Sergei, E-mail: serg@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2016-12-20

    The simulation of nonadiabatic dynamics in extended molecular systems involving hundreds of atoms and large densities of states is particularly challenging. Nonadiabatic coupling terms (NACTs) represent a significant numerical bottleneck in surface hopping approaches. Rather than using unreliable NACT cutting schemes, here we develop “on-the-fly” state limiting methods to eliminate states that are no longer essential for the non-radiative relaxation dynamics as a trajectory proceeds. We propose a state number criteria and an energy-based state limit. The latter is more physically relevant by requiring a user-imposed energy threshold. For this purpose, we introduce a local kinetic energy gauge by summing contributions from atoms within the spatial localization of the electronic wavefunction to define the energy available for upward hops. The proposed state limiting schemes are implemented within the nonadiabatic excited-state molecular dynamics framework to simulate photoinduced relaxation in poly-phenylene vinylene (PPV) and branched poly-phenylene ethynylene (PPE) oligomers for benchmark evaluation.

  4. Excited state populations and charge-exchange of fast ions in solids

    International Nuclear Information System (INIS)

    Miller, P.D.; Sofield, C.J.; Woods, C.J.

    1984-01-01

    Excited state populations and charge state fractions of 445 MeV Cl ions have been measured for a range of thicknesses of solid C targets. Cross sections for electron capture, loss, excitation and excited state quenching have been determined and these data are found to predict a quantitative difference between equilibrium charge state distributions from gases and solids for a special case of the Bohr-Lindhard density effect model. 8 references, 1 figure, 1 table

  5. Bound-state formation for thermal relic dark matter and unitarity

    International Nuclear Information System (INIS)

    Harling, Benedict von; Petraki, Kalliopi

    2014-01-01

    We show that the relic abundance of thermal dark matter annihilating via a long-range interaction, is significantly affected by the formation and decay of dark matter bound states in the early universe, if the dark matter mass is above a few TeV . We determine the coupling required to obtain the observed dark matter density, taking into account both the direct 2-to-2 annihilations and the formation of bound states, and provide an analytical fit. We argue that the unitarity limit on the inelastic cross-section is realized only if dark matter annihilates via a long-range interaction, and we determine the upper bound on the mass of thermal-relic dark matter to be about 197 (139) TeV for (non)-self-conjugate dark matter

  6. Amplification of non-Markovian decay due to bound state absorption into continuum

    International Nuclear Information System (INIS)

    Garmon, S.; Simine, L.; Segal, D.; Petrosky, T.

    2013-01-01

    It is known that quantum systems yield non-exponential (power law) decay on long time scales, associated with continuum threshold effects contributing to the survival probability for a prepared initial state. For an open quantum system consisting of a discrete state coupled to continuum, we study the case in which a discrete bound state of the full Hamiltonian approaches the energy continuum as the system parameters are varied. We find in this case that at least two regions exist yielding qualitatively different power law decay behaviors; we term these the long time 'near zone' and long time 'far zone'. In the near zone the survival probability falls off according to a t -1 power law, and in the far zone i t falls off as t -3 . We show that the timescale T Q separating these two regions is inversely related to the gap between the discrete bound state energy and the continuum threshold. In the case that the bound state is absorbed into the continuum and vanishes, then the time scale T Q diverges and the survival probability follows the t -1 power law even on asymptotic scales. Conversely, one could study the case of an anti-bound state approaching the threshold before being ejected from the continuum to form a bound state. Again the t -1 power law dominates precisely at the point of ejection. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Excited states of open strings from N=4 SYM

    International Nuclear Information System (INIS)

    Dzienkowski, Eric

    2015-01-01

    We continue the analysis of building open strings stretched between giant gravitons from N=4 SYM by going to second order in perturbation theory using the three-loop dilatation generator from the field theory. In the process we build a Fock-like space of states using Cuntz oscillators which can be used to access the excited open string states. We find a remarkable cancellation among the excited states that shows the ground state energy is consistent with a fully relativistic dispersion relation.

  8. Deeply bound pionic states and modifications of hadrons

    International Nuclear Information System (INIS)

    Hirenzaki, S.

    2000-01-01

    We have studied the structure and formation of mesic atoms and mesic nuclei theoretically. The latest results on the deeply bound pionic atoms, the kaonic atoms and the sigma states are reported. (author)

  9. Electron-electron bound states in Maxwell-Chern-Simons-Proca QED{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Belich, H.; Helayel-Neto, J.A. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]|[Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Teoria de Campos e Particulas]. E-mail: belich@cbpf.br; helayel@gft.ucp.br; Del Cima, O.M. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]. E-mail: delcima@gft.ucp.br; Ferreira, M.M. Jr. [Grupo de Fisica Teorica Jose Leite Lopes, Petropolis, RJ (Brazil)]|[Maranhao Univ., Sao Luis, MA (Brazil). Dept. de Fisica]. E-mail: manojr@cbpf.br

    2002-10-01

    We start from a parity-breaking MCS QED{sub 3} model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e{sup -}e{sup -} - bound state. Three expressions (V{sub eff{down_arrow}}{sub {down_arrow}}, V{sub eff{down_arrow}}{sub {up_arrow}}, V{sub eff{down_arrow}}{sub {down_arrow}}) are obtained according to the polarization state of the scattered electrons. In an energy scale compatible with condensed matter electronic excitations, these potentials become degenerated. The resulting potential is implemented in the Schroedinger equation and the variational method is applied to carry out the electronic binding energy. The resulting binding energies in the scale of 10-100 meV and a correlation length in the scale of 10 - 30 Angstrom are possible indications that the MCS-QED{sub 3} model adopted may be suitable to address an eventual case of e{sup -}e{sup -} pairing in the presence of parity-symmetry breakdown. The data analyzed here suggest an energy scale of 10-100 meV to fix the breaking of the U(1)-symmetry. (author)

  10. σ-SCF: A direct energy-targeting method to mean-field excited states

    Science.gov (United States)

    Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D.; Van Voorhis, Troy

    2017-12-01

    The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry—a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states—ground or excited—are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

  11. Localization of Dirac-like excitations in graphene in the presence of smooth inhomogeneous magnetic fields.

    Science.gov (United States)

    Roy, Pratim; Ghosh, Tarun Kanti; Bhattacharya, Kaushik

    2012-02-08

    The present paper discusses magnetic confinement of the Dirac excitations in graphene in the presence of inhomogeneous magnetic fields. In the first case a magnetic field directed along the z axis whose magnitude is proportional to 1/r is chosen. In the next case we choose a more realistic magnetic field which does not blow up at the origin and gradually fades away from the origin. The magnetic fields chosen do not have any finite/infinite discontinuity for finite values of the radial coordinate. The novelty of the two magnetic fields is related to the equations which are used to find the excited spectra of the excitations. It turns out that the bound state solutions of the two-dimensional hydrogen atom problem are related to the spectra of graphene excitations in the presence of the 1/r (inverse-radial) magnetic field. For the other magnetic field profile one can use the knowledge of the bound state spectrum of a two-dimensional cutoff Coulomb potential to dictate the excitation spectra of graphene. The spectrum of the graphene excitations in the presence of the inverse-radial magnetic field can be exactly solved while the other case cannot be. In the later case we give the localized solutions of the zero-energy states in graphene.

  12. Universal bounds in even-spin CFTs

    Energy Technology Data Exchange (ETDEWEB)

    Qualls, Joshua D. [Department of Physics, National Taiwan University,Taipei, Taiwan (China)

    2015-12-01

    We prove using invariance under the modular S− and ST−transformations that every unitary two-dimensional conformal field theory (CFT) having only even-spin primary operators (with no extended chiral algebra and with right- and left-central charges c,c̃>1) contains a primary operator with dimension Δ{sub 1} satisfying 0<Δ{sub 1}<((c+c̃)/24)+0.09280…. After deriving both analytical and numerical bounds, we discuss how to extend our methods to bound higher conformal dimensions before deriving lower and upper bounds on the number of primary operators in a given energy range. Using the AdS{sub 3}/CFT{sub 2} dictionary, the bound on Δ{sub 1} proves the lightest massive excitation in appropriate theories of 3D matter and gravity with cosmological constant Λ<0 can be no heavier than 1/8G{sub N}+O(√(−Λ)); the bounds on the number of operators are related via AdS/CFT to the entropy of states in the dual gravitational theory. In the flat-space approximation, the limiting mass is exactly that of the lightest BTZ black hole.

  13. Inelastic scattering of {sup 9}Li and excitation mechanism of its first excited state

    Energy Technology Data Exchange (ETDEWEB)

    Al Falou, H. [Astronomy and Physics Department, Saint Mary' s University, Halifax, Nova Scotia B3H 3C3 (Canada); TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Kanungo, R., E-mail: ritu@triumf.ca [Astronomy and Physics Department, Saint Mary' s University, Halifax, Nova Scotia B3H 3C3 (Canada); Andreoiu, C.; Cross, D.S. [Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); Davids, B.; Djongolov, M. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Gallant, A.T. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Department of Physics, University of British Columbia, British Columbia V6T 1Z4 (Canada); Galinski, N.; Howell, D. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Department of Physics, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); Kshetri, R.; Niamir, D. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Orce, J.N. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Department of Physics, University of the Western Cape, P/B X17, Bellville, ZA-7535 (South Africa); Shotter, A.C. [Department of Physics and Astronomy, University of Edinburgh, Edinburgh (United Kingdom); Sjue, S. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Tanihata, I. [Research Center for Nuclear Physics, Osaka University, Mihogaoka, Ibaraki, Osaka 567 0047 (Japan); Thompson, I.J. [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States); Triambak, S. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Uchida, M. [Astronomy and Physics Department, Saint Mary' s University, Halifax, Nova Scotia B3H 3C3 (Canada); Walden, P. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Wiringa, R.B. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2013-04-25

    The first measurement of inelastic scattering of {sup 9}Li from deuterons at the ISAC facility is reported. The measured angular distribution for the first excited state confirms the nature of excitation to be an E2 transition. The quadrupole deformation parameter is extracted from an analysis of the angular distribution.

  14. Possible Existence of (cc¯)–Nucleus Bound States

    International Nuclear Information System (INIS)

    Yokota, Akira; Oka, Makoto; Hiyama, Emiko

    2014-01-01

    Charmonium (cc¯) bound states in few-nucleon systems, 2 H, 4 He and 8 Be, are studied via Gaussian Expansion Method (GEM). We adopt a Gaussian potential as an effective (cc¯)–nucleon (N) interaction. The relation between two-body (cc¯)–N scattering length a cc¯−N and the binding energies B of (cc¯)–nucleus bound states are given. Recent lattice QCD data of a cc¯−N corresponds to B≃0.5 MeV for (cc¯)− 4 He and 2 MeV for (cc¯)− 8 Be in our results. (author)

  15. Lifetime and g-factor measurements of excited states using Coulomb excitation and alpha transfer reactions

    Energy Technology Data Exchange (ETDEWEB)

    Guevara, Z. E., E-mail: zjguevaram@unal.edu.co; Torres, D. A., E-mail: datorresg@unal.edu.co [Physics Department, Universidad Nacional de Colombia, Bogotá D.C. (Colombia)

    2016-07-07

    In this contribution the challenges in the use of a setup to simultaneously measure lifetimes and g-factor values will be presented. The simultaneous use of the transient field technique and the Doppler Shift Attenuation Method, to measure magnetic moments and lifetimes respectively, allows to obtain a complete characterization of the currents of nucleons and the deformation in excited states close to the ground state. The technique is at the moment limited to Coulomb excitation and alpha-transfer reactions, what opens an interesting perspective to consider this type of experiments with radioactive beams. The use of deep-inelastic and fusion-evaporation reactions will be discussed. An example of a setup that makes use of a beam of {sup 106}Cd to study excited states of {sup 110}Sn and the beam nuclei itself will be presented.

  16. The Sommerfeld enhancement for dark matter with an excited state

    International Nuclear Information System (INIS)

    Slatyer, Tracy R.

    2010-01-01

    We present an analysis of the Sommerfeld enhancement to dark matter annihilation in the presence of an excited state, where the interaction inducing the enhancement is purely off-diagonal, such as in models of exciting or inelastic dark matter. We derive a simple and accurate semi-analytic approximation for the s-wave enhancement, which is valid provided the mass splitting between the ground and excited states is not too large, and discuss the cutoff of the enhancement for large mass splittings. We reproduce previously derived results in the appropriate limits, and demonstrate excellent agreement with numerical calculations of the enhancement. We show that the presence of an excited state leads to generically larger values of the Sommerfeld enhancement, larger resonances, and shifting of the resonances to lower mediator masses. Furthermore, in the presence of a mass splitting the enhancement is no longer a monotonic function of velocity: the enhancement where the kinetic energy is close to that required to excite the higher state can be up to twice as large as the enhancement at zero velocity

  17. The excited states of 79Kr

    International Nuclear Information System (INIS)

    Liptak, J.; Kristiak, J.; Kristiakova, K.

    1977-01-01

    The β + -decay of 79 Rb has been studied with Ge(Li) detectors in single and coincidence modes. The half-life of the 147.06 keV level in 79 Kr has been determined to be (78+-6) ns. The relative electron intensities of seventeen transitions have been measured with a magnetic Si(Li) spectrometer. The internal conversion coefficients have been determined. The transition multipolarities have been deduced. The spin-parity assignments have been made for excited states of 79 Kr and a β-decaying sta 79 Rb(5/2 + ). The structure of excited states in 79 Kr is discussed in the framework of the Alaga and Coriolis coupling models. It is shown that the properties of some levels in 79 Kr can be explained by the existence of relatively pure rotational bands

  18. Heavy-to-light form factors for non-relativistic bound states

    International Nuclear Information System (INIS)

    Bell, G.; Feldmann, Th.

    2007-01-01

    We investigate transition form factors between non-relativistic QCD bound states at large recoil energy. Assuming the decaying quark to be much heavier than its decay product, the relativistic dynamics can be treated according to the factorization formula for heavy-to-light form factors obtained from the heavy-quark expansion in QCD. The non-relativistic expansion determines the bound-state wave functions to be Coulomb-like. As a consequence, one can explicitly calculate the so-called 'soft-overlap' contribution to the transition form factor

  19. 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.

  20. Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces.

    Science.gov (United States)

    Kowalski, Karol

    2009-05-21

    In this article we discuss the problem of proper balancing of the noniterative corrections to the ground- and excited-state energies obtained with approximate coupled cluster (CC) and equation-of-motion CC (EOMCC) approaches. It is demonstrated that for a class of excited states dominated by single excitations and for states with medium doubly excited component, the newly introduced nested variant of the method of moments of CC equations provides mathematically rigorous way of balancing the ground- and excited-state correlation effects. The resulting noniterative methodology accounting for the effect of triples is tested using its parallel implementation on the systems, for which iterative CC/EOMCC calculations with full inclusion of triply excited configurations or their most important subset are numerically feasible.

  1. Closed form bound-state perturbation theory

    Directory of Open Access Journals (Sweden)

    Ollie J. Rose

    1980-01-01

    Full Text Available The perturbed Schrödinger eigenvalue problem for bound states is cast into integral form using Green's Functions. A systematic algorithm is developed and applied to the resulting equation giving rise to approximate solutions expressed as functions of the given perturbation parameter. As a by-product, convergence radii for the traditional Rayleigh-Schrödinger and Brillouin-Wigner perturbation theories emerge in a natural way.

  2. Tunneling spectroscopy of quasiparticle bound states in a spinful Josephson junction.

    Science.gov (United States)

    Chang, W; Manucharyan, V E; Jespersen, T S; Nygård, J; Marcus, C M

    2013-05-24

    The spectrum of a segment of InAs nanowire, confined between two superconducting leads, was measured as function of gate voltage and superconducting phase difference using a third normal-metal tunnel probe. Subgap resonances for odd electron occupancy-interpreted as bound states involving a confined electron and a quasiparticle from the superconducting leads, reminiscent of Yu-Shiba-Rusinov states-evolve into Kondo-related resonances at higher magnetic fields. An additional zero-bias peak of unknown origin is observed to coexist with the quasiparticle bound states.

  3. On bound states of photons in noncommutative U(1) gauge theory

    International Nuclear Information System (INIS)

    Fatollahi, A.H.; Jafari, A.

    2006-01-01

    We consider the possibility that photons of noncommutative U(1) gauge theory can make bound states. Using the potential model, developed based on the constituent gluon picture of QCD glue-balls, arguments are presented in favor of the existence of these bound states. The basic ingredient of the potential model is that the self-interacting massless gauge particles may get mass by the inclusion of non-perturbative effects. (orig.)

  4. Doubly and triply excited states for different plasma sources

    International Nuclear Information System (INIS)

    More, R.M.; Safronova, U.I.

    2000-01-01

    Autoionizing rates of doubly excited states as nln'l' configurations with n=2-9 and n'=2-9 are calculated. Analytical expressions of decay amplitude for two-electron system are derived. Expressions for autoionizing rates with averaging over LS are obtained for many-electron systems. The n and l dependence of doubly excited states as nln'l' configurations are investigated. (author)

  5. Examination of excited state populations in sputtering using Multiphoton Resonance Ionization

    International Nuclear Information System (INIS)

    Kimock, F.M.; Baxter, J.P.; Pappas, D.L.; Kobrin, P.H.; Winograd, N.

    1984-01-01

    Multiphoton Resonance Ionization has been employed to study the populations of excited state atoms ejected from ion bombarded metal surfaces. Preliminary investigations have focused on three model systems: aluminum, indium and cobalt. In this paper the authors examine the effect of primary ion energy (2 to 12 keV Ar + ) on excited state yields for these three systems. The influence of the sample matrix on excited state populations of sputtered atoms is also discussed

  6. Electron excitation of alkali atoms

    International Nuclear Information System (INIS)

    Ormonde, S.

    1979-02-01

    The development and testing of a synthesized close-coupling effective model potential ten-channel electron-atom scattering code and some preliminary calculations of resonances in cross sections for the excitation of excited states of potassium by low energy electrons are described. The main results obtained are: identification of 1 S and 1 D structures in excitation cross sections below the 5 2 S threshold of neutral potassium; indications of additional structures - 1 P and 1 D between the 5 2 S and 5 2 D thresholds; and a suggested explanation of anomalously high interstate-electron impact excitation cross sections inferred from experiments on potassium-seeded plasmas. The effective potential model imbedded in the code can be used to simulate any atomic system that can be approximated by a single bound electron outside an ionic core. All that is needed is a set of effective potential parameters--experimental or theoretical. With minor modifications the code could be adapted to calculations of electron scattering by two-electron systems

  7. Three-body Coulomb bound states

    Science.gov (United States)

    Bhatia, A. K.; Drachman, Richard J.

    1987-01-01

    The binding energies of three-particle systems containing two electrons and one positive particle of mass M are reexamined in an attempt to understand the approximate proportionality of the 1Se ground-state binding energies of the reduced masses, as pointed out by Botero and Green (1986). The contribution to the energy of the mass-polarization term is evaluated. No fundamental principle is involved, since the mass polarization merely decreases somewhat as the mass of the positive particle is reduced below the proton mass. In the case of the excited 3Pe state, this reduction is not sufficient to allow binding when M approaches the electron mass. Some properties of the recently observed negative muonium ion (e/-/ mu/+/ e/-/) are also computed.

  8. Analytical study of doubly excited ridge states

    International Nuclear Information System (INIS)

    Wong, H.Y.

    1988-01-01

    Two different non-separable problems are explored and analyzed. Non-perturbative methods need to be used to handle them, as the competing forces involved in these problems are equally strong and do not yield to a perturbative analysis. The first one is the study of doubly excited ridge states of atoms, in which two electrons are comparably excited. An analytical wavefunction for such states is introduced and is used to solve the two-electron Hamiltonian in the pair coordinates called hyperspherical coordinates variationally. The correlation between the electrons is built in analytically into the structure of the wavefunction. Sequences of ridge states out to very high excitation are computed and are organized as Rydberg series converging to the double ionization limit. Numerical results of such states in He and H - are compared with other theoretical calculations where available. The second problem is the analysis of the photodetachment of negative ions in an electric field via the frame transformation theory. The presence of the electron field requires a transformation from spherical to cylindrical symmetry for the outgoing photoelectron. This gives an oscillatory modulating factor as the effect of the electric field on cross-sections. All of this work is derived analytically in a general form applicable to the photodetachment of any negative ion. The expressions are applied to H - and S - for illustration

  9. Dinamical polarizability of highly excited hydrogen-like states

    International Nuclear Information System (INIS)

    Delone, N.B.; Krajnov, V.P.

    1982-01-01

    Analytic expressions are derived for the dynamic polarizability of highly excited hydrogen-like atomic states. It is shown that in the composite matrix element which determines the dynamic polarizability there is a strong compensation of the terms as a result of which the resulting magnitude of the dynamic polarizability is quasiclasically small compared to the individual terms of the composite matrix. It is concluded that the resonance behaviour of the dynamic polarizability of highly excited states differs significantly from the resonance behaviour of the polarizability for the ground and low-lying atomic states. The static limit and high-frequency limit of on electromagnetic field are considered

  10. Bound states in the two-dimension massive quantum electrodynamics (Qed2)

    International Nuclear Information System (INIS)

    Alves, V.S.; Gomes, M.

    1994-01-01

    This work studies the fermion-antifermion bound states in the (1+1)D two-dimension massive quantum electrodynamic in the 1/N expansion. The scattering matrices in the non-relativistic approximation have been calculated through TQC, and compared with the cross section in the Born approximation, and therefore the potential responsible by the interactions in the scattering processes have been obtained. Using Schroedinger equation, the existence of possible bound states have been investigated

  11. Excitation of non-normal parity states by inelastic proton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Emery, G. T. [Indiana Univ. (USA). Cyclotron Facility; Ikegami, Hidetsugu; Muraoka, Mitsuo [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

    1980-01-01

    This is a review of the works done at the Indiana University Cyclotron Facility. The purposes of works are to find excitations that should have especially simple particle-hole structure in proton inelastic scattering, to use the data on these excitations to try to understand the mechanism and the effective interaction for the (p, p') reaction in this energy range, and to go on to study the nuclear structure involved in less simple excitation. As an example, the single-nucleon level diagram for the region of Si-28 is presented. A high spin state was made, and its spin-parity was 6/sup -/. It was tried to interpret the data in terms of a on-step distorted-wave impulse approximation. The optical model parameters derived from the extensive and precise elastic scattering results were used. The cross sections for the excitation of the 6/sup -/ states found in various reactions were not large. The T = 1 state is mainly excited by the direct tensor interaction, while the T = 0 state gets its strength mainly from the knock-on exchange contribution of both the tensor and spin-orbit interactions. Experiments on Pb-208 and Fe-54 are being performed.

  12. Examination of excited state populations in sputtering using multiphoton resonance ionization

    International Nuclear Information System (INIS)

    Kimock, F.M.; Baxter, J.P.; Pappas, D.L.; Kobrin, P.H.; Winograd, N.

    1984-01-01

    Multiphoton Resonance Ionization has been employed to study the populations of excited state atoms ejected from ion bombarded metal surfaces. Preliminary investigations have focused on three model systems: aluminum, indium and cobalt. In this paper we examine the effect of primary ion energy (2 to 12 keV Ar + ) on excited state yields for these three systems. The influence of the sample matrix on excited state populations of sputtered atoms is also discussed. 8 refs., 4 figs

  13. Hyperon polarizabilities in the bound-state soliton model

    International Nuclear Information System (INIS)

    Gobbi, C.; Scoccola, N.N.

    1996-01-01

    A detailed calculation of electric and magnetic static polarizabilities of octet hyperons is presented in the framework of the bound-state soliton model. Both seagull and dispersive contributions are considered, and the results are compared with different model predictions. (orig.)

  14. K-nuclear bound states in a dynamical model

    Czech Academy of Sciences Publication Activity Database

    Mareš, Jiří; Friedman, E.; Gal, A.

    2006-01-01

    Roč. 770, 1/2 (2006), s. 84-105 ISSN 0375-9474 Institutional research plan: CEZ:AV0Z10480505 Keywords : kaonic atoms * K-nuclear bound states * K-nucleus interaction Subject RIV: BE - Theoretical Physics Impact factor: 2.155, year: 2006

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

    International Nuclear Information System (INIS)

    Lee, Ingu; Pang, Yoonsoo; Lee, Sebok

    2014-01-01

    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 2 and S 1 excited states

  16. Cathodoluminescence imaging and spectroscopy of excited states in InAs self-assembled quantum dots

    International Nuclear Information System (INIS)

    Khatsevich, S.; Rich, D.H.; Kim, Eui-Tae; Madhukar, A.

    2005-01-01

    We have examined state filling and thermal activation of carriers in buried InAs self-assembled quantum dots (SAQDs) with excitation-dependent cathodoluminescence (CL) imaging and spectroscopy. The InAs SAQDs were formed during molecular-beam epitaxial growth of InAs on undoped planar GaAs (001). The intensities of the ground- and excited-state transitions were analyzed as a function of temperature and excitation density to study the thermal activation and reemission of carriers. The thermal activation energies associated with the thermal quenching of the luminescence were measured for ground- and excited-state transitions of the SAQDs, as a function of excitation density. By comparing these activation energies with the ground- and excited-state transition energies, we have considered various processes that describe the reemission of carriers. Thermal quenching of the intensity of the QD ground- and first excited-state transitions at low excitations in the ∼230-300-K temperature range is attributed to dissociation of excitons from the QD states into the InAs wetting layer. At high excitations, much lower activation energies of the ground and excited states are obtained, suggesting that thermal reemission of single holes from QD states into the GaAs matrix is responsible for the observed temperature dependence of the QD luminescence in the ∼230-300-K temperature range. The dependence of the CL intensity of the ground-and first excited-state transition on excitation density was shown to be linear at all temperatures at low-excitation density. This result can be understood by considering that carriers escape and are recaptured as excitons or correlated electron-hole pairs. At sufficiently high excitations, state-filling and spatial smearing effects are observed together with a sublinear dependence of the CL intensity on excitation. Successive filling of the ground and excited states in adjacent groups of QDs that possess different size distributions is assumed to

  17. 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

    . The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... 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...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....

  18. Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states; Excitation et ionisation des atomes d'hydrogene et d'helium par des impulsions laser femtosecondes: approche theorique par des etats de Coulomb-Volkov

    Energy Technology Data Exchange (ETDEWEB)

    Guichard, R

    2007-12-15

    We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when {Dirac_h}{omega} > I{sub p}: it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with {Dirac_h}{omega} < I{sub p}: new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

  19. DILEPTON YIELD FROM THE DECAY OF EXCITED SI-28 STATES

    NARCIS (Netherlands)

    BACELAR, JC; BUDA, A; BALANDA, A; KRASZNAHORKAY, A; VANDERPLOEG, H; SUJKOWSKI, Z; VANDERWOUDE, A

    1994-01-01

    The first dilepton yield measurements from excited nuclear states obtained with a new Positron-Electron Pair Spectroscopic Instrument (PEPSI) are reported. Nuclear states in Si-28, with an initial excitation energy E* = 50 MeV, were populated via the isospin T = 0 reaction He-4 + Mg-24 and the

  20. 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.

