WorldWideScience

Sample records for excited-state radiative transitions

  1. 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

  2. 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.

  3. Radiative and nonradiative lifetimes in excited states of Ar, Kr and Xe atoms in Ne matrix

    International Nuclear Information System (INIS)

    Hahn, U.; Schwentner, N.

    1979-10-01

    Synchrotron radiation with its intense continuum and its excellent time structure has been exploited for time resolved luminescence spectroscopy in the solid state. By selective excitation of n = 1, n' = 1 and n = 2 exciton states of Xe, Kr and Ar atoms in Ne matrix we were able to identify the emitting states involved. Lifetimes within the cascade of radiative and radiationless relaxation between excited states as well as the radiative lifetimes for transitions to the ground state have been derived from the decay curves. Energy positions and radiative lifetimes of the emitting states correspond quite well with those of the free atoms. Radiative and radiationless relaxation processes take place within the manifold of excited states of the guest atoms. The rate constants for radiationless decay confirm an energy gap law. The order of the radiationless processes reaches in some cases extremely high values. Selection rules for spin and angular momentum are essential to understand the observed radiationless transition rates. (orig.)

  4. Excited meson radiative transitions from lattice QCD using variationally optimized operators

    Energy Technology Data Exchange (ETDEWEB)

    Shultz, Christian J. [Old Dominion Univ., Norfolk, VA (United States); Dudek, Jozef J. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Old Dominion Univ., Norfolk, VA (United States); Edwards, Robert G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2015-06-02

    We explore the use of 'optimized' operators, designed to interpolate only a single meson eigenstate, in three-point correlation functions with a vector-current insertion. These operators are constructed as linear combinations in a large basis of meson interpolating fields using a variational analysis of matrices of two-point correlation functions. After performing such a determination at both zero and non-zero momentum, we compute three-point functions and are able to study radiative transition matrix elements featuring excited state mesons. The required two- and three-point correlation functions are efficiently computed using the distillation framework in which there is a factorization between quark propagation and operator construction, allowing for a large number of meson operators of definite momentum to be considered. We illustrate the method with a calculation using anisotopic lattices having three flavors of dynamical quark all tuned to the physical strange quark mass, considering form-factors and transitions of pseudoscalar and vector meson excitations. In conclusion, the dependence on photon virtuality for a number of form-factors and transitions is extracted and some discussion of excited-state phenomenology is presented.

  5. 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

  6. Electron correlation effect on radiative decay processes of the core-excited states of Be-like ions

    Energy Technology Data Exchange (ETDEWEB)

    Sang, Cuicui, E-mail: sangcc@126.com [Department of Physics, Qinghai Normal University, Xining 810001 (China); Li, Kaikai [College of Forensic Science, People' s Public Security University of China, Beijing 100038 (China); Sun, Yan; Hu, Feng [School of Mathematic and Physical Science, Xuzhou Institute of Technology, Xuzhou 221400, Jiangsu (China)

    2016-07-15

    Highlights: • Radiative rates of the states 1s2s{sup 2}2p and 1s2p{sup 3} with Z = 8–54 are studied. • Electron correlation effect on the radiative transition rates is studied. • Forbidden transitions are explored. - Abstract: Energy levels and the radiative decay processes of the core-excited configurations 1s2s{sup 2}2p and 1s2p{sup 3} of Be-like ions with Z = 8–54 are studied. Electron correlation effect on the energy levels and the radiative transition rates are studied in detail. Except for E1 radiative transition rates, the E2, M1 and M2 forbidden transitions are also explored. Further relativistic corrections from the Breit interaction, quantum electrodynamics and the finite nuclear size are included in the calculations to make the results more precise. Good agreement is found between our results and other theoretical data.

  7. 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

  8. 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.

  9. 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

  10. Radiative transitions from Rydberg states of lithium atoms in a blackbody radiation environment

    Science.gov (United States)

    Glukhov, I. L.; Ovsiannikov, V. D.

    2012-05-01

    The radiative widths induced by blackbody radiation (BBR) were investigated for Rydberg states with principal quantum number up to n = 1000 in S-, P- and D-series of the neutral lithium atom at temperatures T = 100-3000 K. The rates of BBR-induced decays and excitations were compared with the rates of spontaneous decays. Simple analytical approximations are proposed for accurate estimations of the ratio of thermally induced decay (excitation) rates to spontaneous decay rates in wide ranges of states and temperatures.

  11. Photonuclear excitation of 103Rh by synchrotron radiation

    International Nuclear Information System (INIS)

    Yoshihara, Kenji; Kaji, Harumi; Sekine, Tsutomu; Mukoyama, Takeshi

    1989-01-01

    Photonuclear excitation of the 103 Rh nucleus was studied using synchrotron radiation. Formation of the excited state was confirmed by observing K X-rays emitted following the isomeric transition of the 103m Rh with a low-energy photon spectrometer. The intensity of induced activity due to 103 Rh(γ,γ') 103m Rh reaction was determined carefully by subtracting the fluorescent K X-rays due to natural background radiation. The integral cross-section for isomer production of 103m Rh by resonance absorption of photons at 295 keV is found to be (2.1±0.8) x 10 -28 cm 2 eV and is compared with that estimated from the previous experimental value for the 1277-keV level. (author)

  12. Photonuclear excitation of 103Rh by synchrotron radiation

    International Nuclear Information System (INIS)

    Kaji, Harumi; Yoshihara, Kenji; Mukoyama, Takeshi; Nakajima, Tetsuo

    1989-01-01

    Photonuclear excitation of 103 Rh nucleus was studied by the use of synchrotron radiation at KEK. Formation of excited state was confirmed by observing Rh K X-rays emitted following the isomeric transition of 103m Rh with a low-energy photon spectrometer. The induced activity due to 103 Rh(γ,γ') 103m Rh reaction was determined carefully by subtracting the fluorescent K X-rays due to natural background radiation. The integral cross-section for 103m Rh by resonance absorption at 295 keV is found to be (1∼2)x10 -28 cm 2 ·eV and is compared with that estimated from the previous experimental value for the 1277-keV level and the calculated value

  13. 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

  14. Decay, excitation, and ionization of lithium Rydberg states by blackbody radiation

    Science.gov (United States)

    Ovsiannikov, V. D.; Glukhov, I. L.

    2010-09-01

    Details of interaction between the blackbody radiation and neutral lithium atoms were studied in the temperature ranges T = 100-2000 K. The rates of thermally induced decays, excitations and ionization were calculated for S-, P- and D-series of Rydberg states in the Fues' model potential approach. The quantitative regularities for the states of the maximal rates of blackbody-radiation-induced processes were determined. Approximation formulas were proposed for analytical representation of the depopulation rates.

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

    Science.gov (United States)

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

    2017-06-01

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

  16. Transition radiation in EELS and cathodoluminescence

    Energy Technology Data Exchange (ETDEWEB)

    Stöger-Pollach, Michael, E-mail: stoeger@ustem.tuwien.ac.at; Kachtík, Lukáš; Miesenberger, Bernhard; Retzl, Philipp

    2017-02-15

    The excitation probability of transition radiation is measured for varying beam energies in a transmission electron microscope once using optical spectrometry of the emitted light and second using electron energy loss spectrometry. In both cases similar results are found being in good agreement with theory. The knowledge about this probability enables us to judge whether or not transition radiation has to be considered in EELS and CL data interpretation. Additionally it is shown that the emission of transition radiation happens at the sample surfaces only, when the electron passes the vacuum/sample interface and thus feeling the change of its dielectric environment. We demonstrate that in the case of aluminum the influence of transition radiation on the low loss EELS spectrum is only minor and conclude that it might be negligible for many other materials. - Highlights: • We determine the probability for the excitation of transition radiation at a large variety of beam energies in TEM. • We use a GATAN VULCAN system for optical spectrometry in the TEM. • We do angular resolved EELS experiments in a standard TEM with an angular resolution of 7.57 μrad.

  17. 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.)

  18. Excited states of hypernuclei (populated by low energetic separated K- beam)

    CERN Document Server

    Bamberger, A; Haddock, R; Lynen, U; Moszkowski, S; Piekarz, H; Piekarz, J; Pniewski, J; Povh, B; Ritter, H G; Soergel, Volker; Van Oers, W T H

    1972-01-01

    The experimental investigation of hypernuclei up to now has been done using emulsions and bubble chambers and therefore, with only 2 exemptions, all existing knowledge concerns hypernuclear ground states. The investigation of excited states in general is only possible using counter techniques, but these experiments could not be performed due to the low intensity of available K/sup -/-beams. At CERN a low energetic separated K-beam has been built, at which 1000 K /sup -/-mesons per burst can be stopped in a target of 6g/cm/sup 2/ thickness. At this beam an experiment looking for gamma -transitions in excited hypernuclei has been performed. In order to eliminate background gamma -radiation arising from kappa /sup -/ annihilation and de-excitation of residual nuclei, only light targets were used, namely /sup 6/Li, /sup 7/Li, /sup 9/Be, /sup 12/C and /sup 16/O. Hypernuclear transitions were found in /sup 4//sub Lambda /H and /sup 4//sub Lambda /He and possible transitions in /sup 6/Li and /sup 7/Li. The scatterin...

  19. Transition rate diagrams - A new approach to the study of selective excitation processes: The spectrum of manganese in a Grimm-type glow discharge

    Science.gov (United States)

    Weiss, Zdeněk; Steers, Edward B. M.; Pickering, Juliet C.; Mushtaq, Sohail

    2014-02-01

    The emission spectra of manganese observed using a Grimm-type glow discharge in pure argon, argon with 0.3% v/v hydrogen and pure neon were studied in order to identify major excitation and ionization processes of manganese in the plasma. A new procedure is proposed, in which each observed emission line is associated with the corresponding transition between different states of the Mn atom or Mn ion, and, by considering all the observed transitions from and into a specific state, a measure of the total rate is determined at which this state is radiatively populated and depopulated. These resulting population/depopulation rates are then plotted as function of level energy. Such plots, called here “transition rate diagrams”, show the role of individual states in the formation of the observed spectrum and can be used to identify possible selective excitation processes. Also, cascade excitation by radiative decay of higher excited states can be conveniently evaluated in this way. A detailed description of the observed Mn I and Mn II spectra is given for Ar, Ar-H2 and Ne plasmas and relevant excitation/ionization mechanisms are discussed. Matrix effects in analysis of manganese by glow discharge spectroscopy are discussed. A list of important Mn I and Mn II lines excited in the glow discharge plasma is given.

  20. Modeling of charge-transfer transitions and excited states in d6 transition metal complexes by DFT techniques

    Czech Academy of Sciences Publication Activity Database

    Vlček, Antonín; Záliš, Stanislav

    2007-01-01

    Roč. 251, 3-4 (2007), s. 258-287 ISSN 0010-8545 R&D Projects: GA MŠk 1P05OC068; GA MŠk OC 139 Institutional research plan: CEZ:AV0Z40400503 Keywords : charge-transfer transition * DFT technique * excited states * spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 8.568, year: 2007

  1. Calculation of nuclear excitation in an electron transition

    Energy Technology Data Exchange (ETDEWEB)

    Pisk, K. (Institut Rudjer Boskovic, Zagreb (Yugoslavia)); Kaliman, Z. (Rijeka Univ. (Yugoslavia). Faculty of Pedagogics); Logan, B.A. (Ottawa Univ., ON (Canada). Ottawa-Carleton Centre for Physics)

    1989-11-06

    We have made a theoretical investigation of nuclear excitation during an electron transition (NEET). Our approach allows us to express the NEET probabilities in terms of the excited nuclear level width, the energy difference between the nuclear and electron transition, the Coulomb interaction between the initial electron states, and the electron level width. A comparison is made with the available experimental results. (orig.).

  2. Transition rate diagrams — A new approach to the study of selective excitation processes: The spectrum of manganese in a Grimm-type glow discharge

    International Nuclear Information System (INIS)

    Weiss, Zdeněk; Steers, Edward B.M.; Pickering, Juliet C.; Mushtaq, Sohail

    2014-01-01

    The emission spectra of manganese observed using a Grimm-type glow discharge in pure argon, argon with 0.3% v/v hydrogen and pure neon were studied in order to identify major excitation and ionization processes of manganese in the plasma. A new procedure is proposed, in which each observed emission line is associated with the corresponding transition between different states of the Mn atom or Mn ion, and, by considering all the observed transitions from and into a specific state, a measure of the total rate is determined at which this state is radiatively populated and depopulated. These resulting population/depopulation rates are then plotted as function of level energy. Such plots, called here “transition rate diagrams”, show the role of individual states in the formation of the observed spectrum and can be used to identify possible selective excitation processes. Also, cascade excitation by radiative decay of higher excited states can be conveniently evaluated in this way. A detailed description of the observed Mn I and Mn II spectra is given for Ar, Ar–H 2 and Ne plasmas and relevant excitation/ionization mechanisms are discussed. Matrix effects in analysis of manganese by glow discharge spectroscopy are discussed. A list of important Mn I and Mn II lines excited in the glow discharge plasma is given. - Highlights: • We measured GD-OES spectra of Mn in Ar, Ar(H) and Ne discharges. • We determined transition rate diagrams of Mn I and Mn II in these discharges. • Using those diagrams, we identified major excitation processes involved

  3. 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

  4. Excited-state quantum phase transitions in systems with two degrees of freedom: II. Finite-size effects

    Energy Technology Data Exchange (ETDEWEB)

    Stránský, Pavel [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic); Macek, Michal [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic); Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT 06520-8120 (United States); Leviatan, Amiram [Racah Institute of Physics, The Hebrew University, 91904 Jerusalem (Israel); Cejnar, Pavel, E-mail: pavel.cejnar@mff.cuni.cz [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic)

    2015-05-15

    This article extends our previous analysis Stránský et al. (2014) of Excited-State Quantum Phase Transitions (ESQPTs) in systems of dimension two. We focus on the oscillatory component of the quantum state density in connection with ESQPT structures accompanying a first-order ground-state transition. It is shown that a separable (integrable) system can develop rather strong finite-size precursors of ESQPT expressed as singularities in the oscillatory component of the state density. The singularities originate in effectively 1-dimensional dynamics and in some cases appear in multiple replicas with increasing excitation energy. Using a specific model example, we demonstrate that these precursors are rather resistant to proliferation of chaotic dynamics. - Highlights: • Oscillatory components of state density and spectral flow studied near ESQPTs. • Enhanced finite-size precursors of ESQPT caused by fully/partly separable dynamics. • These precursors appear due to criticality of a subsystem with lower dimension. • Separability-induced finite-size effects disappear in case of fully chaotic dynamics.

  5. 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.

  6. Theory of collisional excitation transition between Rydberg states of atoms. Non-inertial mechanism

    International Nuclear Information System (INIS)

    Kaulakys, B.P.

    1982-01-01

    The transitions between highly states of an atom due to the collision of its core with another atom are considered. The cross sections of the change of highly excited electron angular momentum, in the case of the transitions when the main quantum number is constant, are expressed in terms of transport cross sections of the perturbing atom scattering on the ion of Rydberg atom. It is shown that the cross sections of the momentum mixing at thermal rapidities are lower than the cross sections of the atom-ion elastic scattering

  7. Native protein excited by low doses of γ-radiation serves as a source of secondary biogenic radiation

    International Nuclear Information System (INIS)

    Kuzin, A.M.; Surkenova, G.N.; Revin, A.F.

    1996-01-01

    In is demonstrated that native protein of egg-white after being γ-irradiated with law doses is able to stimulate transition of cells of remote biological detector from non-cycling state to proliferation even if irradiated protein is separated from detector by quartz-glass. Animal tissues which have a high protein content (freshly cut hair, insect bodies) reveal the same ability. The role of natural background radiation in the maintenance excitation, state of living tissue proteins is discussed. 13 refs.; 1 figs.; 4 tabs

  8. Evidence from n=2 fine structure transitions for the production of fast excited state positronium

    International Nuclear Information System (INIS)

    Ley, R.; Niebling, K.D.; Schwarz, R.; Werth, G.

    1990-01-01

    Fine structure transitions in the first excited state of positronium (Ps) have been measured using 'Backscatter Ps' production on a Mo surface by observation of a change in the emitted Lyman-α intensity under resonant microwave irradiation. Production, fine structure transitions and Lyman-α decay of the Ps atoms took place inside a waveguide designed to transmit the microwave frequencies of 8.6, 13.0 and 18.5 GHz for the transitions from the 2 3 S 1 state to the 2 3 P J , J=2, 1, 0, states, respectively. In the presence of a magnetic field, all transitions observed show a shift to higher frequencies, compared with earlier calculations and measurements in zero magnetic field. The deviations exceed the expected Zeeman shift significantly but may be explained by assuming a motional Stark effect for Ps with kinetic energies of several eV. (author)

  9. 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

  10. Energies, fine structures, and transitions of the core-excited sextet states "6S"e","o(n) and "6P"e","o(n) (n=1–5) of B-like ions

    International Nuclear Information System (INIS)

    Sun, Yan; Liu, Dong Dong; Mei, Mao Fei; Zhang, Chun Mei; Han, Chong; Hu, Feng; Gou, Bing Cong

    2015-01-01

    A comprehensive theoretical study of atomic characteristics of energy levels and transitions for the core-excited "6S"e","o(n) and "6P"e","o(n) (n=1–5) states of the boron isoelectronic sequence (Z=6–14) are investigated by the Rayleigh–Ritz variation method and multi-configuration interaction wavefunctions. The relativistic corrections and mass polarization effects are included by first-order perturbation theory. The configuration structures of the high-lying sextet series "6S"e","o(n) and "6P"e","o(n) (n=1–5) of the B-like ions are assigned. The transition rates and wavelengths for the electric dipole transitions "6S"e","o(n)—"6P"o","e(n) (n=1–5) of the B-like ions are calculated and compared with currently available theoretical and experimental data. Furthermore, the radiative transition rates and wavelengths for the important dipole transitions are discussed with the increase of nuclear charge number Z. The calculations will provide useful data for identification of spectral lines arising from the solar atmosphere and the experimental study in future work. - Highlights: • Energy and transition data of core-excited sextet states of B-like ions are studied. • Relativistic corrections, mass polarization effects are included in the calculation. • Radiative rates and transition wavelengths are discussed with the increase of Z. • Variation trend of transition rates and wavelengths are present with the n increase. • Some energy levels and transition data are reported for the first time.

  11. 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)

  12. Combination transition radiation in a medium excited by an electromagnetic field

    International Nuclear Information System (INIS)

    Kalashnikova, Yu.S.

    1976-01-01

    The radiation emitted by a uniformly moving charged particle in a medium excited by an electromagnetic field is considered by taking into account the interaction between the electromagnetic waves and optical phonon wave. The frequencies are found, in the vicinity of which the two-wave approximation should be applied in order to determine the radiation field. It is shown that in the vicinity of these frequencies the radiation considerably differs from the Cherenkov radiation

  13. 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

  14. 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

  15. 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

  16. 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...

  17. Even-parity resonances with synchrotron radiation from Laser Excited Lithium at 1s^22p State

    Science.gov (United States)

    Huang, Ming-Tie; Wehlitz, Ralf

    2010-03-01

    Correlated many-body dynamics is still one of the unsolved fundamental problems in physics. Such correlation effects can be most clearly studied in processes involving single atoms for their simplicity.Lithium, being the simplest open shell atom, has been under a lot of study. Most of the studies focused on ground state lithium. However, only odd parity resonances can be populated through single photon (synchrotron radiation) absorption from ground state lithium (1s^22s). Lithium atoms, after being laser excited to the 1s^22p state, allow the study of even parity resonances. We have measured some of the even parity resonances of lithium for resonant energies below 64 eV. A single-mode diode laser is used to excite lithium from 1s^22s ground state to 1s^22p (^2P3/2) state. Photoions resulting from the interaction between the excited lithium and synchrotron radiation were analyzed and collected by an ion time-of-flight (TOF) spectrometer with a Z- stack channel plate detector. The Li^+ ion yield was recorded while scanning the undulator along with the monochromator. The energy scans have been analyzed regarding resonance energies and parameters of the Fano profiles. Our results for the observed resonances will be presented.