  1. Interference between radiative emission and autoionization in the decay of excited states of atoms

    International Nuclear Information System (INIS)

    Armstrong, L. Jr.; Theodosiou, C.E.; Wall, M.J.

    1978-01-01

    An excited state of an atom which can autoionize can also undergo radiative decay. We consider the interaction between the final states resulting from these two modes of decay, and its effects on such quantities as the fluorescence yield of the excited state, excitation profile of the excited state, and the spectra of the emitted photons and electrons. It is shown that the fraction of decays of the excited state resulting in a photon (fluorescence yield) is particularly sensitive to the details of the final-state interaction. In lowest order in the final-state interaction, the fluorescence yield is increased by a factor (1 + 1/q 2 ) from the traditional value, where q is the Fano q parameter relating to the excited state and the final atomic state

  2. Inefficiency and classical communication bounds for conversion between partially entangled pure bipartite states

    International Nuclear Information System (INIS)

    Fortescue, Ben; Lo, H.-K.

    2005-01-01

    We derive lower limits on the inefficiency and classical communication costs of dilution between two-term bipartite pure states that are partially entangled. We first calculate explicit relations between the allowable error and classical communication costs of entanglement dilution using a previously described protocol, then consider a two-stage dilution from singlets with this protocol followed by some unknown protocol for conversion between partially entangled states. Applying overall lower bounds on classical communication and inefficiency to this two-stage protocol, we derive bounds for the unknown protocol. In addition we derive analogous (but looser) bounds for general pure states

  3. The influence of autoionizing states on the excitation of helium by electrons

    International Nuclear Information System (INIS)

    Ittersum, T. van

    1976-01-01

    The work described in this thesis deals with resonance effects in the scattering of electrons by helium at energies near the threshold of the autoionizing states (50-70 eV). The investigation is performed by studying light emission following the excitation of singly excited states. In some cases, the polarization of the radiation was also investigated. The purpose of the research was (i) to enlarge our knowledge of triply excited negative ion states, i.e. resonance states which are formed by temporary binding of the incident electron to a doubly excited (autoionizing) state of neutral helium, and (ii) to clear up the nature of some resonance structures which could not be explained in terms of negative ion resonances

  4. Bound states and scattering in four-body systems

    International Nuclear Information System (INIS)

    Narodetsky, I.M.

    1979-01-01

    It is the purpose of this review to provide the clear and elementary introduction in the integral equation method and to demonstrate explicitely its usefulness for the physical applications. The existing results concerning the application of the integral equation technique for the four-nucleon bound states and scattering are reviewed.The treatment is based on the quasiparticle approach that permits the simple interpretation of the equations in terms of quasiparticle scattering. The mathematical basis for the quasiparticle approach is the Hilbert-Schmidt theorem of the Fredholm integral equation theory. This paper contains the detailed discussion of the Hilbert-Schmidt expansion as applied to the 2-particle amplitudes and to the 3 + 1 and 2 + 2 amplitudes which are the kernels of the four-body equations. The review contains essentially the discussion of the four-body quasiparticle equations and results obtained for bound states and scattering

  5. Fano-type coupling of a bound paramagnetic state with 2D continuum

    International Nuclear Information System (INIS)

    Rozhansky, I. V.; Averkiev, N. S.; Lähderanta, E.

    2013-01-01

    We analyze an effect of a bound impurity state located at a tunnel distance from a quantum well (QW). The study is focused on the resonance case when the bound state energy lies within the continuum of the QW states. Using the developed theory we calculate spin polarization of 2D holes induced by paramagnetic (Mn) delta-layer in the vicinity of the QW and indirect exchange interaction between two impurities located at a tunnel distance from electron gas

  6. Excited-state relaxation of some aminoquinolines

    Directory of Open Access Journals (Sweden)

    2006-01-01

    Full Text Available The absorption and fluorescence spectra, fluorescence quantum yields and lifetimes, and fluorescence rate constants ( k f of 2-amino-3-( 2 ′ -benzoxazolylquinoline (I, 2-amino-3-( 2 ′ -benzothiazolylquinoline (II, 2-amino-3-( 2 ′ -methoxybenzothiazolyl-quinoline (III, 2-amino-3-( 2 ′ -benzothiazolylbenzoquinoline (IV at different temperatures have been measured. The shortwavelength shift of fluorescence spectra of compounds studied (23–49 nm in ethanol as the temperature decreases (the solvent viscosity increases points out that the excited-state relaxation process takes place. The rate of this process depends essentially on the solvent viscosity, but not the solvent polarity. The essential increasing of fluorescence rate constant k f (up to about 7 times as the solvent viscosity increases proves the existence of excited-state structural relaxation consisting in the mutual internal rotation of molecular fragments of aminoquinolines studied, followed by the solvent orientational relaxation.

  7. 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.

  8. Lower bounds on scintillation detector timing performance

    International Nuclear Information System (INIS)

    Clinthorne, N.H.; Rogers, W.L.; Hero, A.O. III.; Petrick, N.A.

    1990-01-01

    Fundamental method-independent limits on the timing performance of scintillation detectors are useful for identifying regimes in which either present timing methods are nearly optimal or where a considerable performance gain might be realized using better pulse processing techniques. Several types of lower bounds on mean-squared timing error (MSE) performance have been developed and applied to scintillation detectors. The simple Cramer-Rao (CR) bound can be useful in determining the limiting MSE for scintillators having a relatively high rate of photon problction such as BaF 2 and NaI(Tl); however, it tends to overestimate the achievalbe performance for scintillators with lower rates such as BGO. For this reason, alternative bounds have been developed using rate-distortion theory or by assuming that the conversion of energy to scintillation light must pass through excited states which have exponential lifetime densities. The bounds are functions of the mean scintillation pulse shape, the scintillation intensity, and photodetector characteristics; they are simple to evaluate and can be used to conveniently assess the limiting timing performance of scintillation detectors. (orig.)

  9. Excited state dynamics of beta-carotene explored with dispersed multi-pulse transient absorption

    NARCIS (Netherlands)

    Larsen, D.S.; Papagiannakis, E.; van Stokkum, I.H.M.; Vengris, M.; Kennis, J.T.M.; van Grondelle, R.

    2003-01-01

    The excited-state dynamics of β-carotene in hexane was studied with dispersed ultrafast transient absorption techniques. A new excited state is produced after blue-edge excitation. Pump-repump-probe and pump-dump-probe measurements identified and characterized this state, termed S‡, which exhibits a

  10. Quantum entanglement of localized excited states at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Caputa, Paweł [Yukawa Institute for Theoretical Physics (YITP), Kyoto University,Kyoto 606-8502 (Japan); Nordita, KTH Royal Institute of Technology and Stockholm University,Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden); Simón, Joan; Štikonas, Andrius [School of Mathematics and Maxwell Institute for Mathematical Sciences,University of Edinburgh,King’s Buildings, Edinburgh EH9 3FD (United Kingdom); Takayanagi, Tadashi [Yukawa Institute for Theoretical Physics (YITP), Kyoto University,Kyoto 606-8502 (Japan); Kavli Institute for the Physics and Mathematics of the Universe (Kavli IPMU),University of Tokyo,Kashiwa, Chiba 277-8582 (Japan)

    2015-01-20

    In this work we study the time evolutions of (Renyi) entanglement entropy of locally excited states in two dimensional conformal field theories (CFTs) at finite temperature. We consider excited states created by acting with local operators on thermal states and give both field theoretic and holographic calculations. In free field CFTs, we find that the growth of Renyi entanglement entropy at finite temperature is reduced compared to the zero temperature result by a small quantity proportional to the width of the localized excitations. On the other hand, in finite temperature CFTs with classical gravity duals, we find that the entanglement entropy approaches a characteristic value at late time. This behaviour does not occur at zero temperature. We also study the mutual information between the two CFTs in the thermofield double (TFD) formulation and give physical interpretations of our results.

  11. Excitation mechanism in the photoisomerization of a surface-bound azobenzene derivative: Role of the metallic substrate

    Science.gov (United States)

    Hagen, Sebastian; Kate, Peter; Leyssner, Felix; Nandi, Dhananjay; Wolf, Martin; Tegeder, Petra

    2008-10-01

    Two-photon photoemission spectroscopy is employed to elucidate the electronic structure and the excitation mechanism in the photoinduced isomerization of the molecular switch tetra-tert-butyl-azobenzene (TBA) adsorbed on Au(111). Our results demonstrate that the optical excitation and the mechanism of molecular switching at a metal surface is completely different compared to the corresponding process for the free molecule. In contrast to direct (intramolecular) excitation operative in the isomerization in the liquid phase, the conformational change in the surface-bound TBA is driven by a substrate-mediated charge transfer process. We find that photoexcitation above a threshold hν ≈2.2 eV leads to hole formation in the Au d-band followed by a hole transfer to the highest occupied molecular orbital of TBA. This transiently formed positive ion resonance subsequently results in a conformational change. The photon energy dependent photoisomerization cross section exhibit an unusual shape for a photochemical reaction of an adsorbate on a metal surface. It shows a thresholdlike behavior below hν ≈2.2 eV and above hν ≈4.4 eV. These thresholds correspond to the minimum energy required to create single or multiple hot holes in the Au d-bands, respectively. This study provides important new insights into the use of light to control the structure and function of molecular switches in direct contact with metal electrodes.

  12. Excitation mechanism in the photoisomerization of a surface-bound azobenzene derivative: Role of the metallic substrate

    International Nuclear Information System (INIS)

    Hagen, Sebastian; Kate, Peter; Leyssner, Felix; Nandi, Dhananjay; Wolf, Martin; Tegeder, Petra

    2008-01-01

    Two-photon photoemission spectroscopy is employed to elucidate the electronic structure and the excitation mechanism in the photoinduced isomerization of the molecular switch tetra-tert-butyl-azobenzene (TBA) adsorbed on Au(111). Our results demonstrate that the optical excitation and the mechanism of molecular switching at a metal surface is completely different compared to the corresponding process for the free molecule. In contrast to direct (intramolecular) excitation operative in the isomerization in the liquid phase, the conformational change in the surface-bound TBA is driven by a substrate-mediated charge transfer process. We find that photoexcitation above a threshold hν≅2.2 eV leads to hole formation in the Au d-band followed by a hole transfer to the highest occupied molecular orbital of TBA. This transiently formed positive ion resonance subsequently results in a conformational change. The photon energy dependent photoisomerization cross section exhibit an unusual shape for a photochemical reaction of an adsorbate on a metal surface. It shows a thresholdlike behavior below hν≅2.2 eV and above hν≅4.4 eV. These thresholds correspond to the minimum energy required to create single or multiple hot holes in the Au d-bands, respectively. This study provides important new insights into the use of light to control the structure and function of molecular switches in direct contact with metal electrodes.

  13. Dielectronic recombination rate coefficients to the excited states of CI from CII

    International Nuclear Information System (INIS)

    Dubau, J.; Kato, T.; Safronova, U.I.

    1998-01-01

    The dielectronic recombination rate coefficients to the excited states for n=2-6 are calculated including 1s 2 2l 1 2l 2 2l 3 nl (n=2-6, l≤(n-1)) states. The values for the excited states higher than n=6 are extrapolated and the total dielectronic recombination rate coefficients are derived. The rate coefficients to the excited states are fitted to an analytical formula and the fit parameters are given. (author)

  14. Excited-state dynamics of acetylene excited to individual rotational level of the V04K01 subband

    Science.gov (United States)

    Makarov, Vladimir I.; Kochubei, Sergei A.; Khmelinskii, Igor V.

    2006-01-01

    Dynamics of the IR emission induced by excitation of the acetylene molecule using the (32Ka0,1,2,ÃAu1←41la1,X˜Σg+1) transition was investigated. The observed IR emission was assigned to transitions between the ground-state vibrational levels. Acetylene fluorescence quenching induced by external electric and magnetic fields acting upon the system prepared using the (34Ka1,ÃAu1←00la0,X˜Σg+1) excitation was also studied. External electric field creates an additional radiationless pathway to the ground-state levels, coupling levels of the ÃAu1 excited state to the quasiresonant levels of the X˜Σg+1 ground state. The level density of the ground state in the vicinity of the excited state is very high, thus the electric-field-induced transition is irreversible, with the rate constant described by the Fermi rule. Magnetic field alters the decay profile without changing the fluorescence quantum yield in collisionless conditions. IR emission from the CCH transient was detected, and was also affected by the external electric and magnetic fields. Acetylene predissociation was demonstrated to proceed by the direct S1→S0 mechanism. The results were explained using the previously developed theoretical approach, yielding values of the relevant model parameters.

  15. Excited state properties of aryl carotenoids

    Czech Academy of Sciences Publication Activity Database

    Fuciman, M.; Chábera, P.; Župčanová, Anita; Hříbek, P.; Arellano, J.B.; Vácha, František; Pšenčík, J.; Polívka, Tomáš

    2010-01-01

    Roč. 12, č. 13 (2010), s. 3112-3120 ISSN 1463-9076 R&D Projects: GA AV ČR IAA608170604 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoids * excited-states * femtosecond spectroscopy Subject RIV: BO - Biophysics Impact factor: 3.454, year: 2010

  16. Spectroscopic properties of the S1 state of linear carotenoids after excess energy excitation

    Science.gov (United States)

    Kuznetsova, Valentyna; Southall, June; Cogdell, Richard J.; Fuciman, Marcel; Polívka, Tomáš

    2017-09-01

    Properties of the S1 state of neurosporene, spheroidene and lycopene were studied after excess energy excitation in the S2 state. Excitation of carotenoids into higher vibronic levels of the S2 state generates excess vibrational energy in the S1 state. The vibrationally hot S1 state relaxes faster when carotenoid is excited into the S2 state with excess energy, but the S1 lifetime remains constant regardless of which vibronic level of the S2 state is excited. The S∗ signal depends on excitation energy only for spheroidene, which is likely due to asymmetry of the molecule, facilitating conformations responsible for the S∗ signal.

  17. Generation of bound states of pulses in a SESAM mode-locked Cr:ZnSe laser

    Science.gov (United States)

    Bu, Xiangbao; Shi, Yuhang; Xu, Jia; Li, Huijuan; Wang, Pu

    2018-06-01

    We report on the generation of bound states of pulses in a SESAM mode-locked Cr:ZnSe laser around 2415 nm. A thulium-doped double-clad fiber laser at 1908 nm was used as the pump source. Bound states with various pulse separations at different dispersion regimes were obtained. Especially, in the anomalous dispersion regime, vibrating bound state of solitons exhibiting an evolving phase was obtained.

  18. Formation and role of excited states in radiolysis - a foreword

    International Nuclear Information System (INIS)

    Singh, A.

    1976-01-01

    It is stated that the choice of contributions to the special issue of this Journal has been limited to those which bear on the details of the mechanisms of excited state formation and are likely to be useful to radiation chemists. Since more than half the energy deposited in radiolysis goes into excitation, studies on the fate of the excited species formed are very important. A brief reference is made to the subject matter of each of the fifteen contributions, and its significance to the development of the technique of radiolysis is outlined. (U.K.)

  19. Dipole-bound states as doorways in (dissociative) electron attachment

    International Nuclear Information System (INIS)

    Sommerfeld, Thomas

    2005-01-01

    This communication starts with a comparison of dissociative recombination and dissociative attachment placing emphasis on the role of resonances as reactive intermediates. The main focus is then the mechanism of electron attachment to polar molecules at very low energies (100 meV). The scheme considered consists of two steps: First, an electron is captured in a diffuse dipole-bound state depositing its energy in the vibrational degrees of freedom, in other words, a vibrational Feshbach resonance is formed. Then, owing to the coupling with a valence state, the electron is transferred into a compact valence orbital, and depending on the electron affinities of the valence state and possible dissociation products, as well as on the details of the intramolecular redistribution of vibrational energy, long-lived anions can be generated or dissociation reactions can be initiated. The key property in this context is the electronic coupling strength between the diffuse dipole-bound and the compact valence states. We describe how the coupling strength can be extracted from ab initio data, and present results for Nitromethane, Uracil and Cyanoacetylene

  20. Local density approximation for exchange in excited-state density functional theory

    OpenAIRE

    Harbola, Manoj K.; Samal, Prasanjit

    2004-01-01

    Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate excitation energies.

  1. Signatures of Majorana bound states in one-dimensional topological superconductors

    International Nuclear Information System (INIS)

    Pientka, Falko

    2014-01-01

    Topological states of matter have fascinated condensed matter physicists for the past three decades. Famous examples include the integer and fractional quantum Hall states exhibiting a spectacular conductance quantization as well as topological insulators in two and three dimensions featuring gapless Dirac fermions at the boundary. Very recently, novel topological phases in superconductors have been subject of intense experimental and theoretical investigation. One-dimensional topological superconductors are particularly intriguing as they host exotic Majorana end states. These are zero-energy bound states with nonabelian exchange statistics potentially useful for topologically protected quantum computing. Recent theoretical and experimental advances have put the realization of Majorana states within reach of current measurement techniques. In this thesis we investigate signatures of Majorana bound states in realistic experiments aiming to improve the theoretical understanding of ongoing experimental efforts and to design novel measurement schemes, which exhibit convincing signatures of Majoranas. In particular we account for nonideal experimental conditions which can lead to qualitatively new features. Possible signatures of Majoranas can be accessed in the Josephson current through a weak link between two topological superconductors although the signatures in the dc Josephson effect are typically obscured by inevitable quasiparticle relaxation in the superconductor. Here we propose a measurement scheme in mesoscopic superconducting rings, where Majorana signatures persist even for infinitely fast relaxation. In a separate project we outline an alternative to the standard Josephson experiment in topological superconductors based on quantum wires. We delineate how Majoranas can be detected, when the Josephson current is induced by noncollinear magnetic fields applied to the two banks of the junction instead of a superconducting phase difference. Another important

  2. Some simple conditions of bound states of Schroedinger operators in dimension d >= 3

    International Nuclear Information System (INIS)

    Exner, P.

    1984-01-01

    A necessary condition for existence of bound states below a given energy of a Schroedinger operator H=-Δ+V on L 2 (Rsup(d)), d>=3, together with a lower bound to the ground-state energy of H are derived using the Sobolev inequalities. It generalizes some recent results to the dimensions d>3 and to the potentials that are not necessarily rapidly decreasing. Comparison to other known necessary conditions is given. The examples of the d-dimensional hydrogen-like atom and the d-dimensional harmonic oscillator are discussed. In both of them the bound to the ground-state energy becomes remarkably tight for large values of d

  3. On resonances and bound states of Smilansky Hamiltonian

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Lotoreichik, Vladimir; Tater, Miloš

    2016-01-01

    Roč. 7, č. 5 (2016), s. 789-802 ISSN 2220-8054 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : Smilansky Hamiltonian * resonances * resonance free region * weak coupling asymptotics * Riemann surface * bound states Subject RIV: BE - Theoretical Physics

  4. Dielectronic recombination rate coefficients to the excited states of CI from CII

    Energy Technology Data Exchange (ETDEWEB)

    Dubau, J. [Observatoire of Paris, 92 MEUDON (France); Kato, T.; Safronova, U.I.

    1998-01-01

    The dielectronic recombination rate coefficients to the excited states for n=2-6 are calculated including 1s{sup 2}2l{sub 1}2l{sub 2}2l{sub 3}nl (n=2-6, l{<=}(n-1)) states. The values for the excited states higher than n=6 are extrapolated and the total dielectronic recombination rate coefficients are derived. The rate coefficients to the excited states are fitted to an analytical formula and the fit parameters are given. (author)

  5. Excited-state Raman spectroscopy with and without actinic excitation: S1 Raman spectra of trans-azobenzene

    International Nuclear Information System (INIS)

    Dobryakov, A. L.; Quick, M.; Ioffe, I. N.; Granovsky, A. A.; Ernsting, N. P.; Kovalenko, S. A.

    2014-01-01

    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 1 and S 0 spectra of trans-azobenzene in n-hexane. The S 1 spectra were also measured conventionally, upon nπ* (S 0 → S 1 ) actinic excitation. The results are discussed and compared to earlier reports

  6. Excitation and ionization of hydrogen and helium atoms by femtosecond laser pulses: theoretical approach by Coulomb-Volkov states; Excitation et ionisation des atomes d'hydrogene et d'helium par des impulsions laser femtosecondes: approche theorique par des etats de Coulomb-Volkov

    Energy Technology Data Exchange (ETDEWEB)

    Guichard, R

    2007-12-15

    We present a theoretical approach using Coulomb-Volkov states that appears useful for the study of atomic multi-photonic processes induced by intense XUV femtosecond laser pulses. It predicts hydrogen ionization spectra when it is irradiated by laser pulses in perturbations conditions. Three ways have been investigated. Extension to strong fields when {Dirac_h}{omega} > I{sub p}: it requires to include the hydrogen ground state population, introducing it in standard Coulomb-Volkov amplitude leads to saturated multi-photonic ionization. Extension to multi-photonic transitions with {Dirac_h}{omega} < I{sub p}: new quantum paths are open by the possibility to excite the lower hydrogen bound states. Multiphoton excitation of these states is investigated using a Coulomb-Volkov approach. Extension to helium: two-photon double ionization study shows the influence of electronic correlations in both ground and final state. Huge quantity of information such as angular and energetic distributions as well as total cross sections is available. (author)

  7. Bound states in strongly correlated magnetic and electronic systems

    International Nuclear Information System (INIS)

    Trebst, S.

    2002-02-01

    A novel strong coupling expansion method to calculate two-particle spectra of quantum lattice models is developed. The technique can be used to study bosonic and fermionic models and in principle it can be applied to systems in any dimension. A number of strongly correlated magnetic and electronic systems are examined including the two-leg spin-half Heisenberg ladder, the dimerized Heisenberg chain with a frustrating next-nearest neighbor interaction, coupled Heisenberg ladders, and the one-dimensional Kondo lattice model. In the various models distinct bound states are found below the two-particle continuum. Quantitative calculations of the dispersion, coherence length and binding energy of these bound states are used to describe spectroscopic experiments on (Ca,La) 14 Cu 24 O 41 and NaV 2 O 5 . (orig.)

  8. Reduced conservatism in stability robustness bounds by state transformation

    Science.gov (United States)

    Yedavalli, R. K.; Liang, Z.

    1986-01-01

    This note addresses the issue of 'conservatism' in the time domain stability robustness bounds obtained by the Liapunov approach. A state transformation is employed to improve the upper bounds on the linear time-varying perturbation of an asymptotically stable linear time-invariant system for robust stability. This improvement is due to the variance of the conservatism of the Liapunov approach with respect to the basis of the vector space in which the Liapunov function is constructed. Improved bounds are obtained, using a transformation, on elemental and vector norms of perturbations (i.e., structured perturbations) as well as on a matrix norm of perturbations (i.e., unstructured perturbations). For the case of a diagonal transformation, an algorithm is proposed to find the 'optimal' transformation. Several examples are presented to illustrate the proposed analysis.

  9. Microscopic description and excitation of unitary analog states

    Energy Technology Data Exchange (ETDEWEB)

    Kisslinger, L S [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA); Van Giai, N [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire

    1977-12-05

    A microscopic investigation in a self-consistent particle-hole model reveals approximate unitary analog states in spite of large symmetry breaking. The K-nucleus elastic scattering and (K/sup -/, ..pi../sup -/) excitation of these states are studied, showing strong surface effects.

  10. Ultrafast electronic relaxation of excited state vitamin B12 in the gas phase

    International Nuclear Information System (INIS)

    Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoit

    2008-01-01

    The time evolution of electronically excited vitamin B 12 (cyanocobalamin) has been observed for the first time in the gas phase. It reveals an ultrafast decay to a state corresponding to metal excitation. This decay is interpreted as resulting from a ring to metal electron transfer. This opens the observation of the excited state of other complex biomimetic systems in the gas phase, the key to the characterisation of their complex evolution through excited electronic states

  11. Atom and molecule projectile and fast aggregate excitation, ionization and dissociation in thin targets in the out-of-charge equilibrium field

    International Nuclear Information System (INIS)

    Clouvas, A.

    1985-12-01

    The aim of this experimental study is to confirm the possible existence of bound states for light atomic and molecular projectiles inside solid targets, in the MeV energy range. For this purpose we have used, various experimental methods such as charge state distribution measurements, energy loss measurements, beam foil spectroscopy and electron spectroscopy. It was confirmed that bound states of light atomic and molecular projectiles can exist in a solid medium. The various cross sections (charge exchange, excitation, ionisation, dissociation) relative to these bound states have been measured [fr

  12. First 3- excited state of 56Fe

    International Nuclear Information System (INIS)

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

    2010-01-01

    There is no reliable evidence for the existence of the 3.076 MeV (3 - ) level adopted in the ENSDF evaluation for 56 Fe 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 et al. [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 56 Fe(n,n ' γ) reaction was used to populate excited states in 56 Fe. 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 E x =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 56 Fe by observation of two previously known transitions deexciting this state.

  13. 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.

  14. Stability of quantum-dot excited-state laser emission under simultaneous ground-state perturbation

    Energy Technology Data Exchange (ETDEWEB)

    Kaptan, Y., E-mail: yuecel.kaptan@physik.tu-berlin.de; Herzog, B.; Schöps, O.; Kolarczik, M.; Woggon, U.; Owschimikow, N. [Institut für Optik und Atomare Physik, Technische Universität Berlin, Berlin (Germany); Röhm, A.; Lingnau, B.; Lüdge, K. [Institut für Theoretische Physik, Technische Universität Berlin, Berlin (Germany); Schmeckebier, H.; Arsenijević, D.; Bimberg, D. [Institut für Festkörperphysik, Technische Universität Berlin, Berlin (Germany); Mikhelashvili, V.; Eisenstein, G. [Technion Institute of Technology, Faculty of Electrical Engineering, Haifa (Israel)

    2014-11-10

    The impact of ground state amplification on the laser emission of In(Ga)As quantum dot excited state lasers is studied in time-resolved experiments. We find that a depopulation of the quantum dot ground state is followed by a drop in excited state lasing intensity. The magnitude of the drop is strongly dependent on the wavelength of the depletion pulse and the applied injection current. Numerical simulations based on laser rate equations reproduce the experimental results and explain the wavelength dependence by the different dynamics in lasing and non-lasing sub-ensembles within the inhomogeneously broadened quantum dots. At high injection levels, the observed response even upon perturbation of the lasing sub-ensemble is small and followed by a fast recovery, thus supporting the capacity of fast modulation in dual-state devices.