  18. Collisional-radiative model for neutral helium in plasma. Excitation cross section and singlet-triplet wavefunction mixing

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Motoshi [National Inst. for Fusion Science, Toki, Gifu (Japan); Fujimoto, Takashi

    1997-10-01

    We have revised the collisional-radiative (CR) model code of neutral helium (T. Fujimoto, JQSRT 21, 1979). The spin-orbit interaction gives rise to mixing of the wavefunctions of the singlet and triplet states. The degree of the mixing depends on the magnetic field, and at the field strength of the level-anticrossings complete mixing, or complete breakdown of the L-S coupling scheme, occurs. We have approximately incorporated this effect into the code. We have reviewed the excitation cross section data for electron impacts. For transitions starting from the ground state, the recent assessment by the group led by Dr. de Heer is judged satisfactory. For transitions from the metastable levels the assessment by the same group appears rather conservative; there remains a question about the cross section values near the threshold. For transitions between different-l levels within the same multiplicity and same n, a semi-empirical formula based on the Born cross section gives a good agreement with experiment. Proton impacts are also considered for these transitions. We compare the new cross sections with those used in the original version. These cross sections for transitions starting from the metastable levels are fitted by analytical formulas and the parameter values are given. We also give parameter values for the excitation rate coefficient for these transitions as well as for transitions starting from the ground state. With all the above revisions incorporated into the CR model code, we have calculated the energy loss rates and the line intensity ratios for the purpose of plasma diagnostics, where the effect of a magnetic field is noted. The calculated population distribution over excited levels are compared with experiment, and a tentative conclusion is drawn concerning the excitation cross section from the metastable level. (author)

  19. 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).

  20. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Shamim, Md; Harbola, Manoj K, E-mail: sami@iitk.ac.i, E-mail: mkh@iitk.ac.i [Department of Physics, Indian Institute of Technology, Kanpur 208 016 (India)

    2010-11-14

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  1. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    International Nuclear Information System (INIS)

    Shamim, Md; Harbola, Manoj K

    2010-01-01

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  2. The reduced transition probabilities for excited states of rare-earths and actinide even-even nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Ghumman, S. S. [Department of Physics, Sant Longowal Institute of Engineering and Technology (Deemed University), Longowal, Sangrur-148106, Punjab, India s-ghumman@yahoo.com (India)

    2015-08-28

    The theoretical B(E2) ratios have been calculated on DF, DR and Krutov models. A simple method based on the work of Arima and Iachello is used to calculate the reduced transition probabilities within SU(3) limit of IBA-I framework. The reduced E2 transition probabilities from second excited states of rare-earths and actinide even–even nuclei calculated from experimental energies and intensities from recent data, have been found to compare better with those calculated on the Krutov model and the SU(3) limit of IBA than the DR and DF models.

  3. Generation of tunable coherent far-infrared radiation using atomic Rydberg states

    International Nuclear Information System (INIS)

    Bookless, W.

    1980-12-01

    A source of tunable far-infrared radiation has been constructed. The system has been operated at 91.6 cm -1 with a demonstrated tunability of .63 cm -1 . The system is based on a Rydberg state transition in optically pumped potassium vapor. The transition energy is tuned by the application of an electric field to the excited vapor. The transition wavelength and the shifted wavelength were detected and measured by the use of a Michelson interferometer and a liquid helium cooled Ga:Ge bolometer and the data was reduced using Fast Fourier transform techniques. Extensive spectroscopy was done on the potassium vapor to elucidate the depopulation paths and rates of the excited levels. Both theoretical and experimental results are presented to support the conclusions of the research effort. Additionally, possible alternative approaches to the population of the excited state are explored and recommendations are made for the future development of this source as well as the potential uses of it in molecular spectroscopy

  4. Electron Excitation Rate Coefficients for Transitions from the IS21S Ground State to the 1S2S1,3S and 1S2P1,3P0 Excited States of Helium

    Science.gov (United States)

    Aggarwal, K. M.; Kingston, A. E.; McDowell, M. R. C.

    1984-03-01

    The available experimental and theoretical electron impact excitation cross section data for the transitions from the 1s2 1S ground state to the 1s2s 1,3S and 1s2p 1,3P0 excited states of helium are assessed. Based on this assessed data, excitation rate coefficients are calculated over a wide electron temperature range below 3.0×106K. A comparison with other published results suggests that the rates used should be lower by a factor of 2 or more.

  5. Radiative charge-transfer lifetime of the excited state of (NaCa)+

    International Nuclear Information System (INIS)

    Makarov, Oleg P.; Cote, R.; Michels, H.; Smith, W.W.

    2003-01-01

    New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom-ion trap under high-vacuum conditions. We study the collisional cooling of laser precooled Ca + ions by ultracold Na atoms. Modeling this process requires knowledge of the radiative lifetime of the excited singlet A 1 Σ + state of the (NaCa) + molecular system. We calculate the rate coefficient for radiative charge transfer using a semiclassical approach. The dipole radial matrix elements between the ground and the excited states, and the potential curves were calculated using complete active space self-consistent field and Moeller-Plesset second-order perturbation theory with an extended Gaussian basis, 6-311+G (3df). The semiclassical charge-transfer rate coefficient was averaged over a thermal Maxwellian distribution. In addition, we also present elastic collision cross sections and the spin-exchange cross section. The rate coefficient for charge transfer was found to be 2.3x10 -16 cm 3 /sec, while those for the elastic and spin-exchange cross sections were found to be several orders of magnitude higher (1.1x10 -8 cm 3 /sec and 2.3x10 -9 cm 3 /sec, respectively). This confirms our assumption that the milli-Kelvin regime of collisional cooling of calcium ions by sodium atoms is favorable with the respect to low loss of calcium ions due to the charge transfer

  6. Adaptive transition rates in excitable membranes

    Directory of Open Access Journals (Sweden)

    Shimon Marom

    2009-02-01

    Full Text Available Adaptation of activity in excitable membranes occurs over a wide range of timescales. Standard computational approaches handle this wide temporal range in terms of multiple states and related reaction rates emanating from the complexity of ionic channels. The study described here takes a different (perhaps complementary approach, by interpreting ion channel kinetics in terms of population dynamics. I show that adaptation in excitable membranes is reducible to a simple Logistic-like equation in which the essential non-linearity is replaced by a feedback loop between the history of activation and an adaptive transition rate that is sensitive to a single dimension of the space of inactive states. This physiologically measurable dimension contributes to the stability of the system and serves as a powerful modulator of input-output relations that depends on the patterns of prior activity; an intrinsic scale free mechanism for cellular adaptation that emerges from the microscopic biophysical properties of ion channels of excitable membranes.

  7. Excitation of hybridized Dirac plasmon polaritons and transition radiation in multi-layer graphene traversed by a fast charged particle

    Science.gov (United States)

    Akbari, Kamran; Mišković, Zoran L.; Segui, Silvina; Gervasoni, Juana L.; Arista, Néstor R.

    2018-06-01

    We analyze the energy loss channels for a fast charged particle traversing a multi-layer graphene (MLG) structure with N layers under normal incidence. Focusing on a terahertz (THz) range of frequencies, and assuming equally doped graphene layers with a large enough separation d between them to neglect interlayer electron hopping, we use the Drude model for two-dimensional conductivity of each layer to describe hybridization of graphene’s Dirac plasmon polaritons (DPPs). Performing a layer decomposition of ohmic energy losses, which include excitation of hybridized DPPs (HDPPs), we have found for N = 3 that the middle HDPP eigenfrequency is not excited in the middle layer due to symmetry constraint, whereas the excitation of the lowest HDPP eigenfrequency produces a Fano resonance in the graphene layer that is first traversed by the charged particle. While the angular distribution of transition radiation emitted in the far field region also shows asymmetry with respect to the traversal order by the incident charged particle at supra-THz frequencies, the integrated radiative energy loss is surprisingly independent of both d and N for N ≤ 5, which is explained by a dominant role of the outer graphene layers in transition radiation. We have further found that the integrated ohmic energy loss in optically thin MLG scales as ∝1/N at sub-THz frequencies, which is explained by exposing the role of dissipative processes in graphene at low frequencies. Finally, prominent peaks are observed at supra-THz frequencies in the integrated ohmic energy loss for MLG structures that are not optically thin. The magnitude of those peaks is found to scale with N for N ≥ 2, while their shape and position replicate the peak in a double-layer graphene (N = 2), which is explained by arguing that plasmon hybridization in such MLG structures is dominated by electromagnetic interaction between the nearest-neighbor graphene layers.

  8. Variational predictions of transition energies and electron affinities: He and Li ground states and Li, Be, and Mg core-excited states

    International Nuclear Information System (INIS)

    Fischer, C.F.

    1990-01-01

    Variational procedures for predicting energy differences of many-electron systems are investigated. Several different calculations for few-electron systems are considered that illustrate the problems encountered when a many-electron system is modeled as a core plus outer electrons. It is shown that sequences of increasingly more accurate calculations for outer correlation may converge yielding wrong transition energies. At the same time, accurate core-polarization calculations overestimate the binding energy, requiring a core-valence correction. For the high-spin, core-excited states of Li, it was found that outer correlation only predicted electron affinities as accurately as full-correlation studies. This observation suggested a prediction of the core-excited 4 P endash 4 S transition in Be - , based on observed 3 P 0 endash 3 P transition energies of the neutral species, predicted electron affinities including only outer correlation, and a core-valence correction, that is shown to be in good agreement with experiment. A similar calculation for Mg - predicts a wavelength of 2895.1 A for this transition

  9. 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

  10. Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

    Science.gov (United States)

    Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

    2013-09-05

    Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

  11. Use of a 3-MV proton accelerator for study of noble gases, including laser ionization of excited states

    International Nuclear Information System (INIS)

    Hurst, G.S.; Judish, J.P.; Nayfeh, M.H.; Parks, J.E.; Payne, M.G.; Wagner, E.B.

    1974-01-01

    The use of a pulsed 3-MV accelerator to study energy pathways in the noble gases is described. The objectives of pathways research are to obtain (1) information on the spectrum of excited states produced by a charged particle in a noble gas, (2) the rate of decay of the various states through various channels as a function of gas pressure, and (3) the modification of the decay channels due to the introduction of foreign species. A new energy pathways model is presented for helium as a general illustration. A method for the study of excited states, using a laser ionization technique is reported. Use is made of a laser which is tuned to a resonance transition between the desired excited state and some higher excited state. Photons in the same pulse photoionize the higher excited state; thus the ionization current vs photon wavelength has a resonance structure. Absolute yields of selected excited states can be obtained whenever the photon fluence per pulse is large enough to saturate the ionization current. A general summary is given of experimental facilities which include a 3-MV Van de Graaff accelerator, electronics for measuring radiation lifetimes, vacuum ultraviolet spectrometers, and a pulsed laser facility for direct study of excited states. Finally, the relevance of pathways research to (1) the interaction of radiation with matter, (2) the development of gas lasers, and (3) methods of ultrasensitive elemental analysis is pointed out

  12. Photoionization cross section of the 4p55d[7/2] J=4 state and radiative lifetimes of three states of Kr I

    International Nuclear Information System (INIS)

    Cannon, B.D.; Glab, W.L.; Ogorzalek-Loo, R.

    1993-01-01

    Three states in Kr I were studied in a pure Kr discharge at pressures ≤15 mTorr. Two-photon excitation from the metastable 4p 5 5s[3/2] J=2 state produced the 4p 5 5d[7/2] J=4 state whose photoionization cross section and lifetime were measured. The photoionization cross section at λ=1064 nm is 32±5 Mb, and the radiative lifetime is 142±12 ns. One-photon excitation produced the 4p 5 5p[5/2] J=2 and J=3 states of Kr I, whose radiative lifetimes were measured. In contrast to previous lifetime measurements of these two 5p states, this work used both state-specific excitation and low pressures. The pressures were low enough that collisional transfer between these two states was negligible. In a very clean 8-mm-diam cell, the 5p[5/2] J=3 lifetime increased with Kr pressure. This increase is attributed to radiation trapping on the 5s[3/2] J=2 to 5p[5/2] J=3 transition. This radiation trapping by the metastable first excited state of Kr I was observed in a pure Kr discharge at pressures below 4 mTorr

  13. Electron-impact excitation of the potassium atom

    International Nuclear Information System (INIS)

    Phelps, J.O.; Solomon, J.E.; Korff, D.F.; Lin, C.C.; Lee, E.T.P.

    1979-01-01

    Absolute optical electron-impact excitation functions for 24 transitions of the sharp, principal, diffuse, and fundamental spectral series of potassium have been measured. The determination of the density of the potassium vapor in the collision chamber was made by measuring the degree of transmission, by the vapor, of potassium resonance radiation generated externally in a fluorescence cell. Direct excitation functions were determined for 14 states (5S, 6S, 7S, 8S, 4P, 5P, 6P, 7P, 3D, 5D, 6D, 5F, 6F, and 7F) with the aid of known radiative-transition probabilities. Theoretical calculations of these same 14 excitation functions, as well as 4D and 4F, were carried out by means of the Born approximation. The 4P, 5P, 5S, 3D, and 4D direct excitation functions at intermediate energies (10--25 eV) were also calculated by the method of multistate close coupling, neglecting projectile--target-electron exchange. The high-energy (above 100 eV) Born-approximation cross sections agree with the experimental results for 4P and for all S states, but are lower than experimental results, by 30--40%, for the D and F states. At intermediate energies the close-coupling excitation calculations agree well with the experimental excitation functions for 4P and 5P, but are significantly higher than experimental values for 5S and 3D. The discrepancies between the experimental and theoretical results are probably due to a combination of systematic experimental errors, errors in the available transition-probability values, and errors in the theoretical excitation functions introduced by the use of approximate excited-state wave functions (Hartree-Fock-Slater), by the neglect of projectile--target-electron exchange. The polarization of the 4P-4S and 3D-4P radiation produced by electron impact was measured, and the results were used to determine the direct excitation functions of the separate magnetic sublevels of the 4P state

  14. 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

  15. 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

  16. 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.

  17. Energy levels, radiative rates and electron impact excitation rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV

    International Nuclear Information System (INIS)

    Aggarwal, Kanti M; Keenan, Francis P

    2013-01-01

    We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV. The grasp (general-purpose relativistic atomic structure package) is adopted for calculating energy levels and radiative rates. For determining the collision strengths, and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 49 levels of each ion. Additionally, theoretical lifetimes are provided for all 49 levels of the above five ions. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 10 8 K. Comparisons are made with similar data obtained using the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for some forbidden transitions, are also discussed. Finally, discrepancies between the present results for effective collision strengths with the darc code and earlier semi-relativistic R-matrix data are noted over a wide range of electron temperatures for many transitions in all ions. (paper)

  18. Energy levels, radiative rates and electron impact excitation rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV

    Science.gov (United States)

    Aggarwal, Kanti M.; Keenan, Francis P.

    2013-04-01

    We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in He-like Ga XXX, Ge XXXI, As XXXII, Se XXXIII and Br XXXIV. The grasp (general-purpose relativistic atomic structure package) is adopted for calculating energy levels and radiative rates. For determining the collision strengths, and subsequently the excitation rates, the Dirac atomic R-matrix code (darc) is used. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest 49 levels of each ion. Additionally, theoretical lifetimes are provided for all 49 levels of the above five ions. Collision strengths are averaged over a Maxwellian velocity distribution and the effective collision strengths obtained listed over a wide temperature range up to 108 K. Comparisons are made with similar data obtained using the flexible atomic code (fac) to highlight the importance of resonances, included in calculations with darc, in the determination of effective collision strengths. Discrepancies between the collision strengths from darc and fac, particularly for some forbidden transitions, are also discussed. Finally, discrepancies between the present results for effective collision strengths with the darc code and earlier semi-relativistic R-matrix data are noted over a wide range of electron temperatures for many transitions in all ions.

  19. Excitation in the radiation chemistry of inorganic gases

    International Nuclear Information System (INIS)

    Willis, C.; Boyd, A.W.

    1976-01-01

    Gas phase radiation chemistry yield data and electron impact cross-section data are used to derive excitation mechanisms and to discuss the role of excited states in the radiation chemistry of O 2 , N 2 , N 2 O, CO, CO 2 , H 2 S, H 2 O and NH 3 . For each of these systems available cross-sections for ionization and neutral excitation are listed, together with relevant reaction rate data and a summary of the radiation chemistry studies at both high and low dose rates. In general, fairly complete mechanisms are derived and further tested by energy balance calculations. In order to present as complete a picture as possible, a summary of rates and products of ion-neutralization reactions is given at the end of the paper. (author)

  20. Electromagnetic radiation of ultrarelativistic particles at scattering in excited medium

    International Nuclear Information System (INIS)

    Malyshevskij, V.S.

    1990-01-01

    The interaction between relativistic particles and a gaseous or condensed medium with a high density of nondegenerate excited quantum states involves the coherent conversion of atomic or molecular excitations into electromagnetic radiation

  1. Proton-hole and core-excited states in the semi-magic nucleus {sup 131}In{sub 82}

    Energy Technology Data Exchange (ETDEWEB)

    Taprogge, J. [Instituto de Estructura de la Materia, CSIC, Madrid (Spain); Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain); RIKEN Nishina Center, RIKEN, Saitama (Japan); Jungclaus, A. [Instituto de Estructura de la Materia, CSIC, Madrid (Spain); Grawe, H. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Borzov, I.N. [Kurchatov Institute, Moscow (Russian Federation); Joint Institute for Nuclear Research, Dubna (Russian Federation); Nishimura, S.; Doornenbal, P.; Soederstroem, P.A.; Baba, H.; Fukuda, N.; Inabe, N.; Isobe, T.; Kameda, D.; Kubo, T.; Shimizu, Y.; Suzuki, H.; Takeda, H.; Watanabe, H. [RIKEN Nishina Center, RIKEN, Saitama (Japan); Lorusso, G. [RIKEN Nishina Center, RIKEN, Saitama (Japan); National Physical Laboratory, NPL, Teddington, Middlesex (United Kingdom); University of Surrey, Department of Physics, Guildford (United Kingdom); Simpson, G.S.; Drouet, F. [LPSC, Universite Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, Grenoble Cedex (France); Sumikama, T. [Tohoku University, Department of Physics, Sendai, Miyagi (Japan); Xu, Z.Y.; Niikura, M. [University of Tokyo, Department of Physics, Tokyo (Japan); Browne, F. [RIKEN Nishina Center, RIKEN, Saitama (Japan); University of Brighton, School of Computing, Engineering and Mathematics, Brighton (United Kingdom); Gernhaeuser, R.; Steiger, K.; Muecher, D. [Technische Universitaet Muenchen, Physik Department E12, Garching (Germany); Gey, G. [RIKEN Nishina Center, RIKEN, Saitama (Japan); LPSC, Universite Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, Grenoble Cedex (France); Institut Laue-Langevin, B.P. 156, Grenoble Cedex 9 (France); Jung, H.S. [Chung-Ang University, Department of Physics, Seoul (Korea, Republic of); Kim, G.D.; Kwon, Y.K. [Institute for Basic Science, Rare Isotope Science Project, Daejeon (Korea, Republic of); Kim, Y.K. [Institute for Basic Science, Rare Isotope Science Project, Daejeon (Korea, Republic of); Hanyang University, Department of Nuclear Engineering, Seoul (Korea, Republic of); Kojouharov, I.; Kurz, N.; Schaffner, H. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Li, Z. [Peking University, School of Physics and State key Laboratory of Nuclear Physics and Technology, Beijing (China); Sakurai, H. [RIKEN Nishina Center, RIKEN, Saitama (Japan); University of Tokyo, Department of Physics, Tokyo (Japan); Vajta, Zs. [RIKEN Nishina Center, RIKEN, Saitama (Japan); MTA Atomki, P.O. Box 51, Debrecen (Hungary); Wu, J. [RIKEN Nishina Center, RIKEN, Saitama (Japan); Peking University, School of Physics and State key Laboratory of Nuclear Physics and Technology, Beijing (China); Yagi, A.; Nishibata, H.; Odahara, A. [Osaka University, Department of Physics, Toyonaka (Japan); Yoshinaga, K. [Tokyo University of Science, Department of Physics, Faculty of Science and Technology, Noda, Chiba (Japan); Benzoni, G. [INFN, Sezione di Milano, Milano (Italy); Boenig, S.; Ilieva, S.; Kroell, T. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Chae, K.Y. [Sungkyunkwan University, Department of Physics, Suwon (Korea, Republic of); Coraggio, L.; Gargano, A. [Complesso Universitario di Monte S. Angelo, Istituto Nazionale di Fisica Nucleare, Napoli (Italy); Daugas, J.M. [CEA, DAM, DIF, Arpajon cedex (France); Gadea, A.; Montaner-Piza, A. [CSIC-Univ. of Valencia, Instituto de Fisica Corpuscular, Paterna (Spain); Itaco, N. [Seconda Universita di Napoli, Dipartimento di Matematica e Fisica, Caserta (Italy); Kondev, F.G. [Argonne National Laboratory, Nuclear Engineering Division, Argonne, IL (United States); Lane, G.J. [Australian National University, Department of Nuclear Physics, Research School of Physical Sciences and Engineering, Canberra (Australia); Moschner, K.; Wendt, A. [University of Cologne, IKP, Cologne (Germany); Naqvi, F. [Yale University, Wright Nuclear Structure Laboratory, New Haven, CT (United States); Orlandi, R. [K.U. Leuven, Instituut voor Kern- en StralingsFysica, Heverlee (Belgium); Japan Atomic Energy Agency, Advanced Science Research Center, Tokai, Ibaraki (Japan); Patel, Z.; Podolyak, Zs. [University of Surrey, Department of Physics, Guildford (United Kingdom)