  15. Measuring 13Cβ chemical shifts of invisible excited states in proteins by relaxation dispersion NMR spectroscopy

    International Nuclear Information System (INIS)

    Lundstroem, Patrik; Lin Hong; Kay, Lewis E.

    2009-01-01

    A labeling scheme is introduced that facilitates the measurement of accurate 13 C β chemical shifts of invisible, excited states of proteins by relaxation dispersion NMR spectroscopy. The approach makes use of protein over-expression in a strain of E. coli in which the TCA cycle enzyme succinate dehydrogenase is knocked out, leading to the production of samples with high levels of 13 C enrichment (30-40%) at C β side-chain carbon positions for 15 of the amino acids with little 13 C label at positions one bond removed (∼5%). A pair of samples are produced using [1- 13 C]-glucose/NaH 12 CO 3 or [2- 13 C]-glucose as carbon sources with isolated and enriched (>30%) 13 C β positions for 11 and 4 residues, respectively. The efficacy of the labeling procedure is established by NMR spectroscopy. The utility of such samples for measurement of 13 C β chemical shifts of invisible, excited states in exchange with visible, ground conformations is confirmed by relaxation dispersion studies of a protein-ligand binding exchange reaction in which the extracted chemical shift differences from dispersion profiles compare favorably with those obtained directly from measurements on ligand free and fully bound protein samples

  16. New approximation to the bound states of Schroedinger operators with coulomb interaction

    International Nuclear Information System (INIS)

    Nunez, M.A.; Izquierdo B., G.

    1994-01-01

    In this work, the authors present a mathematical formulation of the physical fact that the bound states of a quantum system confined into a box Ω (with impenetrable walls) are similar to those of the unconfined system, if the box Ω is sufficiently large, and it is shown how the bound states of atomic and molecular Hamiltonians can be approximated by those of the system confined for a box Ω large enough (Dirichlet eigenproblem in Ω). Thus, a method for computing bound states is obtained which has the advantage of reducing the problem to the case of compact operators. This implies that a broad class of numerical and analytic techniques used for solving the Dirichlet problem, may be applied in full strength to obtain accurate computations of energy levels, wave functions, and other physical properties of interest

  17. Selective excitation of atoms or molecules to high-lying states

    International Nuclear Information System (INIS)

    Ducas, T.W.

    1978-01-01

    This specification relates to the selective excitation of atoms or molecules to high lying states and a method of separating different isotopes of the same element by selective excitation of the isotopes. (U.K.)

  18. Dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations

    International Nuclear Information System (INIS)

    Do, Duy Minh; Gao, Wei; Song, Chongmin; Tangaramvong, Sawekchai

    2014-01-01

    This paper presents the non-deterministic dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations. Random ground acceleration from earthquake motion is adopted to illustrate the stochastic process force. The exact change ranges of natural frequencies, random vibration displacement and stress responses of structures are investigated under the interval analysis framework. Formulations for structural reliability are developed considering the safe boundary and structural random vibration responses as interval parameters. An improved particle swarm optimization algorithm, namely randomised lower sequence initialized high-order nonlinear particle swarm optimization algorithm, is employed to capture the better bounds of structural dynamic characteristics, random vibration responses and reliability. Three numerical examples are used to demonstrate the presented method for interval random vibration analysis and reliability assessment of structures. The accuracy of the results obtained by the presented method is verified by the randomised Quasi-Monte Carlo simulation method (QMCSM) and direct Monte Carlo simulation method (MCSM). - Highlights: • Interval uncertainty is introduced into structural random vibration responses. • Interval dynamic reliability assessments of structures are implemented. • Boundaries of structural dynamic response and reliability are achieved

  19. Does the excited state of the 3He nucleus exist?

    International Nuclear Information System (INIS)

    Barabanov, A.L.

    1994-01-01

    The suggestion is made that the excited state of the 3 He nucleus found out recently in the reaction has spin and parity 1/2 + and the same configuration that the ground open of 6 He. It is shown that in an elastic nd-scattering a resonance associated with the excited state may be absent due to destructive interference of potential and resonant scattering phases

  20. Stieltjes electrostatic model interpretation for bound state problems

    Indian Academy of Sciences (India)

    In this paper, it is shown that Stieltjes electrostatic model and quantum Hamilton Jacobi formalism are analogous to each other. This analogy allows the bound state problem to mimic as unit moving imaginary charges i ℏ , which are placed in between the two fixed imaginary charges arising due to the classical turning ...

  1. 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.

  2. Supersymmetric quantum mechanics and higher excited states of a non-polynomial potential

    International Nuclear Information System (INIS)

    Drigo Filho, E.; Ricotta, R.M.

    1989-03-01

    Supersymmetric quantum mechanics is used to evaluate new excited states of a non-polynomial potential. This illustrates a method of evaluating higher excited states of quantum mechanical potentials. (A.C.A.S.) [pt

  3. Nonthreshold D-brane bound states and black holes with nonzero entropy

    International Nuclear Information System (INIS)

    Costa, M.S.; Cvetic, M.

    1997-01-01

    We start with Bogomol close-quote nyi-Prasad-Sommerfield- (BPS) saturated configurations of two (orthogonally) intersecting M-branes and use the electromagnetic duality or dimensional reduction along a boost, in order to obtain new p-brane bound states. In the first case the resulting configurations are interpreted as BPS-saturated nonthreshold bound states of intersecting p-branes, and in the second case as p-branes intersecting at angles and their duals. As a by-product we deduce the enhancement of supersymmetry as the angle approaches zero. We also comment on the D-brane theory describing these new bound states, and a connection between the angle and the world-volume gauge fields of the D-brane system. We use these configurations to find new embeddings of the four- and five-dimensional black holes with nonzero entropy, whose entropy now also depends on the angle and world-volume gauge fields. The corresponding D-brane configuration sheds light on the microscopic entropy of such black holes. copyright 1997 The American Physical Society

  4. Competition between excited core states and 1homega single-particle excitations at comparable energies in {sup 207}Pb from photon scattering

    Energy Technology Data Exchange (ETDEWEB)

    Pietralla, N., E-mail: pietralla@ikp.tu-darmstadt.d [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany); Li, T.C. [Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Fritzsche, M. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Ahmed, M.W. [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Ahn, T.; Costin, A. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Nuclear Structure Laboratory, SUNY at Stony Brook, Stony Brook, NY 11794-3800 (United States); Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany); Enders, J. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Li, J. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Mueller, S.; Neumann-Cosel, P. von [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Pinayev, I.V. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Ponomarev, V.Yu.; Savran, D. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Tonchev, A.P.; Tornow, W.; Weller, H.R. [Triangle Universities Nuclear Laboratory (TUNL), Duke University, Durham, NC 27708 (United States); Werner, V. [A.W. Wright Nuclear Structure Laboratory (WNSL), Yale University, New Haven, CT (United States); Wu, Y.K. [Duke Free Electron Laser Laboratory (DFELL), Duke University, Durham, NC 27708 (United States); Zilges, A. [Institut fuer Kernphysik, Universitaet zu Koeln, 50937 Koeln (Germany)

    2009-10-26

    The Pb(gamma{sup -}>,gamma{sup '}) photon scattering reaction has been studied with the nearly monochromatic, linearly polarized photon beams at the High Intensity gamma-ray Source (HIgammaS) at the DFELL. Azimuthal scattering intensity asymmetries measured with respect to the polarization plane of the beam have been used for the first time to assign both the spin and parity quantum numbers of dipole excited states of {sup 206,207,208}Pb at excitation energies in the vicinity of 5.5 MeV. Evidence for dominant particle-core coupling is deduced from these results along with information on excitation energies and electromagnetic transition matrix elements. Implications of the existence of weakly coupled states built on highly excited core states in competition with 1homega single particle (hole) excitations at comparable energies are discussed.

  5. The properties of 4'-N,N-dimethylaminoflavonol in the ground and excited states

    Science.gov (United States)

    Moroz, V. V.; Chalyi, A. G.; Roshal, A. D.

    2008-09-01

    The mechanism of protonation of 4-N,N-dimethylaminoflavonol and the structure of its protolytic forms in the ground and excited states were studied by electron absorption and fluorescence (steady-state and time-resolved) spectroscopy and with the use of the RM1 quantum-chemical method. A comparison of equilibrium constants and the theoretical enthalpies of formation showed that excitation should be accompanied by the inversion of the basicity of the electron acceptor groups of this compound and, as a consequence, changes in the structure of its monocationic form. An analysis of the spectral parameters of the protolytic 4-N,N-dimethylaminoflavonol forms, however, showed that their structure and the sequence of protonation in the excited state were the same as in the ground state. Changes in the structure of the monocation in the excited state were not observed because of the fast radiationless deactivation of this form and the occurrence of excited state intramolecular proton transfer in aprotic solvents.

  6. Covalently bound molecular states in beryllium and carbon isotopes

    International Nuclear Information System (INIS)

    Wolfram von, Oertzen; Hans-Gerhard, Bohlen; Wolfram von, Oertzen

    2003-01-01

    Nuclear clustering in N=Z nuclei has been studied since many decades. States close to the decay thresholds, as described by the Ikeda diagram, are of particular interest. Recent studies in loosely bound systems, as observed with neutron-rich nuclei has revived the interest in cluster structures in nuclei, with additional valence neutrons, which give rise to pronounced covalent molecular structures. The Beryllium isotopes represent the first example of such unique states in nuclear physics with extreme deformations. In the deformed shell model these are referred to as super- and hyper-deformation. These states can be described explicitly by molecular concepts, with neutrons in covalent binding orbits. Examples of recent experiments performed at the HMI-Berlin demonstrating the molecular structure of the rotational bands in Beryllium isotopes are presented. Further work on chain states (nuclear polymers) in the carbon isotopes is in progress, these are the first examples of deformed structures in nuclei with an axis ratio of 3:1. A threshold diagram with clusters bound via neutrons in covalent molecular configurations can be established, which can serve as a guideline for future work. (authors)

  7. Optimal control of peridinin excited-state dynamics

    Czech Academy of Sciences Publication Activity Database

    Dietzek, B.; Chábera, P.; Hanf, R.; Tschierlei, S.; Popp, J.; Pascher, T.; Yartsev, A.; Polívka, Tomáš

    2010-01-01

    Roč. 373, 1-2 (2010), s. 129-136 ISSN 0301-0104 Institutional research plan: CEZ:AV0Z50510513 Keywords : peridin * excited-state dynamics * coherent control Subject RIV: BO - Biophysics Impact factor: 2.017, year: 2010

  8. Localized excitations in superconducting point contacts: probing the Andreev doublet

    International Nuclear Information System (INIS)

    Bretheau, L.

    2013-01-01

    The Josephson effect describes the coherent coupling between superconductors and the resulting supercurrent. Microscopically, it arises from the existence of discrete quasiparticle states, localized at the weak link, the Andreev bound states. They come in doublets in each conduction channel of the weak link, with energies symmetric about the Fermi energy and opposite supercurrents. Each Andreev doublet gives rise to four states: the ground state |-> and the excited state |+>, with even parity, and the excited odd states |↑> and |↓>. Is it possible to address and control Andreev doublets? This thesis describes two sets of experiments designed to answer this question using the most basic Josephson element, a one-atom contact between two superconducting electrodes. In a first experiment, we have observed and characterized the excited odd states |↑> and |↓>. As expected for a spin-degenerate system, they do not carry supercurrent. In this experiment the excitation was uncontrolled and resulted from trapping of spurious quasiparticles. We have measured the lifetime of the odd states: under some condition, it is found to exceed 100 μs. The second experiment is a photon-absorption spectroscopy of the Andreev doublet. It was performed by using a Josephson junction as an integrated on-chip microwave emitter and detector. The observed Andreev transitions correspond to excitation from the ground state |->to the excited even state |+>, and are well accounted for by our quantum model. This result opens the way to coherent manipulation of this two level system. The direct observation of the excited Andreev state, either by quasiparticle-injection or photon-absorption, strongly supports the mesoscopic theory of the Josephson effect. It shows that in addition to the phase difference, each channel of a Josephson weak link possesses an internal fermionic degree of freedom. It could be used to code information in a novel type of superconducting qubit. (author) [fr

  9. Σ hypernuclear bound state observed in stopped K- reaction on 4He

    International Nuclear Information System (INIS)

    Hayano, R.S.; Ishikawa, T.; Iwasaki, M.; Outa, H.; Takada, E.; Tamura, H.; Sakaguchi, A.; Aoki, M.; Yamazaki, T.

    1988-12-01

    Results are presented of inclusive measurements of π ± momentum spectra from K - absorption at rest in liquid helium. We found a peak in the π - spectrum. The (K - , π + ) spectrum does not exhibit a clear peak in the Σ - bound region. Comparison of these two spectra suggests that the peak in the π - spectrum is due to the formation of the S = 0, I = 1/2 ground state of Σ-nucleus bound state. (J.P.N.)

  10. Anisotropy of electronic states excited in ion-atom collisions

    International Nuclear Information System (INIS)

    Boskamp, E.B.

    1983-01-01

    The author reports coincidence measurements made on the He + + Ne and He + + He systems. The complex population amplitudes for the magnetic sublevels of the investigated excited states, Ne(2p 4 3s 2 ) 1 D and He(2p 2 ) 1 D, were completely determined and possible excitation mechanisms are described. (Auth.)

  11. The hyperbolic step potential: Anti-bound states, SUSY partners and Wigner time delays

    Energy Technology Data Exchange (ETDEWEB)

    Gadella, M. [Departamento de Física Teórica, Atómica y Óptica and IMUVA, Universidad de Valladolid, E-47011 Valladolid (Spain); Kuru, Ş. [Department of Physics, Faculty of Science, Ankara University, 06100 Ankara (Turkey); Negro, J., E-mail: jnegro@fta.uva.es [Departamento de Física Teórica, Atómica y Óptica and IMUVA, Universidad de Valladolid, E-47011 Valladolid (Spain)

    2017-04-15

    We study the scattering produced by a one dimensional hyperbolic step potential, which is exactly solvable and shows an unusual interest because of its asymmetric character. The analytic continuation of the scattering matrix in the momentum representation has a branch cut and an infinite number of simple poles on the negative imaginary axis which are related with the so called anti-bound states. This model does not show resonances. Using the wave functions of the anti-bound states, we obtain supersymmetric (SUSY) partners which are the series of Rosen–Morse II potentials. We have computed the Wigner reflection and transmission time delays for the hyperbolic step and such SUSY partners. Our results show that the more bound states a partner Hamiltonian has the smaller is the time delay. We also have evaluated time delays for the hyperbolic step potential in the classical case and have obtained striking similitudes with the quantum case. - Highlights: • The scattering matrix of hyperbolic step potential is studied. • The scattering matrix has a branch cut and an infinite number of poles. • The poles are associated to anti-bound states. • Susy partners using antibound states are computed. • Wigner time delays for the hyperbolic step and partner potentials are compared.

  12. Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

    Science.gov (United States)

    Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

    2018-03-06

    Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

  13. Production of autoionizing di-excited states of barium with high angular momentum

    International Nuclear Information System (INIS)

    Roussel, F.; Breger, P.; Gounand, F.; Spiess, G.

    1988-01-01

    Autoionizing di-excited states Ba(6p 1/2 27l) with 7 ≤l≤26, have been experimentally detected. They have been produced by a method combining excitation by two lasers and l-mixing collisions between barium and xenon. Results show that a long delay between the two laser excitation steps is favourable to the production of these states. The method has proved to be very efficient (measured cross-section: σ = 3.1 . 10 -13 cm 2 ) for populating high-angular-momentum autoionizing states of barium

  14. 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 NH 3 synthesis from N 2 and H 2 is notoriously energy intensive. This is due to the difficulty of N 2 dissociation despite the overall reaction being thermodynamically favorable at ambient temperatures and pressures. LSPRs may provide means to improve the kinetics of N 2 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 N 2 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 N 2 dissociation. We find the ground-state dissociation activation energy to be 4.74 eV/N 2 , 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.

  15. Excited State Structural Dynamics of Carotenoids and Charge Transfer Systems

    International Nuclear Information System (INIS)

    Van Tassle, Aaron Justin

    2006-01-01

    This dissertation describes the development and implementation of a visible/near infrared pump/mid-infrared probe apparatus. Chapter 1 describes the background and motivation of investigating optically induced structural dynamics, paying specific attention to solvation and the excitation selection rules of highly symmetric molecules such as carotenoids. Chapter 2 describes the development and construction of the experimental apparatus used throughout the remainder of this dissertation. Chapter 3 will discuss the investigation of DCM, a laser dye with a fluorescence signal resulting from a charge transfer state. By studying the dynamics of DCM and of its methyl deuterated isotopomer (an otherwise identical molecule), we are able to investigate the origins of the charge transfer state and provide evidence that it is of the controversial twisted intramolecular (TICT) type. Chapter 4 introduces the use of two-photon excitation to the S1 state, combined with one-photon excitation to the S2 state of the carotenoid beta-apo-8'-carotenal. These 2 investigations show evidence for the formation of solitons, previously unobserved in molecular systems and found only in conducting polymers Chapter 5 presents an investigation of the excited state dynamics of peridinin, the carotenoid responsible for the light harvesting of dinoflagellates. This investigation allows for a more detailed understanding of the importance of structural dynamics of carotenoids in light harvesting

  16. Giant dipole resonances built on excited states

    International Nuclear Information System (INIS)

    Snover, K.A.

    1983-01-01

    The properties of giant dipole resonances built on excited nuclear states are reviewed, with emphasis on recent results. Nonstatistical (p,γ) reactions in light nuclei, and statistical complex-particle reactions in light and heavy nuclei are discussed. 27 references

  17. New approach to calculate bound state eigenvalues

    International Nuclear Information System (INIS)

    Gerck, E.; Gallas, J.A.C.

    1983-01-01

    A method of solving the radial Schrodinger equation for bound states is discussed. The method is based on a new piecewise representation of the second derivative operator on a set of functions that obey the boundary conditions. This representation is trivially diagonalised and leads to closed form expressions of the type E sub(n)=E(ab+b+c/n+...) for the eigenvalues. Examples are given for the power-law and logarithmic potentials. (Author) [pt

  18. Pair condensation and bound states in fermionic systems

    International Nuclear Information System (INIS)

    Sedrakian, Armen; Clark, John W.

    2006-01-01

    We study the finite temperature-density phase diagram of an attractive fermionic system that supports two-body (dimer) and three-body (trimer) bound states in free space. Using interactions characteristic for nuclear systems, we obtain the critical temperature T c2 for the superfluid phase transition and the limiting temperature T c3 for the extinction of trimers. The phase diagram features a Cooper-pair condensate in the high-density, low-temperature domain which, with decreasing density, crosses over to a Bose condensate of strongly bound dimers. The high-temperature, low-density domain is populated by trimers whose binding energy decreases toward the density-temperature domain occupied by the superfluid and vanishes at a critical temperature T c3 >T c2

  19. Deciphering excited state evolution in halorhodopsin with stimulated emission pumping.

    Science.gov (United States)

    Bismuth, Oshrat; Komm, Pavel; Friedman, Noga; Eliash, Tamar; Sheves, Mordechai; Ruhman, Sanford

    2010-03-04

    The primary photochemical dynamics of Hb. pharaonis Halorhodopsin (pHR) are investigated by femtosecond visible pump-near IR dump-hyperspectral probe spectroscopy. The efficiency of excited state depletion is deduced from transient changes in absorption, recorded with and without stimulated emission pumping (SEP), as a function of the dump delay. The concomitant reduction of photocycle population is assessed by probing the "K" intermediate difference spectrum. Results show that the cross section for stimulating emission is nearly constant throughout the fluorescent state lifetime. Probing "K" demonstrates that dumping produces a proportionate reduction in photocycle yields. We conclude that, despite its nonexponential internal conversion (IC) kinetics, the fluorescent state in pHR constitutes a single intermediate in the photocycle. This contrasts with conclusions drawn from the study of primary events in the related chloride pump from Hb. salinarum (sHR), believed to produce the "K" intermediate from a distinct short-lived subpopulation in the excited state. Our discoveries concerning internal conversion dynamics in pHR are discussed in light of recent expectations for similar excited state dynamics in both proteins.

  20. 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...

  1. Rate Reduction for State-labelled Markov Chains with Upper Time-bounded CSL Requirements

    Directory of Open Access Journals (Sweden)

    Bharath Siva Kumar Tati

    2016-07-01

    Full Text Available This paper presents algorithms for identifying and reducing a dedicated set of controllable transition rates of a state-labelled continuous-time Markov chain model. The purpose of the reduction is to make states to satisfy a given requirement, specified as a CSL upper time-bounded Until formula. We distinguish two different cases, depending on the type of probability bound. A natural partitioning of the state space allows us to develop possible solutions, leading to simple algorithms for both cases.

  2. Numerical simulations of oscillating soliton stars: Excited states in spherical symmetry and ground state evolutions in 3D

    International Nuclear Information System (INIS)

    Balakrishna, Jayashree; Bondarescu, Ruxandra; Daues, Gregory; Bondarescu, Mihai

    2008-01-01

    Excited state soliton stars are studied numerically for the first time. The stability of spherically symmetric S-branch excited state oscillatons under radial perturbations is investigated using a 1D code. We find that these stars are inherently unstable either migrating to the ground state or collapsing to black holes. Higher excited state configurations are observed to cascade through intermediate excited states during their migration to the ground state. This is similar to excited state boson stars [J. Balakrishna, E. Seidel, and W.-M. Suen, Phys. Rev. D 58, 104004 (1998).]. Ground state oscillatons are then studied in full 3D numerical relativity. Finding the appropriate gauge condition for the dynamic oscillatons is much more challenging than in the case of boson stars. Different slicing conditions are explored, and a customized gauge condition that approximates polar slicing in spherical symmetry is implemented. Comparisons with 1D results and convergence tests are performed. The behavior of these stars under small axisymmetric perturbations is studied and gravitational waveforms are extracted. We find that the gravitational waves damp out on a short time scale, enabling us to obtain the complete waveform. This work is a starting point for the evolution of real scalar field systems with arbitrary symmetries

  3. 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.

  4. A study of the bound states for square potential wells with position-dependent mass

    International Nuclear Information System (INIS)

    Ganguly, A.; Kuru, S.; Negro, J.; Nieto, L.M.

    2006-01-01

    A potential well with position-dependent mass is studied for bound states. Applying appropriate matching conditions, a transcendental equation is derived for the energy eigenvalues. Numerical results are presented graphically and the variation of the energy of the bound states are calculated as a function of the well-width and mass

  5. Statistical density of nuclear excited states

    Directory of Open Access Journals (Sweden)

    V. M. Kolomietz

    2015-10-01

    Full Text Available A semi-classical approximation is applied to the calculations of single-particle and statistical level densities in excited nuclei. Landau's conception of quasi-particles with the nucleon effective mass m* < m is used. The approach provides the correct description of the continuum contribution to the level density for realistic finite-depth potentials. It is shown that the continuum states does not affect significantly the thermodynamic calculations for sufficiently small temperatures T ≤ 1 MeV but reduce strongly the results for the excitation energy at high temperatures. By use of standard Woods - Saxon potential and nucleon effective mass m* = 0.7m the A-dependency of the statistical level density parameter K was evaluated in a good qualitative agreement with experimental data.

  6. 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.

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

    KAUST Repository

    Filatov, Mikhail A.; Etzold, Fabian; Gehrig, Dominik; Laquai, Fré dé ric; Busko, Dmitri; Landfester, Katharina; Baluschev, Stanislav

    2015-01-01

    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.

  8. Magnetic moment of a two-particle bound state in quantum electrodynamics

    International Nuclear Information System (INIS)

    Martynenko, A.P.; Faustov, R.N.

    2002-01-01

    A quasipotential method for calculating relativistic and radiative corrections to the magnetic moment of a two-particle bound state is formulated for particles of arbitrary spin. It is shown that the expression for the g factors of bound particles involve O(α 2 ) terms depending on the particle spin. Numerical values are obtained for the g factors of the electron in the hydrogen atom and in deuterium

  9. Reparameterization invariance of NRQED self-energy corrections and improved theory for excited D states in hydrogenlike systems

    International Nuclear Information System (INIS)

    Wundt, Benedikt J.; Jentschura, Ulrich D.

    2008-01-01

    Canonically, the quantum electrodynamic radiative corrections in bound systems have been evaluated in photon energy regularization, i.e., using a noncovariant overlapping parameter that separates the high-energy relativistic scales of the virtual quanta from the nonrelativistic domain. Here, we calculate the higher-order corrections to the one-photon self-energy calculation with three different overlapping parameters (photon energy, photon mass and dimensional regularization) and demonstrate the reparameterization invariance of nonrelativistic quantum electrodynamics (NRQED) using this particular example. We also present new techniques for the calculation of the low-energy part of this correction, which lead to results for the Lamb shift of highly excited states that are important for high-precision spectroscopy

  10. Reparameterization invariance of NRQED self-energy corrections and improved theory for excited D states in hydrogenlike systems

    Energy Technology Data Exchange (ETDEWEB)

    Wundt, Benedikt J. [Max-Planck-Institut fuer Kernphysik, Postfach 103980, 69029 Heidelberg (Germany); Jentschura, Ulrich D. [Max-Planck-Institut fuer Kernphysik, Postfach 103980, 69029 Heidelberg (Germany); Institut fuer Theoretische Physik, Philosophenweg 16, 69120 Heidelberg (Germany)], E-mail: ulrich.jentschura@mpi-hd.mpg.de

    2008-01-24

    Canonically, the quantum electrodynamic radiative corrections in bound systems have been evaluated in photon energy regularization, i.e., using a noncovariant overlapping parameter that separates the high-energy relativistic scales of the virtual quanta from the nonrelativistic domain. Here, we calculate the higher-order corrections to the one-photon self-energy calculation with three different overlapping parameters (photon energy, photon mass and dimensional regularization) and demonstrate the reparameterization invariance of nonrelativistic quantum electrodynamics (NRQED) using this particular example. We also present new techniques for the calculation of the low-energy part of this correction, which lead to results for the Lamb shift of highly excited states that are important for high-precision spectroscopy.

  11. Excited-state formation as H+ and He+ ions scatter from metal surfaces

    International Nuclear Information System (INIS)

    Baird, W.E.; Zivitz, M.; Thomas, E.W.

    1975-01-01

    Impact of 10-to30KeV H + or He + ions on polycrystalline metal surfaces causes some projectiles to be backscattered in a neutral excited state. These projectiles subsequently radiatively decay, emitting Doppler-broadened spectral lines. By analysis of the spectral shape of these lines, we are able to determine the probability of radiationless deexcitation of the excited backscattered atoms. Quantitative measurements of spectral intensity indicate that less than 1% of all projectiles are backscattered in an excited state. The relative variation of total spectral line intensity with angle of projectile incidence and with projectile primary energy has been successfully predicted using a model which assumes that the probability for excited-state formation is independent of the scattered projectile's energy and direction. The variation in total spectral line intensity with target atomic number is predicted, and the sputtering and excitation of Al under He + impact is briefly examined

  12. Di-lepton yield from the decay of excited 28Si states

    International Nuclear Information System (INIS)

    Bacelar, J.C.; Buda, A.; Balanda, A.; Krasznahorkay, A.; Ploeg, H. van der; Sujkowski, Z.; Woude, A. van der

    1994-01-01

    The first dilepton yield measurements from excited nuclear states obtained with a new Positron-Electron Pair Spectroscopic Instrument (PEPSI) are reported. Nuclear states in 28 Si, with an initial excitation energy E * =50 MeV, were populated via the isospin T=0 reaction 4 He+ 24 Mg and the mixed-isospin 3 He+ 25 Mg reaction. In both reactions the dilepton (e + e - ) and photon decay yields were measured concurrently. An excess of counts in the e + e - spectrum, over the converted photon yield, is observed in the energy region above 15 MeV. An analyses is discussed whereby the observed excess counts are assumed to represent the isoscalar E0 strength in excited nuclear states. (orig.)

  13. Bounds on the entanglement entropy of droplet states in the XXZ spin chain

    Science.gov (United States)

    Beaud, V.; Warzel, S.

    2018-01-01

    We consider a class of one-dimensional quantum spin systems on the finite lattice Λ ⊂Z , related to the XXZ spin chain in its Ising phase. It includes in particular the so-called droplet Hamiltonian. The entanglement entropy of energetically low-lying states over a bipartition Λ = B ∪ Bc is investigated and proven to satisfy a logarithmic bound in terms of min{n, |B|, |Bc|}, where n denotes the maximal number of down spins in the considered state. Upon addition of any (positive) random potential, the bound becomes uniformly constant on average, thereby establishing an area law. The proof is based on spectral methods: a deterministic bound on the local (many-body integrated) density of states is derived from an energetically motivated Combes-Thomas estimate.

  14. 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.

  15. Sensitivity of (α,α') cross sections to excited-state quadrupole moments

    International Nuclear Information System (INIS)

    Baker, F.T.; Scott, A.; Ronningen, R.M.; Hamilton, J.H.; Kruse, T.H.; Suchannek, R.; Savin, W.

    1977-01-01

    Inelastic α particle scattering at 21 and 24 MeV has been used to estimate the electric quadrupole moment of the second 2 + state in 180 Hf. Sensitivity to the assumed quadrupole moment is due almost entirely to reorientation via the nuclear force. Results suggest that the technique may be a useful method of estimating excited state quadrupole moments, particularly for states with high excitation energies or with J greater than 2

  16. Bound states of Θ+ in nuclei

    International Nuclear Information System (INIS)

    Oset, E.; Cabrera, D.; Li, Q.B.; Magas, V.K.; Vicente Vacas, M.J.

    2005-01-01

    We study the binding energy and the width of the Θ + in nuclei, associated to the KN and KπN components. The first one leads to negligible contributions while the second one leads to a sizeable attraction, enough to bind the Θ + in nuclei. Pauli blocking and binding effects on the KN decay reduce considerably the Θ + decay width in nuclei and medium effects associated to the KπN component also lead to a very small width, as a consequence of which one finds separation between the bound levels considerably larger than the width of the states

  17. Relativistic treatment of fermion-antifermion bound states

    International Nuclear Information System (INIS)

    Lucha, W.; Rupprecht, H.; Schoeberl, F.F.

    1990-01-01

    We discuss the relativistic treatment of fermion-antifermion bound states by an effective-Hamiltonian method which imitates their description in terms of nonrelativistic potential models: the effective interaction potential, to be used in a Schroedinger equation which incorporates relativistic kinematics, is derived from the underlying quantum field theory. This approach is equivalent to the instantaneous approximation to the Bethe-Salpeter equation called Salpeter equation but comes closer to physical intuition than the latter one. (Author) 14 refs

  18. Electronic properties of excited states in single InAs quantum dots

    International Nuclear Information System (INIS)

    Warming, Till

    2009-01-01

    The application of quantum-mechanical effects in semiconductor nanostructures enables the realization of novel opto-electronic devices. Examples are given by single-photon emitters and emitters of entangled photon pairs, both being essential for quantum cryptography, or for qubit systems as needed for quantum computing. InAs/GaAs quantum dots are one of the most promising candidates for such applications. A detailed knowledge of the electronic properties of quantum dots is a prerequisite for this development. The aim of this work is an experimental access to the detailed electronic structure of the excited states in single InAs/GaAs quantum dots including few-particle effects and in particular exchange interaction. The experimental approach is micro photoluminescence excitation spectroscopy (μPLE). One of the main difficulties using μPLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence (μPL) and μPLE spectra, the identification of the main resonances becomes possible. The key is given by the fine structure of the hot trion. Excitation spectroscopy on single charged QDs enables for the first time the complete observation of a non-trivial fine structure of an excitonic complex in a QD, the hot trion. Modelling based on eight-band k.p theory in combination with a configuration interaction scheme is in excellent agreement. Therewith the simulation also enables realistic predictions on the fine structure of the ground-state exciton which is of large importance for single quantum dot devices. Theory concludes from the observed transitions that the structural symmetry of the QDs is broken. Micro photoluminescence excitation spectroscopy combined with resonantly excited micro photoluminescence enables an optical access to the single particle states of the hole without the influence of few-particle coulomb interactions. Based on this knowledge the exciton binding

  19. Particle hole excitations coupled to complex states in heavy-ion collisions

    International Nuclear Information System (INIS)

    Jolos, R.V.; Schmidt, R.

    1982-01-01

    The excitation of uncorrelated 1p-1h states in one nucleus due to the action of the time-dependent mean field of the other nucleus was studied earlier. No statistical assumptions or average procedures were made. Such a mechanism can be responsible for an appreciable excitation of the two nuclei during the short approach phase of the reaction (E* approximately> 100 MeV). The reversibility of the equations of motion leads to a deexcitation of the initially stored excitation energy into that of the relative motion for later times. This feedback behaviour of the internal excitation energy which results in particular to the deexcitation of high energetic 1p-1h pairs is probably not realistic due to the coupling of this states to more complex states with high density. It is studied the influence of this coupling due to the residual interaction between the nucleons on the dynamics of two colliding heavy ions

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

    International Nuclear Information System (INIS)

    Blom, Alex Jason

    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(prime)-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

  1. 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.

  2. Energies and lifetimes of excited states in copperlike Kr VIII

    International Nuclear Information System (INIS)

    Livingston, A.E.; Curtis, L.J.; Schectman, R.M.; Berry, H.G.

    1980-01-01

    The spectrum of Kr VIII has been observed between 180 and 2000 A by using foil excitation of 2.5--3.5-MeV krypton ions. Twenty new transitions have been classified and eleven new excited-state energies have been determined within the n=4 --7 shells. The ionization potential is derived to be 1 015 800 +- 200 cm -1 . The excited-state energies and fine structures are compared with recent relativistic Hartree-Fock calculations. The 4p-state lifetime has been measured by performing a simultaneous analysis of decay data for the 4p level and for its dominant cascade-repopulating levels. The 4p lifetime is found to be 30% shorter than previously measured values and is in excellent agreement with the result of a recent multiconfiguration Hartree-Fock calculation. The source of the discrepancy between this result and earlier measurements is discussed

  3. The effect of excitation and preparation pulses on nonslice selective 2D UTE bicomponent analysis of bound and free water in cortical bone at 3T

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shihong [Department of Radiology, University of California, San Diego, California 92103-8226 (United States); Department of Radiology, Hua Dong Hospital, Fudan University, Shanghai 200040 (China); Yancheng Medical College, Jiangsu (China); The First People' s Hospital of Yancheng City, Jiangsu 224005 (China); Chang, Eric Y.; Chung, Christine B. [VA San Diego Healthcare System, San Diego, California 92161 and Department of Radiology, University of California, San Diego, California 92103-8226 (United States); Bae, Won C.; Du, Jiang, E-mail: jiangdu@ucsd.edu [Department of Radiology, University of California, San Diego, California 92103-8226 (United States); Hua, Yanqing [Department of Radiology, Hua Dong Hospital, Fudan University, Shanghai 200040 (China); Zhou, Yi [The First People' s Hospital of Yancheng City, Jiangsu 224005 (China)

    2014-02-15

    Purpose: The purpose of this study was to investigate the effect of excitation, fat saturation, long T2 saturation, and adiabatic inversion pulses on ultrashort echo time (UTE) imaging with bicomponent analysis of bound and free water in cortical bone for potential applications in osteoporosis. Methods: Six bovine cortical bones and six human tibial midshaft samples were harvested for this study. Each bone sample was imaged with eight sequences using 2D UTE imaging at 3T with half and hard excitation pulses, without and with fat saturation, long T2 saturation, and adiabatic inversion recovery (IR) preparation pulses. Single- and bicomponent signal models were utilized to calculate the T2{sup *}s and/or relative fractions of short and long T2{sup *}s. Results: For all bone samples UTE T2{sup *} signal decay showed bicomponent behavior. A higher short T2{sup *} fraction was observed on UTE images with hard pulse excitation compared with half pulse excitation (75.6% vs 68.8% in bovine bone, 79.9% vs 73.2% in human bone). Fat saturation pulses slightly reduced the short T2{sup *} fraction relative to regular UTE sequences (5.0% and 2.0% reduction, respectively, with half and hard excitation pulses for bovine bone, 6.3% and 8.2% reduction, respectively, with half and hard excitation pulses for human bone). Long T2 saturation pulses significantly reduced the long T2{sup *} fraction relative to regular UTE sequence (18.9% and 17.2% reduction, respectively, with half and hard excitation pulses for bovine bone, 26.4% and 27.7% reduction, respectively, with half and hard excitation pulses for human bone). With IR-UTE preparation the long T2{sup *} components were significantly reduced relative to regular UTE sequence (75.3% and 66.4% reduction, respectively, with half and hard excitation pulses for bovine bone, 87.7% and 90.3% reduction, respectively, with half and hard excitation pulses for human bone). Conclusions: Bound and free water T2{sup *}s and relative fractions can

  4. The effect of excitation and preparation pulses on nonslice selective 2D UTE bicomponent analysis of bound and free water in cortical bone at 3T

    International Nuclear Information System (INIS)

    Li, Shihong; Chang, Eric Y.; Chung, Christine B.; Bae, Won C.; Du, Jiang; Hua, Yanqing; Zhou, Yi

    2014-01-01

    Purpose: The purpose of this study was to investigate the effect of excitation, fat saturation, long T2 saturation, and adiabatic inversion pulses on ultrashort echo time (UTE) imaging with bicomponent analysis of bound and free water in cortical bone for potential applications in osteoporosis. Methods: Six bovine cortical bones and six human tibial midshaft samples were harvested for this study. Each bone sample was imaged with eight sequences using 2D UTE imaging at 3T with half and hard excitation pulses, without and with fat saturation, long T2 saturation, and adiabatic inversion recovery (IR) preparation pulses. Single- and bicomponent signal models were utilized to calculate the T2 * s and/or relative fractions of short and long T2 * s. Results: For all bone samples UTE T2 * signal decay showed bicomponent behavior. A higher short T2 * fraction was observed on UTE images with hard pulse excitation compared with half pulse excitation (75.6% vs 68.8% in bovine bone, 79.9% vs 73.2% in human bone). Fat saturation pulses slightly reduced the short T2 * fraction relative to regular UTE sequences (5.0% and 2.0% reduction, respectively, with half and hard excitation pulses for bovine bone, 6.3% and 8.2% reduction, respectively, with half and hard excitation pulses for human bone). Long T2 saturation pulses significantly reduced the long T2 * fraction relative to regular UTE sequence (18.9% and 17.2% reduction, respectively, with half and hard excitation pulses for bovine bone, 26.4% and 27.7% reduction, respectively, with half and hard excitation pulses for human bone). With IR-UTE preparation the long T2 * components were significantly reduced relative to regular UTE sequence (75.3% and 66.4% reduction, respectively, with half and hard excitation pulses for bovine bone, 87.7% and 90.3% reduction, respectively, with half and hard excitation pulses for human bone). Conclusions: Bound and free water T2 * s and relative fractions can be assessed using UTE bicomponent

  5. Cross sections for the vibrational excitation of the H2 X 1Σ+g(v) levels generated by electron collisional excitation of the higher singlet states

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1991-01-01

    The excitation cross sections, σ(v,v double-prime), for an H 2 molecule initially in any one of the 15 vibrational levels, v belonging to the ground electronic state and excited to a final vibrational level, v double-prime are evaluated for direct excitations via all members of the excited electronic singlet spectrum. Account is taken of predissociation, autoionization, and radiative decay of the excited electronic spectrum that leads to a final population distribution for the ground electronic state, X 1 Σ + g (v double-prime). For v=0, account is taken explicitly of transitions via the B, C, B', and D electronic states in evaluating the cross sections. The additional contribution of excitations via all Rydberg states lying above the D state enhances these cross sections by approximately 10%. For v>0, cross sections are evaluated taking explicit account of transitions through the B and C states; higher singlet excitations enhance these values by 25%. The choice of the reference total cross sections remains a subjective one, causing the values calculated here to have a possible uncertainty of +20% -30% . For excitations occurring within a hydrogen discharge, collisional excitation-ionization events among the intermediate singlet states will effectively quench the v, v double-prime excitation process for discharge densities in excess of the range 10 15 --10 16 electrons/cm -3

  6. Watson-Crick base pairing controls excited-state decay in natural DNA.

    Science.gov (United States)

    Bucher, Dominik B; Schlueter, Alexander; Carell, Thomas; Zinth, Wolfgang

    2014-10-13

    Excited-state dynamics are essential to understanding the formation of DNA lesions induced by UV light. By using femtosecond IR spectroscopy, it was possible to determine the lifetimes of the excited states of all four bases in the double-stranded environment of natural DNA. After UV excitation of the DNA duplex, we detected a concerted decay of base pairs connected by Watson-Crick hydrogen bonds. A comparison of single- and double-stranded DNA showed that the reactive charge-transfer states formed in the single strands are suppressed by base pairing in the duplex. The strong influence of the Watson-Crick hydrogen bonds indicates that proton transfer opens an efficient decay path in the duplex that prohibits the formation or reduces the lifetime of reactive charge-transfer states. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Ioniclike energy structure of neutral core-excited states in free Kr clusters

    International Nuclear Information System (INIS)

    Peredkov, S.; Sorensen, S.L.; Kivimaeki, A.; Schulz, J.; Maartensson, N.; Oehrwall, G.; Lundwall, M.; Rander, T.; Lindblad, A.; Bergersen, H.; Svensson, S.; Bjoerneholm, O.; Tchaplyguine, M.

    2005-01-01

    The development of electronic states in krypton clusters is investigated by high-resolution core-level electron spectroscopy. The energy ordering of bulk versus surface 3d -1 np(n>5) core-excited states in neutral clusters is demonstrated to be reversed to the 3d -1 5p level situation. The cluster 3d -1 6p,7p states are proven to be at a lower energy than the corresponding atomic levels. These findings reveal the ioniclike energy structure of the neutral cluster core-excited levels. The phenomenon is explained by a spatial spread of the excited orbitals over the cluster lattice

  8. The Excited Electronic States Calculated for Cd1−xZnxS Quantum Dots Grown by the Sol-Gel Technique

    Directory of Open Access Journals (Sweden)

    A. Sakly

    2010-01-01

    Full Text Available The present paper is aimed to investigate theoretically the quantum confinement in Cd1−xZnxS-related quantum dots with x the atomic fraction of Zn. For both electrons and holes, we have calculated the excited bound states with use of the spherical geometry model and assuming a finite potential at the boundary. For electrons, calculations were made by using Bessel function as an orthonormal basis. However, for holes, the confined subbands have been calculated based on squared quantum well envelope wave functions. The subband energies were evaluated for both electrons and holes versus zinc composition as well.

  9. Clustered chimera states in systems of type-I excitability

    International Nuclear Information System (INIS)

    Vüllings, Andrea; Omelchenko, Iryna; Hövel, Philipp; Hizanidis, Johanne

    2014-01-01

    The chimera state is a fascinating phenomenon of coexisting synchronized and desynchronized behaviour that was discovered in networks of nonlocally coupled identical phase oscillators over ten years ago. Since then, chimeras have been found in numerous theoretical and experimental studies and more recently in models of neuronal dynamics as well. In this work, we consider a generic model for a saddle-node bifurcation on a limit cycle representative of neural excitability type I. We obtain chimera states with multiple coherent regions (clustered chimeras/multi-chimeras) depending on the distance from the excitability threshold, the range of nonlocal coupling and the coupling strength. A detailed stability diagram for these chimera states and other interesting coexisting patterns (like traveling waves) is presented. (paper)

  10. An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

    Energy Technology Data Exchange (ETDEWEB)

    Pavanello, Michele [Department of Chemistry, Rutgers University, Newark, New Jersey 07102-1811 (United States); Van Voorhis, Troy [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Visscher, Lucas [Amsterdam Center for Multiscale Modeling, VU University, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Neugebauer, Johannes [Theoretische Organische Chemie, Organisch-Chemisches Institut der Westfaelischen Wilhelms-Universitaet Muenster, Corrensstrasse 40, 48149 Muenster (Germany)

    2013-02-07

    Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

  11. Bound states and scattering coefficients of the -aδ(x)+bδ'(x) potential

    International Nuclear Information System (INIS)

    Gadella, M.; Negro, J.; Nieto, L.M.

    2009-01-01

    We show that a one-dimensional Schroedinger equation in which the potential is a delta well plus a δ ' interaction at the same point has a bound state, and we obtain the energy of this bound state in terms of the parameters. In addition, the expression of the reflection and transmission coefficients is also fully determined

  12. Relativistic four-component potential energy curves for the lowest 23 covalent states of molecular bromine (Br2).

    Science.gov (United States)

    Gomes, José da Silva; Gargano, Ricardo; Martins, João B L; M de Macedo, Luiz Guilherme

    2014-08-07

    The covalent excited states and ground state of the Br2 molecule has been investigated by using four-component relativistic COSCI and MRCISD methods. These methods were performed for all covalent states in the representation Ω((±)). Calculated potential energy curves (PECs) were obtained at the four-component COSCI level, and spectroscopic constants (R(e), D(e), D0, ω(e), ω(e)x(e), ω(e)y(e), B(e), α(e), γ(e), Te, Dv) for bounded states are reported. The vertical excitations for all covalent states are reported at COSCI, MRCISD, and MRCISD+Q levels. We also present spectroscopic constants for two weakly bounded states (A':(1)2u and B':(1)0(-)u) not yet reported in the literature, as well as accurate analytical curves for all five relativistic molecular bounded sates [the ground state X:0 g(+) and the excited states A:(1)1(u), B:(1)0(u)(+), C:(2)1(u), and B':(1)0(u)(-)] found in this work.

  13. Interaction of solitons and the formation of bound states in the generalized Lugiato-Lefever equation

    Science.gov (United States)

    Parra-Rivas, Pedro; Gomila, Damia; Colet, Pere; Gelens, Lendert

    2017-07-01

    Bound states, also called soliton molecules, can form as a result of the interaction between individual solitons. This interaction is mediated through the tails of each soliton that overlap with one another. When such soliton tails have spatial oscillations, locking or pinning between two solitons can occur at fixed distances related with the wavelength of these oscillations, thus forming a bound state. In this work, we study the formation and stability of various types of bound states in the Lugiato-Lefever equation by computing their interaction potential and by analyzing the properties of the oscillatory tails. Moreover, we study the effect of higher order dispersion and noise in the pump intensity on the dynamics of bound states. In doing so, we reveal that perturbations to the Lugiato-Lefever equation that maintain reversibility, such as fourth order dispersion, lead to bound states that tend to separate from one another in time when noise is added. This separation force is determined by the shape of the envelope of the interaction potential, as well as an additional Brownian ratchet effect. In systems with broken reversibility, such as third order dispersion, this ratchet effect continues to push solitons within a bound state apart. However, the force generated by the envelope of the potential is now such that it pushes the solitons towards each other, leading to a null net drift of the solitons. Contribution to the Topical Issue "Theory and Applications of the Lugiato-Lefever Equation", edited by Yanne K. Chembo, Damia Gomila, Mustapha Tlidi, Curtis R. Menyuk.

  14. The triplet excited state of bilirubin

    International Nuclear Information System (INIS)

    Land, E.J.

    1976-01-01

    Pulse radiolysis of benzene solutions of 40 μM bilirubin alone or with 0.1 M biphenyl has yielded evidence for the formation of the triplet excited state of bilirubin. Measurements were made of a number of properties, including the absorption spectrum (lambdasub(max)500nm), lifetime 9μs), extinction coefficient (8800 M -1 cm -1 ), energy level (approximately 150 kJ mol -1 ) and the rate of quenching by oxygen (rate constant, 8.2 x 10 8 M -1 s -1 ). An upper limit of 0.1 has also been obtained for the singlet to triplet crossover efficiency of bilirubin following excitation by 353 nm radiation. Consideration is given to the relevance of these data to the mechanism of bilirubin photo-destruction, both in vivo and in vitro. (U.K.)

  15. Modelling Ca2+ bound Troponin in Excitation Contraction Coupling

    Directory of Open Access Journals (Sweden)

    Henry G. Zot

    2016-09-01

    Full Text Available To explain disparate decay rates of cytosolic Ca2+ and structural changes in the thin filaments during a twitch, we model the time course of Ca2+ bound troponin (Tn resulting from the free Ca2+ transient of fast skeletal muscle. In fibers stretched beyond overlap, the decay of Ca2+ as measured by a change in fluo 3 fluorescence is significantly slower than the intensity decay of the meridional 1/38.5 nm-1 reflection of Tn; this is not simply explained by considering only the Ca2+ binding properties of Tn alone (Matsuo, T., Iwamoto, H., and Yagi, N. (2010. Biophys. J. 99, 193-200. We apply a comprehensive model that includes the known Ca2+ binding properties of Tn in the context of the thin filament with and without cycling crossbridges. Calculations based on the model predict that the transient of Ca2+ bound Tn correlates with either the fluo 3 time course in muscle with overlapping thin and thick filaments or the intensity of the meridional 1/38.5 nm-1 reflection in overstretched muscle. Hence, cycling crossbridges delay the dissociation of Ca2+ from Tn. Correlation with the fluo 3 fluorescence change is not causal given that the transient of Ca2+ bound Tn depends on sarcomere length, whereas the fluo-3 fluorescence change does not. Transient positions of tropomyosin calculated from the time course of Ca2+ bound Tn are in reasonable agreement with the transient of measured perturbations of the Tn repeat in overlap and non-overlap muscle preparations.

  16. 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.

  17. Excited State s-cis Rotamers Produced by Extreme Red Edge Excitation of all-trans-1,4-Diphenyl-1,3-butadiene

    DEFF Research Database (Denmark)

    Wallace-Williams, Stacie E.; Møller, Søren; Goldbeck, Robert A.

    1993-01-01

    with the wavelength independence observed for the excited singlet-state absorption and fluorescence emission spectra of 1,5-diphenyl-2,3,4,6,7,8- hexahydronaphthalene and for the fluorescence emission spectra of 1,4diphenyl-1,3-cyclopentadiene, s-trans and s-cis structural analogs of DPB, respectively. The spectral...... changes in DPB can be explained in terms of an excitation wavelength-dependent production of s-cis and s-trans rotamer populations in the excited state. The DPB fluorescence emission spectrum was resolved into s-cis and s-trans components. The vibronic structure of the s-cis fluorescence spectrum...... is similar to that of s-trans, but the band origin is red-shifted and there is a slightly larger amplitude on the red edge. The excited-state absorption spectrum of s-cis DPB appears to be red-shifted relative to that of s-trans DPB as well....

  18. Study of highly excited high spin states via the (HI, α) reaction

    International Nuclear Information System (INIS)

    Kubono, S.

    1982-01-01

    Three subjects are discussed in this paper. 1) The mechanism of (HI, α) reactions is briefly studied. 2) Possible excitation of molecular resonance states of 12 C- 12 C in 24 Mg through the 12 C( 16 O, α) 24 Mg reaction were investigated. A precise measurement of the level widths in 24 Mg did not support the previous report that the molecular states seen in 12 C + 12 C scattering had been excited in the transfer reaction 12 C( 16 O, α) 24 Mg. 3) Highly excited states in 28 Si, which have a large parentage of 12 C- 16 O, were also studied via the 12 C( 20 Ne, α) 28 Si reaction. An angular correlation measurement revealed the lowest 8 + and 10 + states at 14.00 and 15.97 MeV, respectively, which were selectively excited in the 12 C( 20 Ne, α) reaction. These results suggest a possible new band in 28 Si. (author)

  19. 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.

  20. 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...

  1. Some studies on the formation of excited states of aromatic solutes in hydrocarbons and other solvents

    Energy Technology Data Exchange (ETDEWEB)

    Salmon, G A [Leeds Univ. (UK). Cookridge High Energy Radiation Research Centre

    1976-01-01

    This paper reviews the work of the author and his co-workers on the radiation-induced formation of excited states of aromatic compounds in solution. The experimental methods used are surveyed and in particular the method of measuring the yields of triplet and singlet excited states of the solute are described. The problems discussed are: (1) the effect of solvent on the yields of excited states, (2) formation of excited states in cyclohexane and other alicyclic hydrocarbons, (3) the formation of excited states in benzene and (4) the identification of T-T absorption spectra.

  2. Static and dynamic properties of QCD bound states

    International Nuclear Information System (INIS)

    Kubrak, Stanislav

    2015-01-01

    The QCD phenomenology can be faced with the framework of the coupled quark DSE, meson BSE and baryon Faddeev equation, providing non-perturbative, continuum and Poincare invariant scientific approach. The research performed throughout this thesis is twofold. From one perspective we focus on the investigation of mass spectra for mesons with total spin quantum number J=3 and arising Regge-trajectory for natural parity states J PC =1 -- ,2 ++ ,3 -- within rainbow-ladder single gluon exchange model. The other findings are concerning the impact of the pion cloud effect on J>2 meson states, baryon masses, namely on Nucleon and Delta three-body bound states and meson dynamical properties like the pion form factor.

  3. Excitation of spin-1 states in 166168170Er using bremsstrahlung

    International Nuclear Information System (INIS)

    Metzger, F.R.