    2016-11-15

    The β decay of the N = 83 nucleus {sup 131}Cd has been studied at the RIBF facility at the RIKEN Nishina Center. The main purpose of the study was to identify the position of the 1p{sub 3/2} and 0f{sub 5/2} proton-hole states and the energies of core-excited configurations in the semi-magic nucleus {sup 131}In. From the radiation emitted following the β decay, a level scheme of {sup 131}In was established and the β feeding to each excited state determined. Similarities between the single-particle transitions observed in the β decays of the N = 83 isotones {sup 132}In and {sup 131}Cd are discussed. Finally the excitation energies of several core-excited configurations in {sup 131}In are compared to QRPA and shell-model calculations. (orig.)

  2. 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.

  3. Photoluminescence and excited state structure in Bi3+-doped Y2SiO5 single crystalline films

    International Nuclear Information System (INIS)

    Babin, V.; Gorbenko, V.; Krasnikov, A.; Mihokova, E.; Nikl, M.; Zazubovich, S.; Zorenko, Yu.

    2013-01-01

    Single crystalline films of Bi-doped Y 2 SiO 5 are studied at 4.2–350 K by the time-resolved luminescence methods under excitation in the 3.8–6.2 eV energy range. Ultraviolet luminescence of Y 2 SiO 5 :Bi (≈3.6 eV) is shown to arise from the radiative decay of the metastable and radiative minima of the triplet relaxed excited state (RES) of Bi 3+ centers which are related to the 3 P 0 and 3 P 1 levels of a free Bi 3+ ion, respectively. The lowest-energy excitation band of this emission, located at ≈4.5 eV, is assigned to the 1 S 0 → 3 P 1 transitions of a free Bi 3+ ion. The phenomenological model is proposed to describe the excited-state dynamics of Bi 3+ centers in Y 2 SiO 5 :Bi, and parameters of the triplet RES are determined. -- Highlights: •Luminescence of Y 2 SiO 5 :Bi is investigated for the first time. •Ultraviolet emission arises from Bi 3+ ions located in Y lattice sites. •The triplet relaxed excited states parameters of Bi 3+ centers are determined

  4. Photoinduced dynamics of a cyanine dye: parallel pathways of non-radiative deactivation involving multiple excited-state twisted transients.

    Science.gov (United States)

    Upadhyayula, Srigokul; Nuñez, Vicente; Espinoza, Eli M; Larsen, Jillian M; Bao, Duoduo; Shi, Dewen; Mac, Jenny T; Anvari, Bahman; Vullev, Valentine I

    2015-04-01

    Cyanine dyes are broadly used for fluorescence imaging and other photonic applications. 3,3'-Diethylthiacyanine (THIA) is a cyanine dye composed of two identical aromatic heterocyclic moieties linked with a single methine, -CH 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 . The torsional degrees of freedom around the methine bonds provide routes for non-radiative decay, responsible for the inherently low fluorescence quantum yields. Using transient absorption spectroscopy, we determined that upon photoexcitation, the excited state relaxes along two parallel pathways producing three excited-state transients that undergo internal conversion to the ground state. The media viscosity impedes the molecular modes of ring rotation and preferentially affects one of the pathways of non-radiative decay, exerting a dominant effect on the emission

  5. 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.

  6. 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

  7. Radiation damage in nonmetallic solids under dense electronic excitation

    International Nuclear Information System (INIS)

    Itoh, Noriaki; Tanimura, Katsumi; Nakai, Yasuo

    1992-01-01

    Basic processes of radiation damage of insulators by dense electronic excitation are reviewed. First it is pointed out that electronic excitation of nonmetallic solids produces the self-trapped excitons and defect-related metastable states having relatively long lifetimes, and that the excitation of these metastable states, produces stable defects. The effects of irradiation with heavy ions, including track registration, are surveyed on the basis of the microscopic studies. It is pointed out also that the excitation of the metastable states plays a role in laser-induced damage at relatively low fluences, while the laser damage has been reported to be governed by heating of free electrons produced by multiphoton excitation. Difference in the contributions of the excitation of metastable defects to laser-induced damage of surfaces, or laser ablation, and laser-induced bulk damage is stressed. (orig.)

  8. Transition radiation and transition scattering

    International Nuclear Information System (INIS)

    Ginzburg, V.L.

    1982-01-01

    Transition radiation is a process of a rather general character. It occurs when some source, which does not have a proper frequency (for example, a charge) moves at a constant velocity in an inhomogeneous and (or) nonstationary medium or near such a medium. The simplest type of transition radiation takes place when a charge crosses a boundary between two media (the role of one of the media may be played by vacuum). In the case of periodic variation of the medium, transition radiation possesses some specific features (resonance transition radiation or transition scattering). Transition scattering occurs, in particular, when a permittivity wave falls onto an nonmoving (fixed) charge. Transition scattering is closely connected with transition bremsstrahlung radiation. All these transition processes are essential for plasma physics. Transition radiation and transition scattering have analogues outside the framework of electrodynamics (like in the case of Vavilov-Cherenkov radiation). In the present report the corresponding range of phenomena is elucidated, as far as possible, in a generally physical aspect. (Auth.)

  9. 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.

  10. 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.

  11. Dielectronic recombination rate coefficients to the excited states of CII from CIII

    International Nuclear Information System (INIS)

    Kato, Takako; Safronova, U.; Ohira, Mituhiko.

    1996-02-01

    Energy levels, radiative transition probabilities and autoionization rates for CII including 1s 2 2l2l'nl'' (n=2-6, l'≤(n-1)) states were calculated by using multi-configurational Hartree-Fock (Cowan code) method. Autoionizing levels above three thresholds: 1s 2 2s 2 ( 1 S), 1s 2 2s2p( 3 P), 1s 2 2s2p( 1 P) were considered. Branching ratios related to the first threshold and the intensity factor were calculated for satellite lines of CII ion. The dielectronic recombination rate coefficients to the excited states for n=2-6 are calculated with these atomic data. The rate coefficients are fitted to an analytical formula and the fit parameters are given. The values for higher excited states than n=6 are extrapolated and the total dielectronic recombination rate coefficients are derived. The effective recombination rate coefficient for different electron densities are also derived. (author)

  12. State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

    Science.gov (United States)

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    2015-12-23

    Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation.

  13. 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)

  14. Oxygen auroral transition laser system excited by collisional and photolytic energy transfer

    International Nuclear Information System (INIS)

    Murray, J.R.; Powell, H.T.; Rhodes, C.K.

    1975-06-01

    The properties of laser media involving the auroral transition of atomic oxygen and analogous systems are examined. A discussion of the atomic properties, collisional mechanisms, excitation processes, and collisionally induced radiative phenomena is given. Crossing phenomena play a particularly important role in governing the dynamics of the medium

  15. Quantum deformation of the angular distributions of synchrotron radiation. Emission from particles in the first excited state

    Energy Technology Data Exchange (ETDEWEB)

    Bagrov, V.G. [Tomsk State University, Department of Physics, Tomsk (Russian Federation); SB RAS, Tomsk Institute of High Current Electronics, Tomsk (Russian Federation); University of Sao Paulo, Institute of Physics, Sao Paulo (Brazil); Burimova, A.N. [Tomsk State University, Department of Physics, Tomsk (Russian Federation); University of Sao Paulo, Institute of Physics, Sao Paulo (Brazil); Gitman, D.M.; Levin, A.D. [University of Sao Paulo, Institute of Physics, Sao Paulo (Brazil)

    2012-02-15

    The exact expressions for the characteristics of synchrotron radiation of charged particles in the first excited state are obtained in analytical form using quantum theory methods. We performed a detailed analysis of the angular distribution structure of radiation power and its polarization for particles with spin 0 and 1/2. It is shown that the exact quantum calculations lead to results that differ substantially from the predictions of classical theory. (orig.)

  16. Branching ratios of radiative transitions in O VI

    International Nuclear Information System (INIS)

    Sur, Chiranjib; Chaudhuri, Rajat K

    2007-01-01

    We study the branching ratios of the allowed and forbidden radiative transitions among the first few (9) fine structure levels of O VI using relativistic coupled-cluster theory. We find irregular patterns for a number of transitions within n-complexes with n ≤ 4. We have used the existing values of the allowed electric dipole (E1) transition as a benchmark of our theory. Good agreement with the existing values establish accuracies of not only the theoretical method but the basis function as well. In general, the electric quadrupole (E2) transition probabilities are greater in magnitude than magnetic dipole (M1) transition probabilities, whereas for medium atomic transition frequencies they are of the same order of magnitude. On the other hand, if the transitions involved are in between two fine-structure components of the same term, then the M1 transition probability is more probable than that of E2. The results presented here in tabular and graphical form are compared with the available theoretical and observed data. Graphical analysis helps to understand the trends of electric and magnetic transitions for the decay channels presented here. Our calculated values of the lifetimes of the excited states are in very good agreement with the available results

  17. Excitation Chains at the Glass Transition

    International Nuclear Information System (INIS)

    Langer, J. S.

    2006-01-01

    The excitation-chain theory of the glass transition, proposed in an earlier publication, predicts diverging, super-Arrhenius relaxation times and, via a similarly diverging length scale, suggests a way of understanding the relations between dynamic and thermodynamic properties of glass-forming liquids. I argue here that critically large excitation chains play a role roughly analogous to that played by critical clusters in the droplet model of vapor condensation. Unlike a first-order condensation point in a vapor, the glass transition is not a conventional phase transformation, and may not be a thermodynamic transition at all

  18. Transition probabilities and radiative decay constants of the excited levels of Ne

    International Nuclear Information System (INIS)

    Wosinski, L.

    1981-01-01

    Transition probabilities for eight optical transitions between the 3p and 3d neon levels have been measured by the ''plasma transparency method''. The transitions probabilities are placed on an absolute scale by use of the recently reported values for the 4p→3s transitions. The measurements of induced changes in populations allowed the determination of the ratios of the radiative decay constants for the 4p and 3d levels. The experimental results are compared with the theoretically calculated transitions probabilities of Murphy and Lilly. (author)

  19. Study of electric monopole transitions between the ground state and the first excited O+-state in 40,42,44,48Ca with high resolution inelastic electron scattering

    International Nuclear Information System (INIS)

    Strottman, D.; Graef, H.D.; Feldmeier, H.; Manakos, P.; Richter, A.; Spamer, E.

    1977-11-01

    Monopole transitions from the O + 1 ground states to O + 2 excited states at 3.353 MeV ( 40 Ca), 1.837 MeV ( 42 Ca), 1.884 MeV ( 44 Ca) and 4.272 Mev ( 48 Ca) have been investigated with high resolution inelastic electron scattering (FWHM approximately equal to 30 keV) at low momentum transfer (0.29 fm -1 -1 ). The respective monopole matrix elements are (2.53 +- 0.41) fm 2 , (5.24 +- 0.39) fm 2 , (5.45 +- 0.41) fm 2 and (2.28 +- 0.49) fm 2 . These results are used together with known ground state charge radii and the average number of holes in the sd-shell in the ground state to estimate the number of particle-hole excitations in the wavefunctions of th excited O + states. (orig.) [de

  20. 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.

  1. 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

  2. Nonlinear narrow Doppler-free resonances for optical transitions and annihilation radiation of a positronium atom

    International Nuclear Information System (INIS)

    Letokhov, V.S.; Minogin, V.G.

    1976-01-01

    The possibilities of obtaining narrow resonances without the Doppler broadening for transition between the fine structure levels of the ground and first excited states of a positronium atom are considered. An analysis is carried out of the conditions required for observation of the narrow resonances of saturation of single quantum absorption in the 1S-2P transitions and observation of narrow two-photon absorption resonances in the 1S-2S transitions. It is shown that narrow 2γ annihilation radiation lines of a positronium atom may be obtained with a width much smaller than the Doppler one

  3. Luminescence and excited state dynamics of Bi{sup 3+} centers in Y{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Babin, V. [Institute of Physics AS CR, Cukrovarnicka 10, 16200 Prague (Czech Republic); Chernenko, K., E-mail: nuclearphys@yandex.ru [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Peter the Great Saint-Petersburg Polytechnic University, Polytekhnicheskaya 29, 195251 St. Petersburg (Russian Federation); Lipińska, L. [Institute of Electronic Materials Technology, Wólczyńska 133, 01919 Warsaw (Poland); Mihokova, E.; Nikl, M. [Institute of Physics AS CR, Cukrovarnicka 10, 16200 Prague (Czech Republic); Schulman, L.S. [Physics Department, Clarkson University, Potsdam, NY 13699-5820 (United States); Shalapska, T. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Suchocki, A. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Institute of Physics, University of Bydgoszcz, Weyssenhoffa 11, 85072 Bydgoszcz (Poland); Zazubovich, S. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Zhydachevskii, Ya. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Lviv Polytechnic National University, Bandera 12, 79646 Lviv (Ukraine)

    2015-11-15

    Photoluminescence of Y{sub 2}O{sub 3}:Bi nanopowder synthesized by the modified sol–gel method is studied using time-resolved luminescence spectroscopy in the 4.2–300 K temperature range. Bi{sup 3+} ions are substituted for Y{sup 3+} ions in two different crystal lattice sites, one having S{sub 6} symmetry (Bi(S{sub 6})) and the other C{sub 2} symmetry (Bi(C{sub 2})). The luminescence characteristics of these two centers are found to have strongly different electron–phonon interactions. The luminescence of Bi(S{sub 6}) and Bi(C{sub 2}) centers peak at 3.04 eV and 2.41 eV, respectively, and arise from the radiative decay of the triplet relaxed excited state (RES) of Bi{sup 3+} ions. The model and structure of the RES, responsible for the luminescence of Bi(S{sub 6}) and Bi(C{sub 2}) centers in Y{sub 2}O{sub 3}:Bi, as well as radiative and nonradiative processes, taking place in the excited states of these centers, are investigated. The parameters of the triplet RES (the separation between the metastable and radiative levels and probabilities of radiative and nonradiative transitions from these levels) are determined. Low-temperature quenching of the triplet luminescence of these centers is explained by nonradiative quantum tunneling transitions from the metastable minima of their triplet RES to closely located defect- or exciton-related levels. - Highlights: • Photoluminescence of Bi{sup 3+} centers of two types in Y{sub 2}O{sub 3}:Bi is investigated. • Bi(S{sub 6}) and Bi(C{sub 2}) centers reveal strongly different electron–phonon interaction. • Radiative and nonradiative processes in their triplet excited states are clarified. • Low-temperature luminescence quenching in Bi(S{sub 6}) and Bi(C{sub 2}) centers is studied. • New fast weak ≈2.9 eV emission is suggested to arise from Bi(C{sub 2}) centers.

  4. Time-dependent theory of Raman scattering for systems with several excited electronic states: Application to a H+3 model system

    International Nuclear Information System (INIS)

    Heather, R.; Metiu, H.

    1989-01-01

    The time-dependent formulation of Raman scattering theory is used to study how nonadiabatic interactions affect the Raman spectrum of a model H + 3 system, which has two excited electronic states. We start with a formula derived by Heller which gives the Raman scattering cross section as the Fourier transform (over time) of a time-dependent overlap integral. The latter is calculated with a method proposed by Fleck, Morris, and Feit, and extended to curve crossing by Alvarellos and Metiu. In performing these calculations we are especially interested in displaying effects typical of systems having more than one upper state. If the incident laser populates two electronic states there are several ways (i.e., excite to state one and emit from state two, excite to state one, and emit from state one, etc.) by which the Raman process can reach a given final state, and this leads to quantum interference. This interference is manifested in the Raman cross section as approximate selection rules controlling which final states can be reached through the Raman process. These selection rules depend on the relative orientation of the transition dipoles that radiatively couple the ground electronic state with the excited electronic states. The magnitude of the nonadiabatic contribution to the Raman emission, e.g., the contribution from absorbing to state one and emitting from state two, can be determined from the polarization dependence of the Raman emission if the transition dipoles have neither parallel nor antiparallel relative orientation

  5. Radiative transitions in InGaN quantum-well structures

    Energy Technology Data Exchange (ETDEWEB)

    Shapiro, Noad Asaf [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    InGaN based light emitting devices demonstrate excellent luminescence properties and have great potential in lighting applications. Though these devices are already being produced on an industrial scale, the nature of their radiative transition is still not well understood. In particular, the role of the huge (>1MV/cm), built-in electric field in these transitions is still under debate. The luminescence characteristics of InGaN quantum well structures were investigated as a function of excitation power, temperature, and biaxial strain, with an intent of discerning the effects of the electric field and inhomogeneous indium distribution in the QW on the radiative transition. It was found that the luminescence energy did not scale only with the indium concentration but that the QW thickness must also be taken into account. The thickness affects the transition energy due to quantum confinement and carrier separation across a potential drop in the QW. The luminescence peak width was shown to increase with increased indium fraction, due to increased indium inhomogeneity. The carrier lifetime increased exponentially with QW thickness and luminescence wavelength, due to increased carrier separation. Measuring the luminescence energy and carrier lifetime as a function of excitation density showed that the electric field can be screened by strong excitation and, as a consequence, the carrier separation reduced. The temperature dependence of the luminescence showed evidence for bandtails in the density of states, a phenomenon that has been previously related to transition in indium-rich nano-clusters, yet could be accounted for by fluctuations in other parameters that affect the transition energy. Room temperature luminescence efficiency was shown to weakly decrease with increased QW thickness. The application of biaxial strain resulted in either a redshift or blueshift of the luminescence, depending on the sample. The direction and magnitude of the shift in luminescence

  6. 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

  7. Studies of interstellar vibrationally-excited molecules

    International Nuclear Information System (INIS)

    Ziurys, L.M.; Snell, R.L.; Erickson, N.R.