    1976-01-01

    Some 40 states in 166 , 168 , 170 Er, most of them previously unknown, have been excited using bremsstrahlung with < or =4.2 MeV endpoint energy. For all but three of these levels, the angular distribution of the resonantly scattered radiation favors the assignment of spin 1. For some of the strongly excited levels, linear polarization measurements have been performed. They indicate that these levels have positive parity. The branching ratios further characterize them as K=1 excitations

  4. Excited-state dynamics of the medicinal pigment curcumin in a hydrogel.

    Science.gov (United States)

    Harada, Takaaki; Lincoln, Stephen F; Kee, Tak W

    2016-10-12

    Curcumin is a yellow polyphenol with multiple medicinal effects. These effects, however, are limited due to its poor aqueous stability and solubility. A hydrogel of 3% octadecyl randomly substituted polyacrylate (PAAC18) has been shown to provide high aqueous stability for curcumin under physiological conditions, offering a route for photodynamic therapy. In this study, the excited-state photophysics of curcumin in the PAAC18 hydrogel is investigated using a combination of femtosecond transient absorption and fluorescence upconversion spectroscopy. The transient absorption results reveal a multiexponential decay in the excited-state kinetics with fast (1 ps & 15 ps) and slow (110 ps & ≈5 ns) components. The fast decay component exhibits a deuterium isotope effect with D 2 O in the hydrogel, indicating that the 15 ps decay component is attributable to excited-state intramolecular hydrogen atom transfer of curcumin in the PAAC18 hydrogel. In addition, solvent reorganisation of excited-state curcumin is investigated using multiwavelength femtosecond fluorescence upconversion spectroscopy. The results show that the dominant solvation response (τ = 0.08 ps) is a fast inertial motion owing to the presence of bulk-like water in the vicinity of the hydrophobic octadecyl substituents of the PAAC18 hydrogel. The results also show an additional response with longer time constants of 1 and 6 ps, which is attributable to translational diffusion of confined water molecules in the three-dimensional, cross-linking network of the octadecyl substituents of PAAC18. Overall, we show that excited-state intramolecular hydrogen atom transfer and solvent reorganisation are major photophysical events for curcumin in the PAAC18 hydrogel.

  5. Crystal structure of a Na+-bound Na+,K+-ATPase preceding the E1P state.

    Science.gov (United States)

    Kanai, Ryuta; Ogawa, Haruo; Vilsen, Bente; Cornelius, Flemming; Toyoshima, Chikashi

    2013-10-10

    Na(+),K(+)-ATPase pumps three Na(+) ions out of cells in exchange for two K(+) taken up from the extracellular medium per ATP molecule hydrolysed, thereby establishing Na(+) and K(+) gradients across the membrane in all animal cells. These ion gradients are used in many fundamental processes, notably excitation of nerve cells. Here we describe 2.8 Å-resolution crystal structures of this ATPase from pig kidney with bound Na(+), ADP and aluminium fluoride, a stable phosphate analogue, with and without oligomycin that promotes Na(+) occlusion. These crystal structures represent a transition state preceding the phosphorylated intermediate (E1P) in which three Na(+) ions are occluded. Details of the Na(+)-binding sites show how this ATPase functions as a Na(+)-specific pump, rejecting K(+) and Ca(2+), even though its affinity for Na(+) is low (millimolar dissociation constant). A mechanism for sequential, cooperative Na(+) binding can now be formulated in atomic detail.

  6. 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.

  7. 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

    to spin state, can elucidate the spin crossover dynamics of [Fe(2,2'-bipyridine)(3)](2+) on photoinduced metal-to-ligand charge transfer excitation. We are able to track the charge and spin dynamics, and establish the critical role of intermediate spin states in the crossover mechanism. We anticipate......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...

  8. Linear-scaling quantum mechanical methods for excited states.

    Science.gov (United States)

    Yam, ChiYung; Zhang, Qing; Wang, Fan; Chen, GuanHua

    2012-05-21

    The poor scaling of many existing quantum mechanical methods with respect to the system size hinders their applications to large systems. In this tutorial review, we focus on latest research on linear-scaling or O(N) quantum mechanical methods for excited states. Based on the locality of quantum mechanical systems, O(N) quantum mechanical methods for excited states are comprised of two categories, the time-domain and frequency-domain methods. The former solves the dynamics of the electronic systems in real time while the latter involves direct evaluation of electronic response in the frequency-domain. The localized density matrix (LDM) method is the first and most mature linear-scaling quantum mechanical method for excited states. It has been implemented in time- and frequency-domains. The O(N) time-domain methods also include the approach that solves the time-dependent Kohn-Sham (TDKS) equation using the non-orthogonal localized molecular orbitals (NOLMOs). Besides the frequency-domain LDM method, other O(N) frequency-domain methods have been proposed and implemented at the first-principles level. Except one-dimensional or quasi-one-dimensional systems, the O(N) frequency-domain methods are often not applicable to resonant responses because of the convergence problem. For linear response, the most efficient O(N) first-principles method is found to be the LDM method with Chebyshev expansion for time integration. For off-resonant response (including nonlinear properties) at a specific frequency, the frequency-domain methods with iterative solvers are quite efficient and thus practical. For nonlinear response, both on-resonance and off-resonance, the time-domain methods can be used, however, as the time-domain first-principles methods are quite expensive, time-domain O(N) semi-empirical methods are often the practical choice. Compared to the O(N) frequency-domain methods, the O(N) time-domain methods for excited states are much more mature and numerically stable, and

  9. Two-electron excitation in slow ion-atom collisions: Excitation mechanisms and interferences among autoionizing states

    International Nuclear Information System (INIS)

    Kimura, M.; Rice Univ., Houston, TX

    1990-01-01

    The two-electron capture or excitation process resulting from collisions of H + and O 6+ ions with He atoms in the energy range from 0.5 keV/amu to 5 keV/amu is studied within a molecular representation. The collision dynamics for formation of doubly excited O 4+ ions and He** atoms and their (n ell, n'ell ') populations are analyzed in conjunction with electron correlations. Autoionizing states thus formed decay through the Auger process. An experimental study of an ejected electron energy spectrum shows ample structures in addition to two characteristic peaks that are identified by atomic and molecular autoionizations. These structures are attributable to various interferences among electronic states and trajectories. We examine the dominant sources of the interferences. 12 refs., 5 figs

  10. Gate-tunable Andreev bound states in InSb nanowire Josephson junction

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Ning; Li, Sen; Fan, Dingxun; Xu, Hongqi [Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Caroff, Philippe [Division of Solid State Physics, Lund University, P. O. Box 118, S-221 00 Lund (Sweden)

    2016-07-01

    Hybrid InSb nanowire-superconductor devices are promising candidates for investigating Majorana modes in solid-state devices and future technologies of topological quantum manipulation. Here, we report low-temperature transport measurements on an individual InSb nanowire quantum dot coupled to superconducting contacts that exhibit an interplay between the Kondo effects and superconductivity. We observed two types of subgap resonance states within the superconducting gap, which can be attributed to gate-tunable Andreev bound states in Coulomb valleys with different Kondo temperatures. The presence of the gate-tunable 0 and pi junction allow us to investigate the fundamental 0- pi transition. Detailed magnetic field and temperature evolution of level spectroscopy demonstrate different behavior of two types of the Andreev bound states. Our results exhibit that the InSb nanowires can provide a promising platform for exploring phase coherence transport and the effect of spin-orbit coupling in semiconductor nanowire-superconductor hybrid device.

  11. Using narrowband excitation to confirm that the S∗ state in carotenoids is not a vibrationally-excited ground state species

    Science.gov (United States)

    Jailaubekov, Askat E.; Song, Sang-Hun; Vengris, Mikas; Cogdell, Richard J.; Larsen, Delmar S.

    2010-02-01

    The hypothesis that S∗ is a vibrationally-excited ground-state population is tested and discarded for two carotenoid samples: β-carotene in solution and rhodopin glucoside embedded in the light harvesting 2 protein from Rhodopseudomonas acidophila. By demonstrating that the transient absorption signals measured in both systems that are induced by broadband (1000 cm -1) and narrowband (50 cm -1) excitation pulses are near identical and hence bandwidth independent, the impulsive stimulated Raman scattering mechanism proposed as the primary source for S∗ generation is discarded. To support this conclusion, previously published multi-pulse pump-dump-probe signals [17] are revisited to discard secondary mechanisms for S∗ formation.

  12. Self-energy correction to the hyperfine splitting for excited states

    International Nuclear Information System (INIS)

    Wundt, B. J.; Jentschura, U. D.

    2011-01-01

    The self-energy corrections to the hyperfine splitting is evaluated for higher excited states in hydrogenlike ions using an expansion in the binding parameter Zα, where Z is the nuclear-charge number and α is the fine-structure constant. We present analytic results for D, F, and G states, and for a number of highly excited Rydberg states, with principal quantum numbers in the range 13≤n≤16, and orbital angular momenta l=n-2 and l=n-1. A closed-form analytic expression is derived for the contribution of high-energy photons, valid for any state with l≥2 and arbitrary n, l, and total angular momentum j. The low-energy contributions are written in the form of generalized Bethe logarithms and evaluated for selected states.

  13. Mechanism for the Excited-State Multiple Proton Transfer Process of Dihydroxyanthraquinone Chromophores.

    Science.gov (United States)

    Zhou, Qiao; Du, Can; Yang, Li; Zhao, Meiyu; Dai, Yumei; Song, Peng

    2017-06-22

    The single and dual cooperated proton transfer dynamic process in the excited state of 1,5-dihydroxyanthraquinone (1,5-DHAQ) was theoretically investigated, taking solvent effects (ethanol) into account. The absorption and fluorescence spectra were simulated, and dual fluorescence exhibited, which is consistent with previous experiments. Analysis of the calculated IR and Raman vibration spectra reveals that the intramolecular hydrogen bonding interactions (O 20 -H 21 ···O 24 and O 22 -H 23 ···O 25 ) are strengthened following the excited proton transfer process. Finally, by constructing the potential energy surfaces of the ground state, first excited singlet state, and triplet state, the mechanism of the intramolecular proton transfer of 1,5-DHAQ can be revealed.

  14. Equations of state for self-excited MHD generator studies

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, F.J.; Ross, M.; Haggin, G.L.; Wong, L.K.

    1980-02-26

    We have constructed a state-of-the-art equation of state (EOS) for argon covering the temperature density range attainable by currently proposed self-excited MHD generators. The EOS for conditions in the flow channel was obtained primarily by a non-ideal plasma code (ACTEX) that is based on a many body activity expansion. For conditions in the driver chamber the EOS was primarily obtained from a fluid code (HDFP) that calculates the fluid properties from perturbation theory based on the insulator interatomic pair potential but including electronic excitations. The results are in agreement with several sets of experimental data in the 0.6 - 91 GPa pressure range.

  15. Bottom-up excited state dynamics of two cinnamate-based sunscreen filter molecules.

    Science.gov (United States)

    Peperstraete, Yoann; Staniforth, Michael; Baker, Lewis A; Rodrigues, Natércia D N; Cole-Filipiak, Neil C; Quan, Wen-Dong; Stavros, Vasilios G

    2016-10-12

    Methyl-E-4-methoxycinnamate (E-MMC) is a model chromophore of the commonly used commercial sunscreen agent, 2-ethylhexyl-E-4-methoxycinnamate (E-EHMC). In an effort to garner a molecular-level understanding of the photoprotection mechanisms in operation with E-EHMC, we have used time-resolved pump-probe spectroscopy to explore E-MMC's and E-EHMC's excited state dynamics upon UV-B photoexcitation to the S 1 (1 1 ππ*) state in both the gas- and solution-phase. In the gas-phase, our studies suggest that the excited state dynamics are driven by non-radiative decay from the 1 1 ππ* to the S 3 (1 1 nπ*) state, followed by de-excitation from the 1 1 nπ* to the ground electronic state (S 0 ). Using both a non-polar-aprotic solvent, cyclohexane, and a polar-protic solvent, methanol, we investigated E-MMC and E-EHMC's photochemistry in a more realistic, 'closer-to-shelf' environment. A stark change to the excited state dynamics in the gas-phase is observed in the solution-phase suggesting that the dynamics are now driven by efficient E/Z isomerisation from the initially photoexcited 1 1 ππ* state to S 0 .

  16. Coexistence of a bound state and scattering at the same energy value: a quantum paradox

    International Nuclear Information System (INIS)

    Chabanov, V.M.; Zakhar'ev, B.N.

    1998-01-01

    The example of a multi-channel system which possesses both bound (not quasi-bound !) and scattering states at the same energy value E is demonstrated. A special interaction has ability to confine waves near the origin and simultaneously admit scattering (even with transparency) at the fixed spectral point. These interaction matrices and wave functions can be continued to the whole axis. As another multi-channel peculiarity having no one-channel analogues was found a class of absolutely transparent interaction matrices without bound states

  17. The structure of nuclear states at low, intermediate and high excitation energies

    International Nuclear Information System (INIS)

    Soloviev, V.G.

    1976-01-01

    It is shown that within the model based on the quasiparticle-phonon interaction one can obtain the description of few-quasiparticle components of nuclear states at low, intermediate and high excitation energies. For the low-lying states the energy of each level is calculated. The few-quasiparticle components at intermediate and high excitation energies are represented to be averaged in certain energy intervals and their characteri stics are given as the corresponding strength functions. The fragmentation of single-particle states in deformed nuclei is studied. It is shown that in the distribution of the single-particle strength alongside with a large maximum there appear local maxima and the distribution itself has a long tail. The dependence of neutron strength functions on the excitation energy is investigated for the transfer reaction of the type (d,p) and (d,t). The s,- p,- and d-wave neutron strength functions are calculated at the neutron binding energy Bn. A satisfactory agreement with experiment is obtained. The energies and Elambda-strength functions for giant multipole resonances in deformed nuclei are calculated. The energies of giant quadrupole and octupole resonances are calculated. Their widths and fine structure are being studied. It is stated that to study the structure of highly excited states it is necessary to find the values of many-quasiparticle components of the wave functions. The ways of experimental determination of these components based on the study of γ-transitions between highly excited states are discussed

  18. A narrow quasi-bound state of the DNN system

    International Nuclear Information System (INIS)

    Doté, A.; Bayar, M.; Xiao, C.W.; Hyodo, T.; Oka, M.; Oset, E.

    2013-01-01

    We have investigated a charmed system of DNN (composed of two nucleons and a D meson) by a complementary study with a variational calculation and a Faddeev calculation with fixed-center approximation (Faddeev-FCA). In the present study, we employ a DN potential based on a vector–meson exchange picture in which a resonant Λ c (2595) is dynamically generated as a DN quasi-bound state, similarly to the Λ(1405) as a K ¯ N one in the strange sector. As a result of the study of variational calculation with an effective DN potential and three kinds of NN potentials, the DNN(J π =0 − ,I=1/2) is found to be a narrow quasi-bound state below Λ c (2595)N threshold: total binding energy ∼225 MeV and mesonic decay width ∼25 MeV. On the other hand, the J π =1 − state is considered to be a scattering state of Λ c (2595) and a nucleon. These results are essentially supported by the Faddeev-FCA calculation. By the analysis of the variational wave function, we have found a unique structure in the DNN(J π =0 − ,I=1/2) such that the D meson stays around the center of the total system due to the heaviness of the D meson

  19. A search for bound states of the /eta/-meson in light nuclei

    International Nuclear Information System (INIS)

    Pile, P.H.

    1988-01-01

    This paper describes an experiment designed to search for a new form of nuclear matter--a bound /eta/-nucleus system. The (π + ,p) reaction was used to study the possible formation of an /eta/-mesic nucleus. No narrow /eta/-nuclear bound states were observed using 7 Li, 12 C, 16 O and 27 Al targets. 7 refs., 4 figs., 1 tab

  20. Ultra-high resolution spectroscopy of the He doubly excited states

    International Nuclear Information System (INIS)

    Bozek, J.D.; Schlachter, A.S.; Kaindl, G.; Schulz, K.

    1995-11-01

    Photoionization spectra of the doubly-excited states of He were measured using beamline 9.0.1 at the Advanced Light Source. The beamline utilizes a 4.5 m long 8 cm period undulator as its source together with a spherical grating monochromator to provide an extremely bright source of photons in the range of 20 - 300 eV. A resolving power (E/ΔE) of 64,000 was obtained from the 1 MeV FWEM (2p,3d) doubly excited state resonance of He at 64.12 eV. The high brightness of the source and the very high quality optical elements of the beamline were all essential for achieving such a high resolution. The beamline components and operation are described and spectra of the double excitation resonances of He presented

  1. 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.

  2. Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.

    Science.gov (United States)

    Ruberti, M; Yun, R; Gokhberg, K; Kopelke, S; Cederbaum, L S; Tarantelli, F; Averbukh, V

    2014-05-14

    Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.

  3. Triplet Excited States as a Source of Relevant (Bio)Chemical Information

    OpenAIRE

    Jiménez Molero, María Consuelo; Miranda Alonso, Miguel Ángel

    2014-01-01

    The properties of triplet excited states are markedly medium-dependent, which turns this species into valuable tools for investigating the microenvironments existing in protein binding pockets. Monitoring of the triplet excited state behavior of drugs within transport proteins (serum albumins and alpha(1)-acid glycoproteins) by laser flash photolysis constitutes a valuable source of information on the strength of interaction, conformational freedom and protection from oxygen or other external...

  4. The role of the excited electronic states in the C++H2O reaction

    International Nuclear Information System (INIS)

    Flores, Jesus R.; Gonzalez, Adan B.

    2008-01-01

    The electronic excited states of the [COH 2 ] + system have been studied in order to establish their role in the dynamics of the C + +H 2 O→[COH] + +H reaction, which is a prototypical ion-molecule reaction. The most relevant minima and saddle points of the lowest excited state have been determined and energy profiles for the lowest excited doublet and quartet electronic states have been computed along the fragmentation and isomerization coordinates. Also, nonadiabatic coupling strengths between the ground and the first excited state have been computed where they can be large. Our analysis suggests that the first excited state could play an important role in the generation of the formyl isomer, which has been detected in crossed beam experiments [D. M. Sonnenfroh et al., J. Chem. Phys. 83, 3985 (1985)], but could not be explained in quasiclassical trajectory computations [Y. Ishikawa et al., Chem. Phys. Lett. 370, 490 (2003); J. R. Flores, J. Chem. Phys. 125, 164309 (2006)

  5. Excited states in stochastic electrodynamics

    International Nuclear Information System (INIS)

    Franca, H.M.; Marshall, T.W.

    1987-12-01

    It is shown that the set of Wigner functions associated with the excited states of the harmonic oscillator constitute a complete set of functions over the phase space. An arbitraty distribution can be expanded in terms of these Wigner functions. By studying the time evolution, according to Stochastic Electrodynamics, of the expansion coefficients, becomes feasible to separate explicity the contributionsof the radiative reaction and the vaccuum field to the Einsten. A coefficients for this system. A simple semiclassical explanation of the Weisskopf-Heitler phenomenon in resonance fluorescence is also supplied. (author) [pt

  6. Bound and resonant states in Coulomb-like potentials

    International Nuclear Information System (INIS)

    Papp, Z.

    1985-12-01

    The potential separable expansion method was generalized for calculating bound and resonant states in Coulomb-like potentials. The complete set of Coulomb-Sturmian functions was taken as the basis to expand the short-range potential. On this basis the matrix elements of the Coulomb-Green functions were given in closed form as functions of the (complex) energy. The feasibility of the method is demonstrated by a numerical example. (author)

  7. 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...

  8. Boson bound states in the β-Fermi–Pasta–Ulam model

    Indian Academy of Sciences (India)

    The bound states of four bosons in the quantum -Fermi–Pasta–Ulam model are investigated and some interesting results are presented using the number conserving approximation combined ... Proceedings of the International Workshop/Conference on Computational Condensed Matter Physics and Materials Science

  9. What are the advantages of a three body model with core excitation for 21Ne and 21Na?

    International Nuclear Information System (INIS)

    Nunes, F.M.; Thompson, I.J.

    2004-01-01

    21 Ne and 21 Na are well bound nuclei and there is a large amount of data available up to considerable excitation energy, and this imposes a severe test on the structure models. Preliminary results for the structure of these nuclei based on three body models ( 21 Ne= 16 O+α+n and 21 Na= 16 O+α+p) are presented. Three-body calculations without core excitation produce the positive parity states in fair agreement with experiment, while slightly overbinding the systems. As expected, these models fail to reproduce the low lying negative parity states, which are predicted by shell model to have mainly core excited configurations. As a first step we have included the 3 - state of 16 O in our model. Convergence issues will be discussed. Results suggest that more excited states may be required to describe the system

  10. Excited states of 12C above the alpha-decay threshold

    International Nuclear Information System (INIS)

    Freer, M; Ashwood, N I; Barr, M; Curtis, N; Malcolm, J D; Wheldon, C; Ziman, V A; Almaraz-Calderon, S; Aprahamian, A; Bucher, B; Couder, M; Fang, X; Jung, F; Lu, W; Roberts, A; Tan, W P; Copp, P; Lesher, S

    2011-01-01

    The excitation energy spectrum of 12 C is important for both structural and astrophysical reasons; here we present evidence for a new state in 12 C. The two reactions 12 C( 4 He, 4 He+ 4 He+ 4 He) 4 He and 9 Be( 4 He, 4 He+ 4 He+ 4 He)n were measured using an array of four double sided strip detectors. Excited states in 12 C were reconstructed filtered by the condition that the alpha-decay proceeded via the 8 Be ground-state. In both measurements evidence was found for a new state at 13.3(0.2) MeV with a width 1.7(0.2) MeV. Angular correlation measurements from the 12 C( 4 He, 4 He+ 4 He+ 4 He) 4 He reaction indicates that the state may have J π = 4 + .

  11. Calculation of neutral beam deposition accounting for excited states

    International Nuclear Information System (INIS)

    Gianakon, T.A.

    1992-09-01

    Large-scale neutral-beam auxillary heating of plasmas has led to new plasma operational regimes which are often dominated by fast ions injected via the absorption of an energetic beam of hydrogen neutrals. An accurate simulation of the slowing down and transport of these fast ions requires an intimate knowledge of the hydrogenic neutral deposition on each flux surface of the plasma. As a refinement to the present generation of transport codes, which base their beam deposition on ground-state reaction rates, a new set of routines, based on the excited states of hydrogen, is presented as mechanism for computing the attenuation and deposition of a beam of energetic neutrals. Additionally, the numerical formulations for the underlying atomic physics for hydrogen impacting on the constiuent plasma species is developed and compiled as a numerical database. Sample results based on this excited state model are compared with the ground-state model for simple plasma configurations

  12. Dark excited states of carotenoids: Consensus and controversy

    Czech Academy of Sciences Publication Activity Database

    Polívka, Tomáš; Sundström, V.

    2009-01-01

    Roč. 477, 1-3 (2009), s. 1-11 ISSN 0009-2614 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoids * excited states * relaxation pathways * femtosecond spectroscopy Subject RIV: BO - Biophysics Impact factor: 2.291, year: 2009

  13. Absorption enhancement in type-II coupled quantum rings due to existence of quasi-bound states

    Science.gov (United States)

    Hsieh, Chi-Ti; Lin, Shih-Yen; Chang, Shu-Wei

    2018-02-01

    The absorption of type-II nanostructures is often weaker than type-I counterpart due to spatially separated electrons and holes. We model the bound-to-continuum absorption of type-II quantum rings (QRs) using a multiband source-radiation approach using the retarded Green function in the cylindrical coordinate system. The selection rules due to the circular symmetry for allowed transitions of absorption are utilized. The bound-tocontinuum absorptions of type-II GaSb coupled and uncoupled QRs embedded in GaAs matrix are compared here. The GaSb QRs act as energy barriers for electrons but potential wells for holes. For the coupled QR structure, the region sandwiched between two QRs forms a potential reservoir of quasi-bound electrons. Electrons in these states, though look like bound ones, would ultimately tunnel out of the reservoir through barriers. Multiband perfectly-matched layers are introduced to model the tunneling of quasi-bound states into open space. Resonance peaks are observed on the absorption spectra of type-II coupled QRs due to the formation of quasi-bound states in conduction bands, but no resonance exist in the uncoupled QR. The tunneling time of these metastable states can be extracted from the resonance and is in the order of ten femtoseconds. Absorption of coupled QRs is significantly enhanced as compared to that of uncoupled ones in certain spectral windows of interest. These features may improve the performance of photon detectors and photovoltaic devices based on type-II semiconductor nanostructures.

  14. Evidence for excited state intramolecular charge transfer in benzazole-based pseudo-stilbenes.

    Science.gov (United States)

    Santos, Fabiano da Silveira; Descalzo, Rodrigo Roceti; Gonçalves, Paulo Fernando Bruno; Benvenutti, Edilson Valmir; Rodembusch, Fabiano Severo

    2012-08-21

    Two azo compounds were obtained through the diazotization reaction of aminobenzazole derivatives and N,N-dimethylaniline using clay montmorillonite KSF as catalyst. The synthesized dyes were characterized using elemental analysis, Fourier transform infrared spectroscopy, and (13)C and (1)H NMR spectroscopy in solution. Their photophysical behavior was studied using UV-vis and steady-state fluorescence in solution. These dyes present intense absorption in the blue region. The spectral features of the azo compounds can be related to the pseudo-stilbene type as well as the E isomer of the dyes. Excitation at the absorption maxima does not produce emissive species in the excited state. However, excitation around 350 nm allowed dual emission of fluorescence, from both a locally excited (LE, short wavelength) and an intramolecular charge transfer (ICT, long wavelength) state, which was corroborated by a linear relation of the fluorescence maximum (ν(max)) versus the solvent polarity function (Δf) from the Lippert-Mataga correlation. Evidence of TICT in these dyes was discussed from the viscosity dependence of the fluorescence intensity in the ICT emission band. Theoretical calculations were also performed in order to study the geometry and charge distribution of the dyes in their ground and excited electronic states. Using DFT methods at the theoretical levels BLYP/Aug-cc-pVDZ, for geometry optimizations and frequency calculations, and B3LYP/6-311+G(2d), for single-point energy evaluations, the calculations revealed that the least energetic and most intense photon absorption leads to a very polar excited state that relaxes non-radioactively, which can be associated with photochemical isomerization.

  15. 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.

  16. Symanzik approach in modeling of bound states of Dirac particle in singular background

    Directory of Open Access Journals (Sweden)

    Pismak Yu. M.

    2017-01-01

    Full Text Available In the model of interaction of spinor field with homogeneous isotropic material plane constructed in framework of Symanzik approach, the bound states are studied. For localized near plane Dirac particle the expression for current, charge and density are presented. For bound state with massless dispersion law the current, charge and density are calculated for simplified model with 2 parameter exactly.The model can find application to a wide class of phenomena arising by the interaction of fields of quantum electrodynamics with two-dimensional materials.