    1986-01-01

    Several molecules thus far have been detected in the ISM in vibrationally-excited states, including H 2 , SiO, HC 3 N, and CH 3 CN. In order for vibrational-excitation to occur, these species must be present in unusually hot and dense gas and/or where strong infrared radiation is present. In order to do a more thorough investigation of vibrational excitation in the interstellar medium (ISM), studies were done of several mm-wave transitions originating in excited vibrational modes of HCN, an abundant interstellar molecule. Vibrationally-excited HCN was recently detected toward Orion-KL and IRC+10216, using a 12 meter antenna. The J=3-2 rotational transitions were detected in the molecule's lowest vibrational state, the bending mode, which is split into two separate levels, due to l-type doubling. This bending mode lies 1025K above ground state, with an Einstein A coefficient of 3.6/s. The J=3-2 line mode of HCN, which lies 2050K above ground state, was also observed toward IRC+10216, and subsequently in Orion-KL. Further measurements of vibrationally-excited HCN were done using a 14 meter telescope, which include the observations of the (0,1,0) and (0,2,0) modes towards Orion-KL, via their J=3-2 transitions at 265-267 GHz. The spectrum of the J=3-2 line in Orion taken with the 14 meter telescope, is shown, along with a map, which indicates that emission from vibrationally-excited HCN arises from a region probably smaller than the 14 meter telescope's 20 arcsec beam

  8. 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...

  9. Dielectronic recombination rate coefficients to excited states of Be-like oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Izumi; Safronova, Ulyana I.; Kato, Takako

    2001-05-01

    We have calculated energy levels, radiative transition probabilities, and autoionization rates for Be-like oxygen (O{sup 4+}) including ls{sup 2}2lnl' (n=2 - 8, l {<=} n - 1) and 1s{sup 2}3l'nl (n=3 - 6, l {<=} n - l) states by multi-configurational Hartree-Fock method (Cowan code) and perturbation theory Z-expansion method (MZ code). The state selective dielectronic recombination rate coefficients to excited states of Be-like O ions are obtained. Configuration mixing plays an important role for the principal quantum number n distribution of the dielectronic recombination rate coefficients for 2snl (n {<=} 5) levels at low electron temperature. The orbital angular momentum quantum number l distribution of the rate coefficients shows a peak at l = 4. The total dielectronic recombination rate coefficient is derived as a function of electron temperature. (author)

  10. 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.

  11. 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...

  12. Luminescence and excited state dynamics in Bi3+-doped LiLaP4O12 phosphates

    International Nuclear Information System (INIS)

    Babin, V.; Chernenko, K.; Demchenko, P.; Mihokova, E.; Nikl, M.; Pashuk, I.; Shalapska, T.; Voloshinovskii, A.; Zazubovich, S.

    2016-01-01

    Photo- and X-ray-excited luminescence characteristics of Bi-doped LiLaP 4 O 12 phosphates with different bismuth contents (from 1 to 25 at% in the melt) are investigated in the 4.2–300 K temperature range and compared with the characteristics of the undoped LiLaP 4 O 12 phosphate. The broad 2.95 eV emission band of LiLaP 4 O 12 :Bi excited around 5.4 eV is found to arise from the bismuth dopant. Relatively large FWHM and Stokes shift of the emission band and especially the data on the low-temperature decay kinetics of the 2.95 eV emission and its temperature dependence, indicating a very small spin-orbit splitting energy of the corresponding excited state, allow the conclusion that this emission arises from the radiative decay of the triplet state of an exciton localized around a Bi 3+ ion. No spectral bands are observed, arising from the electron transitions between the energy levels of Bi 3+ ions. Phenomenological model is proposed for the description of the excited state dynamics of the Bi 3+ -related localized exciton in LiLaP 4 O 12 :Bi and the parameters of the triplet localized exciton state are determined. Keywords: Photoluminescence; Time-resolved spectroscopy; Excited states; Bi 3+ centers; LiLaP 4 O 12 :Bi powders

  13. 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...

  14. Theory of K-MM radiative-Auger transitions

    International Nuclear Information System (INIS)

    Baptista, G.B.

    1975-01-01

    Presently available calculations of transition probabilities for radiative-Auger and double-Auger processes are based on shake-off theory. In this theory, such processes are thought of as being due to electron core rearrangement associated with de-excitation of an inner shell vacancy. It is suggested that radiative-Auger processes result from the interaction of two electrons with one another and the radiation field in the presence of an inner shell vacancy, while double-Auger processes result from the interaction of an electron with two electrons in the presence of a similar vacancy. Expressions for the transition probabilities of these processes are derived in second order time dependent perturbation theory. The interaction is taken as the sum of the Coulomb interaction and electron-field interaction of the electrons involved. This approach allows calculation of the detailed photon or electron energy distribution resulting from such processes, as well as the relative and absolute transition rates involved. As a specific example of this approach the transition probability for the K-MM radiative-Auger effect in argon is calculated and compared with available experimental data. Scaled Thomas-Fermi wavefunctions are used to calculate the total transition probability which is found to be 2.68 x 10 -4 eV/h-bar In addition, the spectral distribution of emitted photons is obtained, and agreement both in magnitude and with the general features of the experimental data is excellent

  15. 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

  16. Impact of state-specific flowfield modeling on atomic nitrogen radiation

    Science.gov (United States)

    Johnston, Christopher O.; Panesi, Marco

    2018-01-01

    A hypersonic flowfield model that treats electronic levels of the dominant afterbody radiator N as individual species is presented. This model allows electron-ion recombination rate and two-temperature modeling improvements, the latter which are shown to decrease afterbody radiative heating by up to 30%. This decrease is primarily due to the addition of the electron-impact excitation energy-exchange term to the energy equation governing the vibrational-electronic electron temperature. This model also allows the validity of the often applied quasi-steady-state (QSS) approximation to be assessed. The QSS approximation is shown to fail throughout most of the afterbody region for lower electronic states, although this impacts the radiative intensity reaching the surface by less than 15%. By computing the electronic-state populations of N within the flowfield solver, instead of through the QSS approximation in the radiation solver, the coupling of nonlocal radiative transition rates to the species continuity equations becomes feasible. Implementation of this higher-fidelity level of coupling between the flowfield and radiation solvers is shown to increase the afterbody radiation by up to 50% relative to the conventional model.

  17. 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.

  18. 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.

  19. Fluorescence excitation involving multiple electron transition states of N{sub 2} and CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Wu, C.Y.R.; Chen, F.Z.; Hung, T.; Judge, D.L. [Univ. of Southern California, Los Angeles, CA (United States)

    1997-04-01

    The electronic states and electronic structures of N{sub 2} and CO{sub 2} in the 8-50 eV energy region have been studied extensively both experimentally and theoretically. In the energy region higher than 25 eV there exists many electronic states including multiple electron transition (MET) states which are responsible for producing most of the dissociative photoionization products. The electronic states at energies higher than 50 eV have been mainly determined by Auger spectroscopy, double charge transfer, photofragment spectroscopy and ion-ion coincidence spectroscopy. The absorption and ionization spectra of these molecules at energies higher than 50 eV mainly show a monotonic decrease in cross section values and exhibit structureless features. The decay channels of MET and Rydberg (or superexcited) states include autoionization, ionization, dissociative ionization, predissociation, and dissociation while those of single ion and multiple ion states may involve predissociation. and dissociation processes. The study of fluorescence specifically probes electronically excited species resulting from the above-mentioned decay channels and provides information for understanding the competition among these channels.

  20. 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.)

  1. Magnetic moments, E3 transitions and the structure of high spin core excited states in 211Rn

    International Nuclear Information System (INIS)

    Poletti, A.R.; Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Poletti, S.J.; Gerl, J.; Lewis, P.M.

    1985-03-01

    The results of g-factor measurements of high spin states in 211 Rn are: Esub(x)=8856+Δsup(') keV (Jsup(π)=63/2 - ), g=0.626(7); 6101+Δsup(') keV (49/2 + ), 0.766(8); 5247+Δsup(') keV (43/2 - ), 0.74(2); 3927+Δsup(') keV (35/2 + ), 1/017(12); 1578+Δsup(') keV (17/2 - ), 0.912(9). These results together with measured E3 transition strengths and shell model calculations are used to assign configurations to the core excited states in 211 Rn. Mixed configurations are required to explain the g-factors and enhanced E3 strengths simultaneously

  2. Magnetic moments, E3 transitions and the structure of high-spin core excited states in 211Rn

    International Nuclear Information System (INIS)

    Poletti, A.R.; Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Poletti, S.J.; Gerl, J.; Lewis, P.M.

    1985-01-01

    The results of g-factor measurements of high-spin states in 211 Rn are: Esub(x)=8856+Δ' keV (Jsup(π)=63/2 - ), g=0.626(7); 6101+Δ' keV (49/2 + ), 0.766(8); 5347+Δ' keV (43/2 - ), 0.74(2); 3927+Δ keV (35/2 + ), 1.017(12); 1578+Δ keV (17/2 - ), 0.912(9). These results together with measured E3 transition strengths and shell model calculations are used to assign configurations to the core excited states in 211 Rn. Mixed configurations are required to explain the g-factors and enhanced E3 strengths simultaneously. (orig.)

  3. Photodissociation of CS from Excited Rovibrational Levels

    Science.gov (United States)

    Pattillo, R. J.; Cieszewski, R.; Stancil, P. C.; Forrey, R. C.; Babb, J. F.; McCann, J. F.; McLaughlin, B. M.

    2018-05-01

    Accurate photodissociation cross sections have been computed for transitions from the X 1Σ+ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X 1Σ+ state and for photon wavelengths ranging from 500 Å to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields.

  4. 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.

  5. 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

  6. Transitions between compound states of spherical nuclei

    International Nuclear Information System (INIS)

    Kadmenskii, S.G.; Markushev, V.P.; Furman, V.I.