  17. Does the Higgs mechanism favour electron-electron bound states in Maxwell-Chern-Simons QED3?

    International Nuclear Information System (INIS)

    Belich, Humberto; Helayeel-Neto, Jose Abdalla; Ferreira Junior, Manoel Messias

    2000-01-01

    Full text follows: We show that low-energy electron-electron bound states appear in the Maxwell-Chern-Simons (MCS) planar QED. In spite of the repulsive interaction mediated by the MCS gauge field, a net attractive interaction stems due to the Higgs mechanism through an Yukawa-type interaction. The spontaneous breaking of a local U(1)-symmetry is realized by a γ 6 -type potential. We conclude, by using the Schroedinger equation associated to the net attractive scattering potential, that electron-electron bound states arise in the model. Therefore, the Higgs mechanism overcomes the difficulties found out by Girotti et al. (Phys. Rev. Lett. 69 (1992) 2623) in searching for bound states in the MCS planar QED. (author)

  18. Lower bounds for ballistic current and noise in non-equilibrium quantum steady states

    Directory of Open Access Journals (Sweden)

    Benjamin Doyon

    2015-03-01

    Full Text Available Let an infinite, homogeneous, many-body quantum system be unitarily evolved for a long time from a state where two halves are independently thermalized. One says that a non-equilibrium steady state emerges if there are nonzero steady currents in the central region. In particular, their presence is a signature of ballistic transport. We analyze the consequences of the current observable being a conserved density; near equilibrium this is known to give rise to linear wave propagation and a nonzero Drude peak. Using the Lieb–Robinson bound, we derive, under a certain regularity condition, a lower bound for the non-equilibrium steady-state current determined by equilibrium averages. This shows and quantifies the presence of ballistic transport far from equilibrium. The inequality suggests the definition of “nonlinear sound velocities”, which specialize to the sound velocity near equilibrium in non-integrable models, and “generalized sound velocities”, which encode generalized Gibbs thermalization in integrable models. These are bounded by the Lieb–Robinson velocity. The inequality also gives rise to a bound on the energy current noise in the case of pure energy transport. We show that the inequality is satisfied in many models where exact results are available, and that it is saturated at one-dimensional criticality.

  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. Amplitudes and state parameters from ion- and atom-atom excitation processes

    International Nuclear Information System (INIS)

    Andersen, T.; Horsdal-Pedersen, E.

    1984-01-01

    This chapter examines single collisions between two atomic species, one of which is initially in a 1 S state (there is only one initial spin channel). The collisions are characterized by a definite scattering plane and a definite orientation. Topics considered include an angular correlation between scattered particles and autoionization electrons or polarized photons emitted from states excited in atomic collisions (photon emission, electron emission, selectivity excited target atoms), experimental methods for obtaining information on the alignment and orientation parameters of atoms or ions excited in specific collisions, results of experiments and numerical calculations (quasi-oneelectron systems, He + -He collisions, other collision systems), and future aspects and possible applications of the polarizedphoton, scattered-particle coincidence techniques to atomic spectroscopy

  1. Ultraheavy Yukawa-bound states of fourth-generation at Large ...

    Indian Academy of Sciences (India)

    2012-10-05

    Oct 5, 2012 ... Abstract. A study of bound states of the fourth-generation quarks in the range of 500–700 GeV is presented, where the binding energies are expected to be mainly of Yukawa origin, with QCD subdominant. Near degeneracy of their masses exhibits a new 'isospin'. The production of a colour- octet, isosinglet ...

  2. Bound-state β decay of a neutron in a strong magnetic field

    International Nuclear Information System (INIS)

    Kouzakov, Konstantin A.; Studenikin, Alexander I.

    2005-01-01

    The β decay of a neutron into a bound (pe - ) state and an antineutrino in the presence of a strong uniform magnetic field (B > or approx. 10 13 G) is considered. The β decay process is treated within the framework of the standard model of weak interactions. A Bethe-Salpeter formalism is employed for description of the bound (pe - ) system in a strong magnetic field. For the field strengths 10 13 18 G the estimate for the ratio of the bound-state decay rate w b and the usual (continuum-state) decay rate w c is derived. It is found that in such strong magnetic fields w b /w c ∼0.1-0.4. This is in contrast to the field-free case, where w b /w c ≅4.2x10 -6 [J. N. Bahcall, Phys. Rev. 124, 495 (1961); L. L. Nemenov, Sov. J. Nucl. Phys. 15, 582 (1972); X. Song, J. Phys. G: Nucl. Phys. 13, 1023 (1987)]. The dependence of the ratio w b /w c on the magnetic field strength B exhibits a logarithmiclike behavior. The obtained results can be important for applications in astrophysics and cosmology

  3. Localized bound states of fermions interacting via massive vector bosons

    International Nuclear Information System (INIS)

    Ionescu, D.C.; Reinhardt, J.; Mueller, B.; Greiner, W.; Soff, G.

    1988-11-01

    A model for composite consisting of fermions with internal degrees of freedom interacting via intermediate vector bosons (IVB) is constructed. We find highly localized, low-mass bound states in the Hartree-Fock approximation. We investigate the dependence of these states as function of the coupling constant and vector boson mass. In the limit of infinite vector boson mass the interaction is described by Fermi-type contact forces. (orig.)

  4. Boson bound states in the β-Fermi–Pasta–Ulam model

    Indian Academy of Sciences (India)

    5. — journal of. November 2013 physics pp. 839–848. Boson bound states in the ... of Basic Sciences, The First Aeronautical Institute of the Air Force, Xinyang 464000, ..... [4] N Boechler, G Theocharis, S Job, P G Kevrekidis, M A Porter and C ...

  5. Lifetime measurements of excited states in 17C: Possible interplay between collectivity and halo effects

    International Nuclear Information System (INIS)

    Suzuki, D.; Iwasaki, H.; Ong, H.J.; Imai, N.; Sakurai, H.; Nakao, T.; Aoi, N.; Baba, H.; Bishop, S.; Ichikawa, Y.; Ishihara, M.; Kondo, Y.; Kubo, T.; Kurita, K.; Motobayashi, T.; Nakamura, T.; Okumura, T.; Onishi, T.K.; Ota, S.; Suzuki, M.K.

    2008-01-01

    Lifetime measurements were performed on low-lying excited states of the neutron-rich isotope 17 C using the recoil shadow method. The γ-decay mean lifetimes were determined to be 583±21(stat)±35(syst) ps for the first excited state at 212 keV and 18.9±0.6(stat)±4.7(syst) ps for the second excited state at 333 keV. Based on a comparison with the empirical upper limits for the electromagnetic transition strengths, these decays are concluded to be predominantly M1 transitions. The reduced M1 transition probabilities to the ground state were deduced to be (1.0±0.1)x10 -2 μ N 2 and (8.2 -1.8 +3.2 )x10 -2 μ N 2 , respectively, for the first and second excited states. The strongly hindered M1 strength as well as the lowered excitation energy represents unique nature of the 212-keV state

  6. 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.

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

    International Nuclear Information System (INIS)

    Saini, R.K.; Das, K.

    2013-01-01

    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

  8. Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

    Science.gov (United States)

    Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

    2002-09-01

    Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

  9. General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

    Science.gov (United States)

    Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

    2013-11-21

    We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

  10. Scattering integral equations and four nucleon problem. Four nucleon bound states and scattering

    International Nuclear Information System (INIS)

    Narodetskij, I.M.

    1981-01-01

    Existing results from the application of integral equation technique four-nucleon bound states and scattering are reviewed. The purpose of this review is to provide a clear and elementary introduction in the integral equation method and to demonstrate its usefulness in physical applications. Developments in the actual numerical solutions of Faddeev-Yakubovsky type equations are such that a detailed comparison can be made with experiment. Bound state calculations indicate that a nonrelativistic description with pairwise nuclear forces does not suffice and additional degrees of freedom are noted [ru

  11. Concluding remarks of international symposium on highly excited states in nuclear reactions

    Energy Technology Data Exchange (ETDEWEB)

    Bernstein, A. M.; Ikegami, H.; Muraoka, M. [eds.

    1980-01-01

    This is the concluding remarks in the international symposium on highly excited states in nuclear reactions. The remarks concentrate on the giant quadrupole states. In the framework of the distorted wave Born approximation (DWB), the differential cross section can be deduced. The relevant transition matrix elements are defined, and the quantities which are measured in inelastic hadron (h, h') reactions are shown. These are used to obtain both neutron and proton transition multipole matrix elements. This is equivalent to make the isospin decomposition of the electromagnetic transition matrix elements. The ratios of the transition matrix elements of neutrons and protons of the lowest 2/sup +/ states in even-even single closed shell nuclei are evaluated and compared with experimental results. For each nucleus, the consistency between various measurements is generally good. The effect of the virtual excitation of giant 2/sup +/ states into the ground and first excited states of even-even nuclei is discussed. The accuracy of (h, h') results can be tested.

  12. In-gap bound states induced by interstitial Fe impurities in iron-based superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Degang, E-mail: degangzhang@yahoo.com

    2015-12-15

    Highlights: • We provide an explanation for the interesting STM observation of the robust zero energy bound state on the interstitial Fe impurities in iron-based superconductors. - Abstract: Based on a two-orbit four-band tight binding model, we investigate the low-lying electronic states around the interstitial excess Fe ions in the iron-based superconductors by using T-matrix approach. It is shown that the local density of states at the interstitial Fe impurity (IFI) possesses a strong resonance inside the gap, which seems to be insensitive to the doping and the pairing symmetry in the Fe–Fe plane, while a single or two resonances appear at the nearest neighboring (NN) Fe sites. The location and height of the resonance peaks only depend on the hopping t and the pairing parameter Δ{sub I} between the IFI and the NN Fe sites. These in-gap resonances are originated in the Andreev’s bound states due to the quasiparticle tunneling through the IFI, leading to the change of the magnitude of the superconducting order parameter. When both t and Δ{sub I} are small, this robust zero-energy bound state near the IFI is consistent with recent scanning tunneling microscopy observations.

  13. On satellite lines anomalies in OH excited states

    International Nuclear Information System (INIS)

    Elitzur, M.

    1976-01-01

    It is argued that different pumps produce similar distributions of populations in the first two excited states of OH. The pattern observed recently in G 219.3 - 07 by Whiteoak and Gardner can be due either to radiative or collisional pump. (author)

  14. Calculations of core-excited states in Li

    International Nuclear Information System (INIS)

    Verbockhaven, G.; Hansen, J.E.

    1999-01-01

    We report on progress in the calculation of three-electron states making use of B-spline basis sets. In particular we discuss the advantages and disadvantages of using a Hartree-Fock basis (expanded in B-splines) compared to the use of hydrogenic basis states. Preliminary results are presented for the 2 S terms in Li below the 1s2s 3 S limit at 64.4 eV. The 2 S terms have been studied less extensively than other core-excited states in Li. In this particular case the choice of basis has a large influence on the quality of the results. (orig.)

  15. Upper bounds on the relative energy difference of pure and mixed Gaussian states with a fixed fidelity

    International Nuclear Information System (INIS)

    Dodonov, V V

    2012-01-01

    Exact and approximate formulas for the upper bound of the relative energy difference of two Gaussian states with a fixed fidelity between them are derived. The reciprocal formulas for the upper bound of the fidelity for the fixed value of the relative energy difference are also obtained. The bounds appear higher for pure states than for mixed ones, and their maximal values correspond to squeezed vacuum states. In particular, to guarantee the relative energy difference less than 10%, for quite arbitrary Gaussian states, the fidelity between them must exceed the level 0.998866. (fast track communication)

  16. Excitation spectrum and staggering transformations in lattice quantum models.

    Science.gov (United States)

    Faria da Veiga, Paulo A; O'Carroll, Michael; Schor, Ricardo

    2002-08-01

    We consider the energy-momentum excitation spectrum of diverse lattice Hamiltonian operators: the generator of the Markov semigroup of Ginzburg-Landau models with Langevin stochastic dynamics, the Hamiltonian of a scalar quantum field theory, and the Hamiltonian associated with the transfer matrix of a classical ferromagnetic spin system at high temperature. The low-lying spectrum consists of a one-particle state and a two-particle band. The two-particle spectrum is determined using a lattice version of the Bethe-Salpeter equation. In addition to the two-particle band, depending on the lattice dimension and on the attractive or repulsive character of the interaction between the particles of the system, there is, respectively, a bound state below or above the two-particle band. We show how the existence or nonexistence of these bound states can be understood in terms of a nonrelativistic single-particle lattice Schrödinger Hamiltonian with a delta potential. A staggering transformation relates the spectra of the attractive and the repulsive cases.

  17. Formation of excited states in high-Z helium-like systems

    International Nuclear Information System (INIS)

    Fritzsche, S.; Fricke, B.; Brinzanescu, O.

    1999-12-01

    High-Z helium-like ions represent the simplest multi-electron systems for studying the interplay between electron-electron correlations, relativistic as well as quantum electrodynamical effects in strong fields. In contrast to the adjacent lithium-like ions, however, almost no experimental information is available about the excited states in the high-Z domain of the helium sequence. Here, we present a theoretical analysis of the X-ray production and decay dynamics of the excited states in helium-like uranium. Emphasize has been paid particularly to the formation of the 3 P 0 and 3 P 2 levels by using electron capture into hydrogen-like U 91+ . Both states are of interest for precise measurements on high-Z helium-like ions in the future. (orig.)

  18. A new probe of solvent accessibility of bound photosensitizers. 1. Ruthenium(II) and osmium(II) photosensitizers in sodium lauryl sulfate micelles

    International Nuclear Information System (INIS)

    Hauenstein, B.L. Jr.; Dressick, W.J.; Buell, S.L.; Demas, J.N.; DeGraff, B.A.

    1983-01-01

    A new method of measuring solvent accessibility of photosensitizers bound to organized media is presented. In particular, the solvent accessibility of a series of ruthenium(II) and osmium(II) photosensitizers bound to sodium lauryl sulfate micelles has been determined. The method takes advantage of the large solvent deuterium effect on the excited-state lifetimes of these complexes. The solvent accessibility of the bound complexes correlates with the hydrophobicity of the ligands. The potential application of this method to a variety of other systems is mentioned

  19. Direct Electron Impact Excitation of Rydberg-Valence States of Molecular Nitrogen

    Science.gov (United States)

    Malone, C. P.; Johnson, P. V.; Liu, X.; Ajdari, B.; Muleady, S.; Kanik, I.; Khakoo, M. A.

    2012-12-01

    Collisions between electrons and neutral N2 molecules result in emissions that provide an important diagnostic probe for understanding the ionospheric energy balance and the effects of space weather in upper atmospheres. Also, transitions to singlet ungerade states cause N2 to be a strong absorber of solar radiation in the EUV spectral range where many ro-vibrational levels of these Rydberg-valence (RV) states are predissociative. Thus, their respective excitation and emission cross sections are important parameters for understanding the [N]/[N2] ratio in the thermosphere of nitrogen dominated atmospheres. The following work provides improved constraints on absolute and relative excitation cross sections of numerous RV states of N2, enabling more physically accurate atmospheric modeling. Here, we present recent integral cross sections (ICSs) for electron impact excitation of RV states of N2 [6], which were based on the differential cross sections (DCSs) derived from electron energy-loss (EEL) spectra of [5]. This work resulted in electronic excitation cross sections over the following measured vibrational levels: b 1Πu (v‧=0-14), c3 1Πu (v‧=0-3), o3 1Πu (v‧=0-3), b‧ 1Σu+ (v‧=0-10), c‧4 1Σu+ (v‧=0-3), G 3Πu (v‧=0-3), and F 3Πu (v‧=0-3). We further adjusted the cross sections of the RV states by extending the vibronic contributions to unmeasured v‧-levels via the relative excitation probabilities (REPs) as discussed in [6]. This resulted in REP-scaled ICSs over the following vibrational levels for the singlet ungerade states: b(0-19), c3(0-4), o3(0-4), b‧(0-16), and c‧4(0-8). Comparison of the ICSs of [6] with available EEL based measurements, theoretical calculations, and emission based work generally shows good agreement within error estimations, except with the recent reevaluation provided by [1]. Further, we have extended these results, using the recent EEL data of [3], to include the unfolding of better resolved features above ~13

  20. Algorithms for polynomial spectral factorization and bounded-real balanced state space representations

    NARCIS (Netherlands)

    Rapisarda, P.; Trentelman, H.L.; Minh, H.B.

    We illustrate an algorithm that starting from the image representation of a strictly bounded-real system computes a minimal balanced state variable, from which a minimal balanced state realization is readily obtained. The algorithm stems from an iterative procedure to compute a storage function,

  1. 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

  2. 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

    2018-04-17

    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.

  3. Bound states of 27Al studied at selected 26Mg(p,γ)27Al resonances, ch. 1

    International Nuclear Information System (INIS)

    Maas, J.W.; Holvast, A.J.C.D.; Baghus, A.; Endt, P.M.

    1976-01-01

    Measurements of the γ-ray decay and angular distributions at eight low-energy (Esub(P) 26 Mg (p,γ) 27 Al resonances lead to the spin and parity assignments Jsup(π) = 3/2 + , 1/2 - , 3/2 - , 5/2 + , 5/2, 3/2 - , 9/2 - and 7/2 for the bound states at Esub(x) = 3.96, 4.05, 5.15, 5.25, 5.44, 6.16, 6.99, 7.23 and 7.47 MeV, respectively. For other levels, spin and parity limitations are set. Also reported are precise excitation energies, branching and mixing ratios and lifetime limits. For the resonances, additional information is given on energies, strengths and widths. The reaction Q-value is Q = 8267.2 +- 0.7 keV. The level scheme of 27 Al, complemented with these new data, is compared with the results from recent shell-model calculations

  4. R-matrix calculations for few-quark bound states

    International Nuclear Information System (INIS)

    Shalchi, M.A.; Hadizadeh, M.R.

    2016-01-01

    The R-matrix method is implemented to study the heavy charm and bottom diquark, triquark, tetraquark, and pentaquarks in configuration space, as the bound states of quark-antiquark, diquark-quark, diquark-antidiquark, and diquark-antitriquark systems, respectively. The mass spectrum and the size of these systems are calculated for different partial wave channels. The calculated masses are compared with recent theoretical results obtained by other methods in momentum and configuration spaces and also by available experimental data. (orig.)

  5. On some aspects of Coulomb excitation of nuclear rotational states

    International Nuclear Information System (INIS)

    Massmann, H.; Robotham, H.

    1979-01-01

    The Coulomb excitation of nuclear rotational states is studied with a semiclassical method using classical trajectories and the classical action in order to construct the excitation probabilities. This method allows one to consider the effect on the excitation probabilities of a weak nuclear potential. An explicit expression for the 'safe bombarding energy' that is the largest bombarding energy for which the nuclear force can be neglected, is found. Also the transfer of angular momentum to the projectile's orbit is considered. One finds that the dynamical distortion of the orbit has a measurable effect on the excitation probabilities for the case of very heavy ions. Furthermore, new dimensionless parameters measuring the dynamical distortion and the effect of the adiabaticity of the collision are introduced and discussed. (author)

  6. 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

    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...... 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...

  7. Shape resonances and the excitation of helium autoionising states by electrons in the 57-66 eV region

    International Nuclear Information System (INIS)

    Burgt, P.J.M. van der; Eck, J. van; Heideman, H.G.M.

    1986-01-01

    Optical excitation functions of singly excited helium states are presented, measured by detecting the yield of emitted photons as a function of the incident electron energy from 56 to 66 eV. Many structures are observed, which are caused by negative-ion resonances and by the decay of autoionising states followed by post-collision interaction. Some of the structures are interpreted as being caused by hitherto unknown shape resonances lying very close to the thresholds of a particular class of autoionising states. As these shape resonances almost exclusively decay to their respective parent (autoionising) states, thereby considerably enhancing the threshold excitation cross sections of these states, they can only be observed via the PCI effect on the excitation functions of (higher lying) singly excited states. Using the recently introduced supermultiplet classification for doubly excited states a selection rule for the near-threshold excitation of doubly excited states by electron impact is deduced from the measurements. Only states with large probabilities in the Wannier region of configuration space (where the two electrons are at nearly equal distances and on opposite sides of the nucleus) are strongly excited. It is pointed out that these states are precisely the states that can support the above mentioned shape resonances at their thresholds. (author)

  8. Dielectronic recombination rate coefficients to the excited states of CIII from CIV

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, U.; Kato, Takako; Ohira, Mituhiko

    1996-07-01

    Energy levels, radiative transition probabilities and autoionization rates for CIII including 1s{sup 2}2pnl` (n=2/6, l`{<=}(n-1)) and 1s{sup 2}3lnl` (n=3/6, l`{<=}(n-1)) states were calculated by using multi-configurational Hartree-Fock (Cowan code) method. Autoionizing levels above the 1s{sup 2}2s and 1s{sup 2}2p thresholds were considered and their contributions were computed. Branching ratios on the autoionization rate to the first threshold and intensity factor were calculated for satellite lines of CIII ion. The dielectronic recombination rate coefficients to the excited states for n=2-6 were calculated. The values for the excited states higher than n=6 were extrapolated and the total dielectronic recombination rate coefficients were also derived. The rate coefficients to the excited states were fitted to an analytical formula and the fitting parameters are given. (author)

  9. 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.

  10. Influence of the excited states on the electron-energy distribution function in low-pressure microwave argon plasmas

    International Nuclear Information System (INIS)

    Yanguas-Gil, A.; Cotrino, J.; Gonzalez-Elipe, A.R.

    2005-01-01

    In this work the influence of the excited states on the electron-energy distribution function has been determined for an argon microwave discharge at low pressure. A collisional-radiative model of argon has been developed taking into account the most recent experimental and theoretical values of argon-electron-impact excitation cross sections. The model has been solved along with the electron Boltzmann equation in order to study the influence of the inelastic collisions from the argon excited states on the electron-energy distribution function. Results show that under certain conditions the excited states can play an important role in determining the shape of the distribution function and the mean kinetic energy of the electrons, deplecting the high-energy tail due to inelastic processes from the excited states, especially from the 4s excited configuration. It has been found that from the populations of the excited states an excitation temperature can be defined. This excitation temperature, which can be experimentally determined by optical emission spectroscopy, is lower than the electron kinetic temperature obtained from the electron-energy distribution function

  11. Robustness of Majorana bound states in the short-junction limit

    NARCIS (Netherlands)

    Sticlet, D.C.; Nijholt, B.; Akhmerov, A.R.

    2017-01-01

    We study the effects of strong coupling between a superconductor and a semiconductor nanowire on the creation of the Majorana bound states, when the quasiparticle dwell time in the normal part of the nanowire is much shorter than the inverse superconducting gap. This "short-junction" limit is

  12. 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.

  13. Deeply bound pionic atom

    International Nuclear Information System (INIS)

    Toki, Hiroshi; Yamazaki, Toshimitsu

    1989-01-01

    The standard method of pionic atom formation does not produce deeply bound pionic atoms. A study is made on the properties of deeply bound pionic atom states by using the standard pion-nucleus optical potential. Another study is made to estimate the cross sections of the formation of ls pionic atom states by various methods. The pion-nucleus optical potential is determined by weakly bound pionic atom states and pion nucleus scattering. Although this potential may not be valid for deeply bound pionic atoms, it should provide some hint on binding energies and level widths of deeply bound states. The width of the ls state comes out to be 0.3 MeV and is well separated from the rest. The charge dependence of the ls state is investigated. The binding energies and the widths increase linearly with Z azbove a Z of 30. The report then discusses various methods to populate deeply bound pionic atoms. In particular, 'pion exchange' reactions are proposed. (n, pπ) reaction is discussed first. The cross section is calculated by assuming the in- and out-going nucleons on-shell and the produced pion in (n1) pionic atom states. Then, (n, dπ - ) cross sections are estimated. (p, 2 Heπ - ) reaction would have cross sections similar to the cross section of (n, dπ - ) reaction. In conclusion, it seems best to do (n, p) experiment on heavy nuclei for deeply bound pionic atom. (Nogami, K.)

  14. Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2 '-bipyridine)(CN)4]2-

    DEFF Research Database (Denmark)

    Kjær, Kasper Skov; Kunnus, Kristjan; Harlang, Tobias C. B.

    2018-01-01

    The excited state dynamics of solvated [Fe(bpy)(CN)4]2-, where bpy = 2,2'-bipyridine, show significant sensitivity to the solvent Lewis acidity. Using a combination of optical absorption and X-ray emission transient spectroscopies, we have previously shown that the metal to ligand charge transfer...... the MLCT excited state relaxation dynamics of [Fe(bpy)(CN)4]2- in water, a strong Lewis acid solvent. The charge-transfer excited state is now found to decay in less than 100 femtoseconds, forming a quasi-stable metal centered excited state with a 13 picosecond lifetime. We find that this MC excited state...... developed for solar applications....

  15. Interference spectra induced by a bichromatic field in the excited state of a three-level atom

    International Nuclear Information System (INIS)

    Mavroyannis, C.

    1998-01-01

    The interference spectra for the excited state of a three-level atom have been considered, where the strong and the weak atomic transitions leading to an electric dipole allowed excited state and to a metastable excited state are driven by resonant and nonresonant laser fields, respectively. In the low intensity limit of the strong laser field, there are two short lifetime excitations, the spontaneous one described by the weak signal field and the one induced by the strong laser field, both of which appear at the same frequency, and a long lifetime excitation induced by the weak laser field. The maximum intensities (heights) of the two peaks describing the short lifetime excitations take equal positive and negative values and, therefore, cancel each other out completely, while the long lifetime excitation dominates. This indicates the disappearance of the short lifetime excitations describing the strong atomic transition for a period equal to the lifetime of the long lifetime excitation, which is roughly equal to half of the lifetime of the metastable state. The computed spectra have been graphically presented and discussed at resonance and for finite detunings. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  16. 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.

  17. Bag-model analyses of proton-antiproton scattering and atomic bound states

    International Nuclear Information System (INIS)

    Alberg, M.A.; Freedman, R.A.; Henley, E.M.; Hwang, W.P.; Seckel, D.; Wilets, L.

    1983-01-01

    We study proton-antiproton (pp-bar ) scattering using the static real potential of Bryan and Phillips outside a cutoff radius rsub0 and two different shapes for the imaginary potential inside a radius R*. These forms, motivated by bag models, are a one-gluon-annihilation potential and a simple geometric-overlap form. In both cases there are three adjustable parameters: the effective bag radius R*, the effective strong coupling constant αsubssup*, and rsub0. There is also a choice for the form of the real potential inside the cutoff radius rsub0. Analysis of the pp-bar scattering data in the laboratory-momentum region 0.4--0.7 GeV/c yields an effective nucleon bag radius R* in the range 0.6--1.1 fm, with the best fit obtained for R* = 0.86 fm. Arguments are presented that the deduced value of R* is likely to be an upper bound on the isolated nucleon bag radius. The present results are consistent with the range of bag radii in current bag models. We have also used the resultant optical potential to calculate the shifts and widths of the sup3Ssub1 and sup1Ssub0 atomic bound states of the pp-bar system. For both states we find upward (repulsive) shifts and widths of about 1 keV. We find no evidence for narrow, strongly bound pp-bar states in our potential model

  18. Lower bounds for the ground states of He-isoelectronic series

    International Nuclear Information System (INIS)

    Fraga, Serafin

    1981-01-01

    A formulation, based on the concept of null local kinetic energy regions, has been developed for the determination of lower bounds for the ground state of a two-electron atom. Numerical results, obtained from Hartree-Fock functions, are presented for the elements He through Kr of the two-electron series

  19. Monitoring orientation and dynamics of membrane-bound melittin utilizing dansyl fluorescence.

    Science.gov (United States)

    Haldar, Sourav; Raghuraman, H; Chattopadhyay, Amitabha

    2008-11-06

    Melittin is a cationic hemolytic peptide isolated from the European honey bee, Apis mellifera. In spite of a number of studies, there is no consensus regarding the orientation of melittin in membranes. In this study, we used a melittin analogue that is covalently labeled at its amino terminal (Gly-1) with the environment-sensitive 1-dimethylamino-5-sulfonylnaphthalene (dansyl) group to obtain information regarding the orientation and dynamics of the amino terminal region of membrane-bound melittin. Our results show that the dansyl group in Dns-melittin exhibits red edge excitation shift in vesicles of 1,2-dioleoyl-sn-glycero-3-phosphocholine, implying its localization in a motionally restricted region of the membrane. This is further supported by wavelength-dependent anisotropy and lifetime changes and time-resolved emission spectra characterized by dynamic Stokes shift, which indicates relatively slow solvent relaxation in the excited state. Membrane penetration depth analysis using the parallax method shows that the dansyl group is localized at a depth of approximately 18 A from the center of the bilayer in membrane-bound Dns-melittin. Further analysis of dansyl and tryptophan depths in Dns-melittin shows that the tilt angle between the helix axis of membrane-bound melittin and the bilayer normal is approximately 70 degrees. Our results therefore suggest that melittin adopts a pseudoparallel orientation in DOPC membranes at low concentration.

  20. Interaction of D0-brane bound states and Ramond-Ramond photons

    International Nuclear Information System (INIS)

    Fatollahi, Amir H.

    2002-01-01

    We consider the problem of the interaction between a D0-brane bound state and one-form Ramond-Ramond (RR) photons using the world-line theory. Based on the fact that in the world-line theory the RR gauge fields depend on the matrix coordinates of D0-branes, the gauge fields also appear as matrices in the formulation. At the classical level, we derive the Lorentz-like equations of motion for D0-branes, and it is observed that the center of mass is colorless with respect to the SU(N) sector of the background. Using the path integral method, the perturbation theory for the interaction between the bound state and the RR background is developed. Qualitative considerations show that the possibility of the existence of a map between the world-line theory and the non-Abelian gauge theory is very considerable

  1. Relativistic description of quark-antiquark bound states. Spin-independent treatment

    International Nuclear Information System (INIS)

    Gara, A.; Durand, B.; Durand, L.; Nickisch, L.J.

    1989-01-01

    We present the results of a detailed study of light- and heavy-quark--antiquark bound states in the context of the reduced Bethe-Salpeter equation with static vector and scalar interactions. In the present paper, we consider the spin-averaged spectra. Spin effects are considered in a separate paper. We find that this approach, although apparently successful for the heavy-quark b bar b and c bar c states, fails for the s bar s, l bar l, and light-heavy states. The reasons for the failure are intrinsic to the method, as we discuss. Difficulties are already evident for the c bar c states

  2. 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.

  3. Quantum Bocce: Magnon–magnon collisions between propagating and bound states in 1D spin chains

    International Nuclear Information System (INIS)

    Longo, Paolo; Greentree, Andrew D.; Busch, Kurt; Cole, Jared H.

    2013-01-01

    The dynamics of two magnons in a Heisenberg spin chain under the influence of a non-uniform magnetic field is investigated by means of a numerical wave-function-based approach using a Holstein–Primakoff transformation. The magnetic field is localized in space such that it supports exactly one single-particle bound state. We study the interaction of this bound mode with an incoming spin wave and the interplay between transmittance, energy and momentum matching. We find analytic criteria for maximizing the interconversion between propagating single-magnon modes and true propagating two-magnon states. The manipulation of bound and propagating magnons is an essential step towards quantum magnonics.

  4. K-shell excitation studied for H- and He-like bismuth ions in collisions with low-z target atoms

    International Nuclear Information System (INIS)

    Stoehlker, T.; Bosch, F.; Geissel, H.; Kozhuharov, C.; Ludziejewski, T.; Mokler, P.H.; Scheidenberger, C.; Stachura, Z.; Warczak, A.

    1997-09-01

    The formation of excited projectile states via Coulomb excitation is investigated for hydrogen- and helium-like bismuth projectiles (Z=83) in relativistic ion-atom collisions. The excitation process was unambiguously identified by observing the radiative decay of the excited levels to the vacant 1s shell in coincidence with ions that did not undergo charge exchange in the reaction target. In particular, owing to the large fine structure splitting of Bi, the excitation cross-sections to the various L-shell sublevels are determined separately. The results are compared with detailed relativistic calculations, showing that both the relativistic character of the bound-state wave-functions and the magnetic interaction are of considerable importance for the K-shell excitation process in high-Z ions like Bi. The experimental data confirm the result of the complete relativistic calculations, namely that the magnetic part of the Lienard-Wiechert interaction leads to a significant reduction of the K-shell excitation cross-section. (orig.)

  5. Luminescent materials: probing the excited state of emission centers by spectroscopic methods

    International Nuclear Information System (INIS)

    Mihóková, E; Nikl, M

    2015-01-01

    We review recent methods employed to study the excited state of rare-earth centers in various luminescent and scintillating materials. The focus is on processes that help determine localization of the excited state within the material band gap, namely photoionization and thermally stimulated ionization. Then the tunneling process between the luminescence center and the trapping state is addressed. We describe the experimental implementation of methods recently developed to study these processes. We report theoretical models helping the data interpretation. We also present application to currently investigated materials. (topical review)

  6. Strong Wilson polygons from the lodge of free and bound mesons

    Energy Technology Data Exchange (ETDEWEB)

    Bonini, Alfredo; Fioravanti, Davide [Sezione INFN di Bologna, Dipartimento di Fisica e Astronomia, Università di Bologna,Via Irnerio 46, 40126 Bologna (Italy); Piscaglia, Simone [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy); Rossi, Marco [Dipartimento di Fisica dell’Università della Calabria and INFN, Gruppo collegato di Cosenza,Arcavacata di Rende, 87036 Cosenza (Italy)

    2016-04-05

    Previously predicted by the S-matrix bootstrap of the excitations over the GKP quantum vacuum, the appearance of a new particle at strong coupling — formed by one fermion and one anti-fermion — is here confirmed: this two-dimensional meson shows up, along with its infinite tower of bound states, while analysing the fermionic contributions to the Operator Product Expansion (collinear regime) of the Wilson null polygon loop. Moreover, its existence, free and bound, turns out to be a powerful idea in re-summing all the contributions (at large coupling) for a general n-gon (n≥6) to a Thermodynamic Bethe Ansatz, which is proven to be equivalent to the known one and suggests new structures for a special Y-system.

  7. Bound-state perturbation theory and annihilation effects in positronium

    International Nuclear Information System (INIS)

    Abbasabadi, A.; Repko, W.W.

    1987-01-01

    Working in Coulomb gauge and using the lowest-order equation proposed by Barbieri and Remiddi it is calculated, in the one-loop order of perturbation theory, the decay rate and the energy shift of the ground states of parapositronium and orthopositronium, respectively. Our result for the decay rate agrees with that of Harris and Brown. For contribution of one-photon-annihilation channel to the energy shift, it is confirmed the result of Karplus and Klein. These results are derived completely within the bound-state formalism and avoid the necessity of performing on-mass-shell wave function and vertex renormalization subtractions

  8. Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions.

    Science.gov (United States)

    Li, Zhendong; Liu, Wenjian

    2016-01-12

    A benchmark set of 11 small radicals is set up to assess the performance of time-dependent density functional theory (TD-DFT) for the excited states of open-shell systems. Both the unrestricted (U-TD-DFT) and spin-adapted (X-TD-DFT) formulations of TD-DFT are considered. For comparison, the well-established EOM-CCSD (equation-of-motion coupled-cluster with singles and doubles) is also used. In total, 111 low-lying singly excited doublet states are accessed by all the three approaches. Taking the MRCISD+Q (multireference configuration interaction with singles and doubles plus the Davidson correction) results as the benchmark, it is found that both U-TD-DFT and EOM-CCSD perform well for those states dominated by singlet-coupled single excitations (SCSE) from closed-shell to open-shell, open-shell to vacant-shell, or closed-shell to vacant-shell orbitals. However, for those states dominated by triplet-coupled single excitations (TCSE) from closed-shell to vacant-shell orbitals, both U-TD-DFT and EOM-CCSD fail miserably due to severe spin contaminations. In contrast, X-TD-DFT provides balanced descriptions of both SCSE and TCSE. As far as the functional dependence is concerned, it is found that, when the Hartree-Fock ground state does not suffer from the instability problem, both global hybrid (GH) and range-separated hybrid (RSH) functionals perform grossly better than pure density functionals, especially for Rydberg and charge-transfer excitations. However, if the Hartree-Fock ground state is instable or nearly instable, GH and RSH tend to underestimate severely the excitation energies. The SAOP (statistically averaging of model orbital potentials) performs more uniformly than any other density functionals, although it generally overestimates the excitation energies of valence excitations. Not surprisingly, both EOM-CCSD and adiabatic TD-DFT are incapable of describing excited states with substantial double excitation characters.

  9. Studies of the fluorescent excited state of impurities in ionic crystals

    International Nuclear Information System (INIS)

    Romestain, Robert

    1972-01-01

    The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO

  10. Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

    International Nuclear Information System (INIS)

    Shrestha, Utsab R.; Bhowmik, Debsindhu; Van Delinder, Kurt W.; Mamontov, Eugene; O’Neill, Hugh

    2017-01-01

    Here, we elucidate the protein activity from the perspective of protein softness and flexibility by studying the collective phonon-like excitations in a globular protein, human serum albumin (HSA), and taking advantage of the state-of-the-art inelastic X-ray scattering (IXS) technique. Such excitations demonstrate that the protein becomes softer upon thermal denaturation due to disruption of weak noncovalent bonds. On the other hand, no significant change in the local excitations is detected in ligand- (drugs) bound HSA compared to the ligand-free HSA. These results clearly suggest that the protein conformational flexibility and rigidity are balanced by the native protein structure for biological activity.

  11. Collective Excitations in Protein as a Measure of Balance Between its Softness and Rigidity

    Energy Technology Data Exchange (ETDEWEB)

    Shrestha, Utsab R. [Wayne State Univ., Detroit, MI (United States). Dept. of Physics and Astronomy; Bhowmik, Debsindhu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Science and Engineering Division; Van Delinder, Kurt W. [Wayne State Univ., Detroit, MI (United States). Dept. of Physics and Astronomy; Mamontov, Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division; O’Neill, Hugh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division; Zhang, Qiu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division; Alatas, Ahmet [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source; Chu, Xiang-Qiang [Wayne State Univ., Detroit, MI (United States). Dept. of Physics and Astronomy

    2017-01-12

    Here, we elucidate the protein activity from the perspective of protein softness and flexibility by studying the collective phonon-like excitations in a globular protein, human serum albumin (HSA), and taking advantage of the state-of-the-art inelastic X-ray scattering (IXS) technique. Such excitations demonstrate that the protein becomes softer upon thermal denaturation due to disruption of weak noncovalent bonds. On the other hand, no significant change in the local excitations is detected in ligand- (drugs) bound HSA compared to the ligand-free HSA. These results clearly suggest that the protein conformational flexibility and rigidity are balanced by the native protein structure for biological activity.

  12. Pion inelastic scattering to the first three excited states of lithium-6

    International Nuclear Information System (INIS)

    Kiziah, R.R.

    1984-10-01

    Using the Energetic Pion Channel and Spectrometer system at the Clinton P. Anderson Meson Physics Facility, differential cross sections were measured for π + inelastic scattering to the 3 + , T=0, 2.185-MeV, 0 + , T=1, 3.563-MeV, and 2 + , T=0, 4.25-MeV states of 6 Li at incident pion energies of 120 and 180 MeV and laboratory scattering angles between 15 0 and 47 0 . Excitation functions were measured at a constant momentum transfer of approximately 109 MeV/c for incident pion energies from 100 to 260 MeV. The constant momentum transfer corresponds to the maxima of the angular distributions for π + inelastic scattering to the 3.563-MeV level. Microscopic calculations using the distorted-wave impulse approximation (DWIA) agree well with the measured angular distributions and excitation functions for the 2.185- and 4.25-MeV levels. However, microscopic DWIA calculations do not adequately reproduce the measured angular distributions for the 3.563-MeV level and fail to reproduce the observed anomalous excitation function. The shape of the 3.563-MeV excitation function is similar to that previously observed for π +- inelastic scattering to the 1 + , T=1, 15.11-MeV state of 12 C. The same mechanism may be responsible for the observed excitation functions of both ΔS=ΔT=1 transitions. A possible mechanism is the direct excitation of Δ particle-nucleon hole (Δ-h) components in the final state wave functions. Within the Δ-h model interpretation, the peak of the 3.563-MeV excitation function is reproduced with an estimated probability amplitude for the Δ-h component of the 3.563-MeV state with respect to the ground state of 0.01 less than or equal to β less than or equal to 0.13, a range of values of β consistent with the range estimated for the 15.11-MeV level of 12 C (0.026 less than or equal to β less than or equal to 0.096)

  13. Another comment on 'relativistic description of quark-antiquark bound states'

    International Nuclear Information System (INIS)

    Lucha, W.; Rupprecht, H.; Schoeberl, F.F.

    1991-04-01

    We point out some ambiguities in the treatment of fermion-antifermion bound states by solving the reduced Salpeter equation in coordinate space. Our observations allow to cast some doubt on the validity of the conclusion of Gara et al. that moving from a nonrelativistic to a relativistic description makes things worse. (authors)

  14. Entanglement negativity bounds for fermionic Gaussian states

    Science.gov (United States)

    Eisert, Jens; Eisler, Viktor; Zimborás, Zoltán

    2018-04-01

    The entanglement negativity is a versatile measure of entanglement that has numerous applications in quantum information and in condensed matter theory. It can not only efficiently be computed in the Hilbert space dimension, but for noninteracting bosonic systems, one can compute the negativity efficiently in the number of modes. However, such an efficient computation does not carry over to the fermionic realm, the ultimate reason for this being that the partial transpose of a fermionic Gaussian state is no longer Gaussian. To provide a remedy for this state of affairs, in this work, we introduce efficiently computable and rigorous upper and lower bounds to the negativity, making use of techniques of semidefinite programming, building upon the Lagrangian formulation of fermionic linear optics, and exploiting suitable products of Gaussian operators. We discuss examples in quantum many-body theory and hint at applications in the study of topological properties at finite temperature.

  15. Ab initio calculation on the low-lying excited states of Si2+ cation including spin–orbit coupling

    International Nuclear Information System (INIS)

    Liu, Yanlei; Zhai, Hongsheng; Zhang, Xiaomei; Liu, Yufang

    2013-01-01

    Highlights: • 24 Λ–S states are correlated to the dissociation limit of Si( 3 P g ) + Si + ( 2 P u ) are first reported. • The dissociation energies of the calculated electronic states are predicted in our work. • It is first time that the entire 54 Ω states generated from the 24 Λ–S states have been studied. • PECs of Λ–S and Ω states are depicted with the aid of avoided crossing rule between the same symmetry. - Abstract: Ab initio all-electron relativistic calculations of the low-lying excited states of Si 2 + have been performed at MRCI+Q/AVQZ level. The calculated electronic states, including 12 doublet and 12 quartet Λ–S states, are correlated to the dissociation limit of Si( 3 P g ) + Si + ( 2 P u ). Spin–orbit interaction is taken into account via the state interaction approach with the full Breit-Pauli Hamiltonian, which causes the entire 24 Λ–S states to split into 54 Ω states. This is the first time that spin–orbit coupling (SOC) calculation has been performed on Si 2 + . The obtained potential energy curves (PECs) of Λ–S and Ω states are respectively depicted with the aid of the avoided crossing rule between the same symmetry. The spectroscopic constants of the bound Λ–S and Ω states are determined, and excellent agreements with the latest theoretical results are achieved

  16. 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...

  17. A nonlinear programming approach to lower bounds for the ground-state energy of helium

    International Nuclear Information System (INIS)

    Porras, I.; Feldmann, D.M.; King, F.W.

    1999-01-01

    Lower-bound estimates for the ground-state energy of the helium atom are determined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlated wave functions. The local nature of the method employed makes it a very severe test of the accuracy of the wave function

  18. Measurements of photoionization cross sections from the 4p, 5d and 7s excited states of potassium

    International Nuclear Information System (INIS)

    Amin, Nasir; Mahmood, S.; Haq, S.U.; Kalyar, M.A.; Rafiq, M.; Baig, M.A.

    2008-01-01

    New measurements of the photoionization cross sections from the 4p 2 P 1/2,3/2 , 5d 2 D 5/2,3/2 and 7s 2 S 1/2 excited states of potassium are presented. The cross sections have been measured by two-step excitation and ionization using a Nd:YAG laser in conjunction with a thermionic diode ion detector. By applying the saturation technique, the absolute values of the cross sections from the 4p 2 P 3/2 and 4p 2 P 1/2 states at 355 nm are determined as 7.2±1.1 and 5.6±0.8 Mb, respectively. The photoionization cross section from the 5d 2 D 5/2,3/2 excited state has been measured using two excitation paths, two-step excitation and two-photon excitation from the ground state. The measured values of the cross sections from the 5d 2 D 5/2 state by two-photon excitation from the ground state is 28.9±4.3 Mb, whereas in the two-step excitation, the cross section from the 5d 2 D 3/2 state via the 4p 2 P 1/2 state and from the 5d 2 D 5/2,3/2 states via the 4p 2 P 3/2 state are determined as 25.1±3.8 and 30.2±4.5 Mb, respectively. Besides, we have measured the photoionization cross sections from the 7s 2 S 1/2 excited state using the two-photon excitation from the ground state as 0.61±0.09 Mb

  19. Pulsed laser study of excited states of aromatic molecules absorbed in globular proteins

    International Nuclear Information System (INIS)

    Cooper, M.; Thomas, J.K.

    1977-01-01

    Pyrene and several derivatives of pyrene such as pyrene sulfonic acid, and pyrene butyric acid were incorporated into bovine serum albumin (BSA) in aqueous solution. The pyrene chromophore was subsequently excited by a pulse of uv light (lambda = 3471 A) from a Q switched frequency doubled ruby laser. The lifetime of the pyrene excited singlet and triplet states were monitored by time resolved spectrophotometry. Various molecules, such as O 2 and I - , dissolved in the aqueous phase, diffused into the protein and quenched pyrene excited states. The rates of these reactions were followed under a variety of conditions such as pH and temperature and in the presence of inert additives. The rates of pyrene excited-state quenching were often considerably smaller than the rates observed in simple solutions. A comparison of the rates in the protein and homogeneous solutions gives information on the factors such as temperature, charge, and pH that control the movement of small molecules in and into BSA

  20. Excited states of ethylene interpreted in terms of perturbed Rydberg series

    International Nuclear Information System (INIS)

    Yamamoto, Shigeyoshi; Tatewaki, Hiroshi

    2003-01-01

    We have investigated the excited states of the ethylene molecule by the multireference configuration interaction (MRCI) method. In particular, the nature of the V state (1 1 B 1u π→π*) was interpreted in terms of perturbed Rydberg series. To clarify the role of the perturbers, we use pseudo-restricted Hartree-Fock natural orbitals (PRHFNO), which would be the most suitable molecular orbital set to describe Rydberg series. It is well known that the expectation value of x 2 for the V state is reduced from 44a 0 2 (RHF) to around 17a 0 2 by considering electron correlation effects, where x is the direction out of the molecular plane. In the present study, a reasonable 2 > value was obtained from small multireference configuration interaction with single excitations (MRCIS), where the π→π* configurations and a few perturbers were assigned as the reference configurations. The major perturbers were found to be five configurations represented by 3a g → 3b 1u , 1b 3g → 3b 2u , 2b 1u → 4a g , 2a g → 3b 1u , and 1b 2u → 2b 3g with respect to the ground state configuration. The V state can therefore be described as a scattering process of the π→π* state by these perturbers. Other low-lying excited states are also investigated by the MRCI method

  1. EPR studies of excited state exchange and crystal-field effects in rare earth compounds

    International Nuclear Information System (INIS)

    Huang, C.Y.; Sugawara, K.; Cooper, B.R.

    1976-01-01

    EPR in excited crystal-field states of Tm 3+ , Pr 3+ , and Tb 3+ in singlet-ground-state systems and in the excited state of Ce 3+ in CeP are reviewed. Because one is looking at a crystal-field excited state resonance, the exchange, even if isotropic, does not act as a secular perturbation. This means that one obtains different effects and has access to more information about the dynamic effects of exchange than in conventional paramagnetic resonance experiments. The Tm and Pr monopnictides studied are paramagnetic at all temperatures. The most striking feature of the behavior of the GAMMA 5 /sup (2)/ EPR in the Tm compounds is the presence of an anomalous maximum in the temperature dependence of the g-factor. The relationship of this effect to anisotropic exchange is discussed. The results of the EPR of the excited GAMMA 5 /sup (2)/ level of Tb 3 + (g-factor becomes very large at T/sub N/ in antiferromagnetic TbX (X = P, As, Sb) and that of the excited GAMMA 8 level of Ce 3+ in antiferromagnetic CeP will also be reported. For sufficient dilution of the Tb 3+ in the terbium monopnictides, the systems become paramagnetic (Van Vleck paramagnets) down to 0 0 K. The Tb 3+ excited state resonance EPR in Tb/sub 0.1/ La/sub 0.9/P was studied as an example of behavior in such systems. 10 fig

  2. Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation.

    Science.gov (United States)

    Zeng, Qiao; Liang, WanZhen

    2015-10-07

    The time-dependent density functional theory (TDDFT) has become the most popular method to calculate the electronic excitation energies, describe the excited-state properties, and perform the excited-state geometric optimization of medium and large-size molecules due to the implementation of analytic excited-state energy gradient and Hessian in many electronic structure software packages. To describe the molecules in condensed phase, one usually adopts the computationally efficient hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) models. Here, we extend our previous work on the energy gradient of TDDFT/MM excited state to account for the mutual polarization effects between QM and MM regions, which is believed to hold a crucial position in the potential energy surface of molecular systems when the photoexcitation-induced charge rearrangement in the QM region is drastic. The implementation of a simple polarizable TDDFT/MM (TDDFT/MMpol) model in Q-Chem/CHARMM interface with both the linear response and the state-specific features has been realized. Several benchmark tests and preliminary applications are exhibited to confirm our implementation and assess the effects of different treatment of environmental polarization on the excited-state properties, and the efficiency of parallel implementation is demonstrated as well.

  3. Electronically excited and ionized states in condensed phase: Theory and applications

    Science.gov (United States)

    Sadybekov, Arman

    Predictive modeling of chemical processes in silico is a goal of XXI century. While robust and accurate methods exist for ground-state properties, reliable methods for excited states are still lacking and require further development. Electronically exited states are formed by interactions of matter with light and are responsible for key processes in solar energy harvesting, vision, artificial sensors, and photovoltaic applications. The greatest challenge to overcome on our way to a quantitative description of light-induced processes is accurate inclusion of the effect of the environment on excited states. All above mentioned processes occur in solution or solid state. Yet, there are few methodologies to study excited states in condensed phase. Application of highly accurate and robust methods, such as equation-of-motion coupled-cluster theory EOM-CC, is limited by a high computational cost and scaling precluding full quantum mechanical treatment of the entire system. In this thesis we present successful application of the EOM-CC family of methods to studies of excited states in liquid phase and build hierarchy of models for inclusion of the solvent effects. In the first part of the thesis we show that a simple gasphase model is sufficient to quantitatively analyze excited states in liquid benzene, while the latter part emphasizes the importance of explicit treatment of the solvent molecules in the case of glycine in water solution. In chapter 2, we use a simple dimer model to describe exciton formation in liquid and solid benzene. We show that sampling of dimer structures extracted from the liquid benzene is sufficient to correctly predict exited-state properties of the liquid. Our calculations explain experimentally observed features, which helped to understand the mechanism of the excimer formation in liquid benzene. Furthermore, we shed light on the difference between dimer configurations in the first solvation shell of liquid benzene and in unit cell of solid

  4. Lifetime measurements of excited states in 73As

    International Nuclear Information System (INIS)

    Singh, K.P.; Kavakand, T.; Hajivaliei, M.

    2004-01-01

    The excited states of 73 As have been investigated via the 73 Ge(p, nγ) 73 As reaction with proton beam energies from 2.5–4.3 MeV. The lifetimes of the levels at 769.6, 860.5, 1177.8, 1188.7, 1274.9, 1344.1, 1557.1 and 1975.2 keV excitation energies have been measured for the first time using the Doppler shift attenuation method. The angular distributions have been used to assign the spins and the multipole mixing ratios using statistical theory for compound nuclear reactions. The ambiguity in the spin values for the various levels has been removed. The multipole mixing ratios for eight γ-transitions have been newly measured. (author)

  5. Determinable solutions for one-dimensional quantum potentials: scattering, quasi-bound and bound-state problems

    International Nuclear Information System (INIS)

    Lee, Hwasung; Lee, Y J

    2007-01-01

    We derive analytic expressions of the recursive solutions to Schroedinger's equation by means of a cutoff-potential technique for one-dimensional piecewise-constant potentials. These solutions provide a method for accurately determining the transmission probabilities as well as the wavefunction in both classically accessible regions and inaccessible regions for any barrier potentials. It is also shown that the energy eigenvalues and the wavefunctions of bound states can be obtained for potential-well structures by exploiting this method. Calculational results of illustrative examples are shown in order to verify this method for treating barrier and potential-well problems

  6. Bound states and Cooper pairs of molecules in 2D optical lattices bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Camacho-Guardian, A.; Dominguez-Castro, G.A.; Paredes, R. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico (Mexico)

    2016-08-15

    We investigate the formation of Cooper pairs, bound dimers and the dimer-dimer elastic scattering of ultracold dipolar Fermi molecules confined in a 2D optical lattice bilayer configuration. While the energy and their associated bound states are determined in a variational way, the correlated two-molecule pair is addressed as in the original Cooper formulation. We demonstrate that the 2D lattice confinement favors the formation of zero center mass momentum bound states. Regarding the Cooper pairs binding energy, this depends on the molecule populations in each layer. Maximum binding energies occur for non-zero (zero) pair momentum when the Fermi system is polarized (unpolarized). We find an analytic expression for the dimer-dimer effective interaction in the deep BEC regime. The present analysis represents a route for addressing the BCS-BEC crossover in dipolar Fermi gases confined in 2D optical lattices within the current experimental panorama. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Bound states in the (2+1)D scalar electrodynamics with Chern-Simons term

    International Nuclear Information System (INIS)

    Gomes, M.O.C.; Malacarne, L.C.

    1994-01-01

    This work studies the existence of bound states for the 3-dimensions scalar electrodynamics, with the Chern-Simons. Quantum field theory is used for calculation of the M fi scattering matrices, in the non-relativistic approximation. The field propagators responsible for the interaction in the scattering processes have been calculated, and scattering matrices have been constructed. After obtaining the scattering matrix, the cross section in the quantum field theory has been compared with the quantum mechanic cross section in the Born approximation, allowing to obtain the form of the potential responsible for the interactions in the scattering processes. The possibility of bound states are analyzed by using the Schroedinger equation

  8. Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search

    Science.gov (United States)

    Liang, Wenkel; Isborn, Christine M.; Li, Xiaosong

    2009-11-01

    The calculation of doubly excited states is one of the major problems plaguing the modern day excited state workhorse methodology of linear response time dependent Hartree-Fock (TDHF) and density function theory (TDDFT). We have previously shown that the use of a resonantly tuned field within real-time TDHF and TDDFT is able to simultaneously excite both the α and β electrons to achieve the two-electron excited states of minimal basis H2 and HeH+ [C. M. Isborn and X. Li, J. Chem. Phys. 129, 204107 (2008)]. We now extend this method to many electron systems with the use of our Car-Parrinello density matrix search (CP-DMS) with a first-principles fictitious mass method for wave function optimization [X. Li, C. L. Moss, W. Liang, and Y. Feng, J. Chem. Phys. 130, 234115 (2009)]. Real-time TDHF/TDDFT is used during the application of the laser field perturbation, driving the electron density toward the doubly excited state. The CP-DMS method then converges the density to the nearest stationary state. We present these stationary state doubly excited state energies and properties at the HF and DFT levels for H2, HeH+, lithium hydride, ethylene, and butadiene.

  9. 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.

  10. Structure of the excited states of 11Be reached through the reaction d(10Be,p)11Be

    International Nuclear Information System (INIS)

    Delaunay, F.

    2003-10-01

    The one-neutron transfer reaction d( 10 Be,p) 11 Be has been studied at 32 A.MeV at GANIL with a 10 Be secondary beam. Protons were detected by the silicon strip array MUST. The ground state and excited states of 11 Be at 0.32, 1.78 and 3.41 MeV were populated, demonstrating the feasibility of transfer reactions induced by radioactive beams leading to bound and unbound states. A DWBA (distorted wave born approximation) analysis indicates for the 3.41 MeV state spin and parity 3/2 + or 5/2 + and a spectroscopic factor of 0.18 or 0.11, respectively. A broad structure centered at 10 MeV is also observed and corresponds to transfer to the 1d sub-shells. If one assumes that only the 1d3/2 orbital contributes to this structure, the splitting of the 1d neutron states in 11 Be is estimated to be 6.3 MeV. Using a 2-particle-RPA (random phase approximation) model, we have shown that neutron-neutron correlations play an important role in the inversion between the 2s1/2 and 1p1/2 neutron states in 11 Be. (author)

  11. 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.)

  12. Morse potential, symmetric Morse potential and bracketed bound-state energies

    Czech Academy of Sciences Publication Activity Database

    Znojil, Miloslav

    2016-01-01

    Roč. 31, č. 14 (2016), s. 1650088 ISSN 0217-7323 R&D Projects: GA ČR GA16-22945S Institutional support: RVO:61389005 Keywords : quantum bound states * special functions * Morse potential * symmetrized Morse potential * upper and lower energy estimates * computer-assisted symbolic manipulations Subject RIV: BE - Theoretical Physics Impact factor: 1.165, year: 2016

  13. An excited-state approach within full configuration interaction quantum Monte Carlo

    International Nuclear Information System (INIS)

    Blunt, N. S.; Smart, Simon D.; Booth, George H.; Alavi, Ali

    2015-01-01

    We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distributions of walkers, to orthogonalize higher energy states against lower energy ones. It can thus be used to study several of the lowest-energy states of a system within the same symmetry. This additional step is particularly simple and computationally inexpensive, requiring only a small change to the underlying FCIQMC algorithm. No trial wave functions or partitioning of the space is needed. The approach should allow excited states to be studied for systems similar to those accessible to the ground-state method due to a comparable computational cost. As a first application, we consider the carbon dimer in basis sets up to quadruple-zeta quality and compare to existing results where available

  14. Lifetime measurements of the excited states in {sup 145} Sm

    Energy Technology Data Exchange (ETDEWEB)

    El-Badry, A M; Abdel Samie, Sh; Ahmad, A A [Depatment of Physics, Faculty of Science, ElMinia University, ElMinia, (Egypt); Kuroyanagi, T; Odahara, A; Gono, Y; Morinobu, S [Tandem Accelerator Laboratory, Department of Physics, Kyushu University, (Japan)

    1997-12-31

    Lifetime of the excited levels in {sup 145} Sm has been measured through the {sup 139} La ({sup 10} B, 4 n){sup 145} Sm nuclear reaction. The optimal beam energy of 49 MeV was determined from the measurements of the excitation function and Cascade program. With the possibility of studying lifetime of this nucleus a conventional plunger system have been designed and constructed at kyushu University tandem accelerator laboratory. A La target of 0.22 mg/cm{sup 2} thickness which was evaporated onto a Au foil of 2 mg/cm{sup 2} thickness was used. Since the recoil velocity was estimated to be 1.76 mm/ns (beta 0.00585), the measurable time range resulted in the range from 5 Ps to 5 ns. The single spectra measurements were performed at the 20 plunger positions in the range from 10 {mu} to 10 mm. Analyses of the data were carried using hypermet and/or GF2 program to obtain the lifetimes. A new list of lifetimes for 12 excited states up to 3.922 MeV excitations for {sup 145} Sm were determined for the first time. Decay curves of the these transitions are discussed. The new lifetimes of excited states in {sup 145} Sm enabled us to understand the electromagnetic properties. The deduced transition probabilities were established and compared with that of N = 83 isotones and the closed shell nucleus {sup 144} Sm. In addition, a nuclear structure of {sup 145} Sm have been discussed and proposed in framework of the shell model. 4 figs., 1 tab.

  15. Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT

    International Nuclear Information System (INIS)

    Berardo, Enrico; Hu, Han-Shi; Van Dam, Hubertus J. J.; Shevlin, Stephen A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.

    2014-01-01

    We have investigated the description of excited state relaxation in naked and hydrated TiO 2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to be the inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. In conclusion, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO 2 nanoparticles is predicted to be associated with a large Stokes' shift

  16. Meson bound states and inclusive hardon scattering in quantum chromodynamics

    International Nuclear Information System (INIS)

    Beavis, D.R.

    1980-01-01

    In the first part we study the charmonium and UPSILON systems with a simple Coulomb plus linear potential. The parameters of the potential are determined by the charmonium states other than 1 S 0 states. We successfully predict that the states X(2830) and x(3450) are not the 1 S 0 partners of J/psi and psi'. The same effective potential also gives a good description of the UPSILON system. The Lorentz nature of the confinement potential is determined to be an equal mixture of vector and scalar. In the second part we extend a method for obtaining bound states and wavefunctions for relativistic confined systems. The important aspect of this treatment is the input of the asymptotic expansion of the two-point functions. We test the bound state approximation for a system defined by an equivalent potential V(r) = lambda 2 tanh 2 (g 2 r/lambda). Excellent results are obtained, even though a threshold is present. Finally, in the third section, we analyze the 100 GeV/c π - p→π 0 X data of Barnes et al. for moderate t, 1.5 less than or equal to -t less than or equal to 4.0 (GeV/c) 2 with the constituent scattering models. We obtain very good agreement in normalization and the x and t behavior of dsigma/dtdx using the FF1 model. The analysis of π - p→etaX gives additional support to this interpretation. The predictions of perturbative QCD and FF1 for π - p→π 0 X are given

  17. Excited-State Dynamics of Oxyluciferin in Firefly Luciferase

    KAUST Repository

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

    2016-01-01

    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.

  18. 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.

  19. QCD bound states at finite temperature and baryon number

    International Nuclear Information System (INIS)

    Kalinovsky, Yu.L.; Muenchow, L.

    1991-04-01

    Quark-antiquark bound states are described within the Bethe-Salpeter equation for a class of quark models with instantaneous 4-quark interaction at finite temperature. Thereby decompositions of the Bethe-Salpeter vertex and wave functions according to their Lorentz structures and the particles content are used. As an application of general scheme, we determine the mass spectrum of low-lying mesons for a special Nambu-Jona-Lasinio model inspired by QCD for hadrons. (orig.)

  20. 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.

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

    KAUST Repository

    Cekli, Seda; Winkel, Russell W.; Alarousu, Erkki; Mohammed, Omar F.; Schanze, Kirk S.

    2016-01-01

    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.

  2. 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.

  3. Quantification of entanglement entropies for doubly excited resonance states in two-electron atomic systems

    International Nuclear Information System (INIS)

    Ho, Yew Kam; Lin, Chien-Hao

    2015-01-01

    In this work, we study the quantum entanglement for doubly excited resonance states in two-electron atomic systems such as the H - and Ps - ions and the He atom by using highly correlated Hylleraas type functions The resonance states are determined by calculation of density of resonance states with the stabilization method. The spatial (electron-electron orbital) entanglement entropies (linear and von Neumann) for the low-lying doubly excited states are quantified using the Schmidt-Slater decomposition method. (paper)

  4. Excited states above the proton threshold in {sup 26}Si

    Energy Technology Data Exchange (ETDEWEB)

    Komatsubara, T. [Institute for Basic Science (IBS), Rare Isotope Science Project, Yuseong-gu Daejeon (Korea, Republic of); Kubono, S.; Ito, Y. [RIKEN, Saitama (Japan); Hayakawa, T.; Shizuma, T. [Japan Atomic Energy Agency, Tokai, Ibaraki (Japan); Ozawa, A.; Ishibashi, Y. [University of Tsukuba, Institute of Physics, Tsukuba, Ibaraki (Japan); Moriguchi, T. [National Cerebral and Cardiovascular Center Research Institute, Suita, Osaka (Japan); Yamaguchi, H.; Kahl, D. [University of Tokyo, Wako Branch, Center for Nuclear Study (CNS), Wako, Saitama (Japan); Hayakawa, S. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Nguyen Binh, Dam [Vietnamese Academy for Science and Technology, Institute of Physics, Hanoi (Viet Nam); Chen, A.A.; Chen, J. [McMaster University, Hamilton, Ontario (Canada); Setoodehnia, K. [University of Notre Dame, Department of Physics, Notre Dame, Indiana (United States); Kajino, T. [National Astronomical Observatory, Tokyo (Japan); University of Tokyo, Department of Astronomy, Graduate School of Science, Tokyo (Japan)

    2014-09-15

    The level scheme above the proton threshold in {sup 26}Si is crucial for evaluating the {sup 25}Al(p, γ){sup 26}Si stellar reaction, which is important for understanding the astrophysical origin of the long-lived cosmic radioactivity {sup 26}Al(T{sub 1/2} = 7.17 x 10{sup 5} y) in the Galaxy. The excited states in {sup 26}Si have been studied using an in-beam γ-ray spectroscopy technique with the {sup 24}Mg({sup 3}He, nγ){sup 26}Si reaction. γ-rays with energies up to 4.6 MeV emitted from excited states in {sup 26}Si have been measured using large volume HPGe detectors. The spin-parity of one of the most important states reported recently at 5890.0keV has been assigned as 0{sup +} by γ-γ angular correlation measurements in this work. (orig.)

  5. Covariant equations for the three-body bound state

    International Nuclear Information System (INIS)

    Stadler, A.; Gross, F.; Frank, M.

    1997-01-01

    The covariant spectator (or Gross) equations for the bound state of three identical spin 1/2 particles, in which two of the three interacting particles are always on shell, are developed and reduced to a form suitable for numerical solution. The equations are first written in operator form and compared to the Bethe-Salpeter equation, then expanded into plane wave momentum states, and finally expanded into partial waves using the three-body helicity formalism first introduced by Wick. In order to solve the equations, the two-body scattering amplitudes must be boosted from the overall three-body rest frame to their individual two-body rest frames, and all effects which arise from these boosts, including Wigner rotations and p-spin decomposition of the shell-particle, are treated exactly. In their final form, the equations reduce to a coupled set of Faddeev-like double integral equations with additional channels arising from the negative p-spin states of the off-shell particle

  6. Optical nonlinearity and bistability in the bound exciton energy range of CdS

    International Nuclear Information System (INIS)

    Hoenig, T.; Gutowski, J.

    1988-01-01

    Under high excitation conditions thick CdS samples show pronounced broad-band nonlinear transmission in the bound exciton region and up to a wavelength of about 515 nm at cryo-temperatures. This behavior is only explainable in a model based on impurity neutralization and bound exciton creation. The suitability of these nonlinearities to yield optical bistability will be shown. Bistable operation is investigated in dependence of crystal thickness, impurity concentration, excitation density, wavelength, and temperature. A strong correlation to acceptor-bound exciton generation is obtained, and the explanation of this bistable operation fits well with that of the above mentioned transmission behavior. (author)

  7. Excited state intramolecular charge transfer reaction in non-aqueous ...

    Indian Academy of Sciences (India)

    polar phase and thus leading to less swelling of reverse .... ues were restricted up to the limit at which no phase separation was ..... The lower panel of figure 1 also indicates that the slopes of ... probe in its ground and excited states.55.

  8. Hunt for the 11P1 bound state of charmonium

    International Nuclear Information System (INIS)

    Porter, F.C.

    1982-02-01

    Using the Crystal Ball detector at SPEAR, we have looked for evidence of the isospin-violating decay psi' → π 01 P 1 , where 1 P 1 is the predicted spin-singlet p-wave bound state of charmonium. For a 1 P 1 state at the predicted mass (approx. 3520 MeV), we obtain the 95% confidence level limits: BR(psi' → π 01 P 1 ) 01 P 1 )BR( 1 P 1 → γn/sub c/ < 0.14%. These limits are compared with simple theoretical predictions

  9. Pressure dependence of excited-state charge-carrier dynamics in organolead tribromide perovskites

    Science.gov (United States)

    Liu, X. C.; Han, J. H.; Zhao, H. F.; Yan, H. C.; Shi, Y.; Jin, M. X.; Liu, C. L.; Ding, D. J.

    2018-05-01

    Excited-state charge-carrier dynamics governs the performance of organometal trihalide perovskites (OTPs) and is strongly influenced by the crystal structure. Characterizing the excited-state charge-carrier dynamics in OTPs under high pressure is imperative for providing crucial insights into structure-property relations. Here, we conduct in situ high-pressure femtosecond transient absorption spectroscopy experiments to study the excited-state carrier dynamics of CH3NH3PbBr3 (MAPbBr3) under hydrostatic pressure. The results indicate that compression is an effective approach to modulate the carrier dynamics of MAPbBr3. Across each pressure-induced phase, carrier relaxation, phonon scattering, and Auger recombination present different pressure-dependent properties under compression. Responsiveness is attributed to the pressure-induced variation in the lattice structure, which also changes the electronic band structure. Specifically, simultaneous prolongation of carrier relaxation and Auger recombination is achieved in the ambient phase, which is very valuable for excess energy harvesting. Our discussion provides clues for optimizing the photovoltaic performance of OTPs.

  10. Deeply quasi-bound state in single- and double-K nuclear clusters

    Energy Technology Data Exchange (ETDEWEB)

    Marri, S.; Kalantari, S.Z. [Isfahan University of Technology, Department of Physics, Isfahan (Iran, Islamic Republic of); Esmaili, J. [Shahrekord University, Department of Physics, Faculty of Basic Sciences, Shahrekord (Iran, Islamic Republic of)

    2016-12-15

    New calculations of the quasi-bound state positions in K{sup -}K{sup -}pp kaonic nuclear cluster are performed using non-relativistic four-body Faddeev-type equations in AGS form. The corresponding separable approximation for the integral kernels in the three- and four-body kaonic clusters is obtained by using the Hilbert-Schmidt expansion procedure. Different phenomenological models of anti KN-πΣ potentials with one- and two-pole structure of Λ(1405) resonance and separable potential models for anti K- anti K and nucleon-nucleon interactions, are used. The dependence of the resulting four-body binding energy on models of anti KN-πΣ interaction is investigated. We obtained the binding energy of the K{sup -}K{sup -}pp quasi-bound state ∝ 80-94 MeV with the phenomenological anti KN potentials. The width is about ∝ 5-8 MeV for the two-pole models of the interaction, while the one-pole potentials give ∝ 24-31 MeV width. (orig.)

  11. Relativistic actions for bound-states and applications in the meson spectroscopy

    International Nuclear Information System (INIS)

    Silva Carvalho, Hendly da.

    1991-08-01

    We study relativistic equations for bound states of two-body systems using Dirac's constraint formalism and supersymmetry. The two-body system can be of spinless particles, one of them spinning and the other one spinless, or both of them spinning. The interaction is described by scalar, timelike four-vector and spacelike four-vector potentials under Lorentz transformations. As an application we use the relativistic wave equation for two scalar particles and calculate the mass spectra of the mesons treating them as spinless quark-antiquark bound states. The interaction potential in this case is a convenient adaptation of the potential employed in non-relativistic calculations. Finally, we compare our results with more recent experimental data and with theoretical results obtained with the same potential used by us but with a non-relativistic wave equation. We also compare our results with results obtained with the relativistic wave equation but with a different interaction potential. (author). 38 refs, 9 figs, 8 tabs

  12. Structure of the nucleon's low-lying excitations

    Science.gov (United States)

    Chen, Chen; El-Bennich, Bruno; Roberts, Craig D.; Schmidt, Sebastian M.; Segovia, Jorge; Wan, Shaolong

    2018-02-01

    A continuum approach to the three valence-quark bound-state problem in quantum field theory is used to perform a comparative study of the four lightest (I =1 /2 ,JP=1 /2±) baryon isospin doublets in order to elucidate their structural similarities and differences. Such analyses predict the presence of nonpointlike, electromagnetically active quark-quark (diquark) correlations within all baryons; and in these doublets, isoscalar-scalar, isovector-pseudovector, isoscalar-pseudoscalar, and vector diquarks can all play a role. In the two lightest (1 /2 ,1 /2+) doublets, however, scalar and pseudovector diquarks are overwhelmingly dominant. The associated rest-frame wave functions are largely S -wave in nature; and the first excited state in this 1 /2+ channel has the appearance of a radial excitation of the ground state. The two lightest (1 /2 ,1 /2-) doublets fit a different picture: accurate estimates of their masses are obtained by retaining only pseudovector diquarks; in their rest frames, the amplitudes describing their dressed-quark cores contain roughly equal fractions of even- and odd-parity diquarks; and the associated wave functions are predominantly P -wave in nature, but possess measurable S -wave components. Moreover, the first excited state in each negative-parity channel has little of the appearance of a radial excitation. In quantum field theory, all differences between positive- and negative-parity channels must owe to chiral symmetry breaking, which is overwhelmingly dynamical in the light-quark sector. Consequently, experiments that can validate the contrasts drawn herein between the structure of the four lightest (1 /2 ,1 /2±) doublets will prove valuable in testing links between emergent mass generation and observable phenomena and, plausibly, thereby revealing dynamical features of confinement.

  13. Excitation of the lowest 1- state in 18O by scattering from 16O

    International Nuclear Information System (INIS)

    Carter, J.; Sellschop, J.P.F.; Clarkson, R.G.; Hnizdo, V.; Osterfeld, F.; Frahn, W.E.; Richter, A.

    1981-01-01

    The 1 - (4.45 MeV) state in 18 O, together with the 2 + (1.98 MeV) and 3 - (5.09 MeV) states, were excited by inelastic scattering from 16 O at E(lab)=35 MeV. In an attempt to understand the 1 - excitation, various macroscopic models, including a ralationship derived recently by Frahn, were considered. However, this excitation was found to be best explained by a microscopic description. A comparison is made with inelastic α-scattering from 18 O [af

  14. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    Science.gov (United States)

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  15. Excitation-energy-dependent resonances in x-ray emissions under near-threshold electron excitation of the Ce 3d and 4d levels

    International Nuclear Information System (INIS)

    Chamberlain, M.B.; Baun, W.L.

    1975-01-01

    Soft x-ray appearance potential spectra of the 3d and 4d levels of polycrystalline cerium metal are reported in this paper. Resonant x-ray emissions are observed when the electron-excitation energy sweeps through the ionization energies of the 3d and 4d levels. The resonant x rays excited at the 3d-level onsets are considerably more intense, and are excited at a lower electron-excitation energy than the 3d-series characteristic x rays. In the neighborhood of the 4d-electron thresholds, four line-like structures extend to approx.8 eV below the 4d-electron binding energies, while two broad and more intense structures occur above the 4d onsets, with the largest one reaching a peak intensity at 12 eV above the 4d thresholds. The resonant emissions apparently arise from the decay of threshold-excited states which are bound to the inner vacancy and have core configurations nd 9 4f 3 , (n=3,4). The exchange interaction between the three 4f electrons and the respective d-orbital vacancy spreads the 4d-threshold structures over a 20 eV range of excitation energies and the 3d-threshold structures over a much smaller range

  16. Analytic continuation of scattering data to the region of negative energies for systems that have one and two bound states

    International Nuclear Information System (INIS)

    Blokhintsev, L. D.; Savin, D. A.

    2016-01-01

    An exactly solvable potential model is used to study the possibility of deducing information about the features of bound states for the system under consideration (binding energies and asymptotic normalization coefficients) on the basis of data on continuum states. The present analysis is based on an analytic approximation and on the subsequent continuation of a partial-wave scattering function from the region of positive energies to the region of negative energies. Cases where the system has one or two bound states are studied. The α+d and α+"1"2C systems are taken as physical examples. In the case of one bound state, the scattering function is a smooth function of energy, and the procedure of its analytic continuation for different polynomial approximations leads to close results, which are nearly coincident with exact values. In the case of two bound states, the scattering function has two poles—one in the region of positive energies and the other in the region of negative energies between the energies corresponding to the two bound states in question. Padéapproximants are used to reproduce these poles. The inclusion of these poles proves to be necessary for correctly describing the properties of the bound states.

  17. The search for deeply bound kaonic states with FOPI

    International Nuclear Information System (INIS)

    Schmid, P.; Buehler, P.; Cargnelli, M.; Marton, J.; Widmann, E.; Zmeskal, J.

    2006-01-01

    Full text: New formation mechanisms for the creation of dense, exotic nuclear systems involving strangeness were recently proposed by Y. Akaishi and T. Yamazaki. Their calculations show that a K - might form deeply bound states in light nuclei - so called kaonic clusters - with central densities of several times the normal nuclear density. In the presentation a short overview of these exotic nuclear systems will be given and a new experiment with FOPI at GSI will be discussed. The aim of this experiment was to search for the simplest cluster - a ppK - state. This state is produced at GSI in the following high energy reaction: p + ''d'' → ppK - + K + + n'' with incident energies of 3.5 GeV. The experimental set-up will be presented in detail. (author)

  18. Precision spectroscopy on hydrogen and deuterium. Test of the bound-state quantum electrodynamics

    International Nuclear Information System (INIS)

    Fendel, P.

    2005-06-01

    An optical measurement of the hyperfine splitting of the 2s state in deuterium performed for the first time and the description of the arrangement for the measurement of the 1s-3s frequency in hydrogen by excitation with a frequency combexpect the reader of this thesis. Both experiments have the goal to test the bound-state quantum electrodynamics (QED) with high precision. The measurement of the hyperfine splitting serves thereby for the improvement of the accuracy of the so called D 21 =8E HFS (2s)-E HFS (1s) difference. Because D 21 is far-reachingly independent on the nuclear structure in spite of not accurately known proton charge radii QED can be tested on a level of 10 -7 . In the framework of the thesis present here the error of this quantity was reduced by a factor of three. The result for the 2s hyperfine splitting is: f D HFS =40924454(7) Hz. By a new kind of the data acquisition furthermore many systematic errors, especially the nonlinear drift of the reference resonator, could be reduced in comparison to a similar measurement on hydrogen. The second part of the thesis describes the efforts which were and will be taken in order to test QED by means of their perdiction of the 1s Lamb shift. For this the frequency of the 1s-3s transition in hydrogen shall be measured absolutely for the first time. A further novum is that for this a frequency-quadrupled mode-coupled laser shall be come into operation. Especially the construction and the stabilization of a ps laser, the construction of two frequency-doubling stages, the arrangement for the measurement of the absolute frequency of the spectroscopy laser, the alteration of the existing 1s-2s vacuum system, and the development of the measurement software is described. Additionally in this thesis the theory of the two-photon frequency-comb spectroscopy is further developed. Concrete expressions for the expected line shape and the influence of the chirp on the excitation rate are presented

  19. Isoelectronic study of triply excited Li-like states

    International Nuclear Information System (INIS)

    Benis, E P; Zouros, T J M; Gorczyca, T W; Zamkov, M; Richard, P

    2003-01-01

    Absolute doubly differential cross sections (DDCSs) for the production and Auger decay of the intra-shell 2s2p 22 D triply excited state formed in collisions of He-like ions (Z = 5-9) with H 2 were determined experimentally, using zero-degree Auger projectile electron spectroscopy. The 2 D e state was directly produced by 180 deg. resonant scattering of the quasi-free H 2 electrons from the 1s2s 3 S metastable state of the ion. Resonant energies and DDCSs calculated using the R-matrix approach within the electron scattering model were found to be in good overall agreement with experiment. (letter to the editor)

  20. Excited states by analytic continuation of TBA equations

    International Nuclear Information System (INIS)

    Dorey, P.; Tateo, R.

    1996-01-01

    We suggest an approach to the problem of finding integral equations for the excited states of an integrable model, starting from the thermodynamic Bethe ansatz equations for its ground state. The idea relies on analytic continuation through complex values of the coupling constant, and an analysis of the monodromies that the equations and their solutions undergo. For the scaling Lee-Yang model, we find equations in this way for the one- and two-particle states in the spin-zero sector, and suggest various generalisations. Numerical results show excellent agreement with the truncated conformal space approach, and we also treat some of the ultraviolet and infrared asymptotics analytically. (orig.)