    1980-01-01

    Wigner's statistical matrices are used to study the average reduced g widths and their dispersion for g transitions from a compound state c to another state f, with a lower excitation energy but of arbitrary complexity, for spherical nuclei. It is found that the Porter--Thomas distribution holds for the g widths for all cases of practical interest. In g transitions between compound states c and c' with E/sub g/< or =2 MeV, the most important transitions are M1 transitions involving the major many-quasiparticle components of state c and E1 transitions involving the minor components of state c. It is shown that the strength functions predicted by the various theories for M1 and E1 transitions between compound states with E/sub g/< or =2 MeV are similar. Preference is assigned to the M1-transition version because of experimental results on (n,ga) reactions with thermal and resonance neutrons

  7. New technique for a simultaneous estimation of the level density and radiative strength functions of dipole transitions at E sub e sub x<=B sub n -0.5 MeV

    CERN Document Server

    Khitrov, V A

    2001-01-01

    The new, model-independent method to estimate simultaneously the level densities excited in the (n,gamma) reaction and the radiative strength functions of dipole transitions is developed. The method can be applied for any nucleus and reaction followed by cascade gamma-emission. It is just necessary to measure the intensities of two-step gamma-cascades depopulating one or several high-excited states and determine the quanta ordering in the main portion of the observed cascades. The method provides a sufficiently narrow interval of most probable densities of levels with given J suppi and radiative strength functions of dipole transitions populating them.

  8. 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.)

  9. Excited-state quantum phase transitions in systems with two degrees of freedom: Level density, level dynamics, thermal properties

    International Nuclear Information System (INIS)

    Stránský, Pavel; Macek, Michal; Cejnar, Pavel

    2014-01-01

    Quantum systems with a finite number of freedom degrees f develop robust singularities in the energy spectrum of excited states as the system’s size increases to infinity. We analyze the general form of these singularities for low f, particularly f=2, clarifying the relation to classical stationary points of the corresponding potential. Signatures in the smoothed energy dependence of the quantum state density and in the flow of energy levels with an arbitrary control parameter are described along with the relevant thermodynamical consequences. The general analysis is illustrated with specific examples of excited-state singularities accompanying the first-order quantum phase transition. -- Highlights: •ESQPTs found in infinite-size limit of systems with low numbers of freedom degrees f. •ESQPTs related to non-analytical evolutions of classical phase–space properties. •ESQPT signatures analyzed for general f, particularly f=2, extending known case f=1. •ESQPT signatures identified in smoothened density and flow of energy spectrum. •ESQPTs shown to induce a new type of thermodynamic anomalies

  10. Radiative lifetime measurements of rubidium Rydberg states

    International Nuclear Information System (INIS)

    Branden, D B; Juhasz, T; Mahlokozera, T; Vesa, C; Wilson, R O; Zheng, M; Tate, D A; Kortyna, A

    2010-01-01

    We have measured the radiative lifetimes of ns, np and nd Rydberg states of rubidium in the range 28 ≤ n ≤ 45. To enable long-lived states to be measured, our experiment uses slow-moving (∼100 μK) 85 Rb atoms in a magneto-optical trap (MOT). Two experimental techniques have been adopted to reduce random and systematic errors. First, a narrow-bandwidth pulsed laser is used to excite the target nl Rydberg state, resulting in minimal shot-to-shot variation in the initial state population. Second, we monitor the target state population as a function of time delay from the laser pulse using a short-duration, millimetre-wave pulse that is resonant with a one- or two-photon transition to a higher energy 'monitor state', n'l'. We then selectively field ionize the monitor state, and detect the resulting electrons with a micro-channel plate. This signal is an accurate mirror of the nl target state population, and is uncontaminated by contributions from other states which are populated by black body radiation. Our results are generally consistent with other recent experimental results obtained using a method which is more prone to systematic error, and are also in excellent agreement with theory.

  11. Detection of interstellar vibrationally excited HCN

    International Nuclear Information System (INIS)

    Ziurys, L.M.; Turner, B.E.

    1986-01-01

    Vibrationally excited HCN has been observed for the first time in the interstellar medium. The J = 3-2 rotational transitions of the l-doubled (0,1/sup 1d/,1c, 0) bending mode of HCN have been detected toward Orion-KL and IRC +10216. In Orion, the overall column density in the (0,1,0) mode, which exclusively samples the ''hot core,'' is 1.7-10 16 cm -2 and can be understood in terms of the ''doughnut'' model for Orion. The ground-state HCN column density implied by the excited-state observations is 2.3 x 10 18 cm -2 in the hot core, at least one order of magnitude greater than the column densities derived for HCN in its spike and plateau/doughnut components. Radiative excitation by 14 μm flux from IRc2 accounts for the (0,1,0) population provided the hot core is approx.6-7 x 10 16 cm distant from IRc2, in agreement with the ''cavity'' model for KL. Toward IRC +10216 we have detected J = 3-2 transitions of both (0,1/sup 1c/,/sup 1d/,0) and (0,2 0 ,0) excited states. The spectral profiles have been modeled to yield abundances and excitation conditions throughout the expanding envelope

  12. Electron-impact excitation rate-coefficients and polarization of subsequent emission for Ar"+ ion

    International Nuclear Information System (INIS)

    Dipti; Srivastava, Rajesh

    2016-01-01

    Electron impact excitation in Ar"+ ions has been studied by using fully relativistic distorted wave theory. Calculations are performed to obtain the excitation cross-sections and rate-coefficients for the transitions from the ground state 3p"5 (J=3/2) to fine-structure levels of excited states 3p"44s, 3p"44p, 3p"45s, 3p"45p, 3p"43d and 3p"44d. Polarization of the radiation following the excitation has been calculated using the obtained magnetic sub-level cross-sections. Comparison of the present rate-coefficients is also done with the previously reported theoretical results for some unresolved fine structure transitions. - Highlights: • Fully relativistic distorted wave theory has been used to study the excitation of fine-structure states of Ar"+. • We have calculated electron-impact excitation cross-sections for the wide range of incident electron energies. • Electron impact excitation rate-coefficients are calculated as a function of electron temperature. • Polarization of photons emitted following the decay of the excited fine-structure states are also reported.

  13. 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

  14. Comparative analysis of the vibrational structure of the absorption spectra of acrolein in the excited ( S 1) electronic state

    Science.gov (United States)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2012-04-01

    The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.

  15. Excited state transitions in 2νββ decays of {sup 76}Ge from phase I of the GERDA experiment

    Energy Technology Data Exchange (ETDEWEB)

    Wester, Thomas [IKTP, TU Dresden (Germany); Collaboration: GERDA-Collaboration

    2015-07-01

    The Germanium Detector Array GERDA is an experiment searching for the neutrinoless double beta decay in {sup 76}Ge. The observation of such a decay would prove the Majorana character of the neutrino and could provide a hint about the neutrino mass and possibly identify the mass hierarchy scheme. The half life of the neutrino accompanied double beta decay (2νββ) of {sup 76}Ge has been measured by GERDA Phase I with unprecedented precision. The observed spectrum comes mostly from the transition from the 0{sup +} ground state of {sup 76}Ge to the 0{sup +} ground state of {sup 76}Se. However, phase space suppressed 2νββ transitions to excited states of {sup 76}Se exist as well. At current state, the predicted half lives for such decays vary by several orders of magnitude, due to the large uncertainties in the nuclear matrix elements and the available nuclear models. An observation would therefore help to constrain model parameters and decrease those uncertainties. This study investigates the 2νββ decay of {sup 76}Ge into various excited states of {sup 76}Se using the data from GERDA Phase I. An event counting method is performed based on coincident events between two germanium detectors. Several analysis parameters are optimized with the help of Monte Carlo simulations to maximize the sensitivity. The presentation discusses the procedure and results of this analysis.

  16. 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

  17. 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

  18. Quantum analysis in the transition process to excited state of an oxygen molecule induced by electron collisions; Denshi shototsu ni tomonau sanso bunshi ni okeru reiki jotai sen`i no ryoshironteki kaiseki

    Energy Technology Data Exchange (ETDEWEB)

    Ishimaru, K. [Gifu National College of Technology, Gifu (Japan); Okazaki, K. [Tokyo Inst. of Technology, Tokyo (Japan)

    1996-06-25

    For understanding of fundamental chemical reactions under a highly non equilibrium condition which is quite often used in plasma processing, the relevant atomic and molecular processes must be clarified. In this study, an analysis of the transition process to the excited state of an oxygen molecule induced by electron collisions in the oxygen plasma has been carried out. First, the electron density distribution in an oxygen molecule has been calculated using the extended Huckel molecular orbital method. Then, the electron potential energy distribution in the transition process to the excited state has been estimated. The electron behavior has been calculated using the estimated unidimensional electron potential energy distribution and unsteady quantum mechanics. As a result, the transition process to the excited state of an oxygen molecule induced by electron collisions and its conditions have been clarified qualitatively. 9 refs., 9 figs.

  19. 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.

  20. 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)

  1. Gamma decay of the compound state and change of structure of the 124Te excited levels

    International Nuclear Information System (INIS)

    Sukhovoj, A.M.; Khitrov, V.A.

    2008-01-01

    Independent analysis of a large amount of data on the spectrum of gamma rays of the radiative capture of thermal neutrons in 123 Te (Σ(i γ E γ )/B n = 0.49) obtained in Rez made it possible to obtain new and reliable information on the dependence of sums of radiative strength functions of dipole gamma transitions on the energy of levels excited by them. These data, as does the level density in 124 Te, demonstrate a strong change of structure of the nucleus practically for the whole region of the levels excited by a captured neutron. As in the earlier studied nuclei (using data on the intensities of two-step cascades), it is possible to reproduce the stated parameters of the gamma-decay process to the accuracy of experiment only by the models directly taking into account the coexistence and interaction of the usual and superfluid component of the nuclear matter

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

    CERN Document Server

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

    1999-01-01

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

  3. Mott transition: Low-energy excitations and superconductivity

    International Nuclear Information System (INIS)

    Ioffe, L.B.; Larkin, A.I.

    1988-09-01

    It is possible that metal-dielectric transition does not result in changes of magnetic or crystallographic symmetry. In this case a fermionic spectrum is not changed at the transition, but additional low-energy excitations appear which can be described as a gauge field that has the same symmetry as an electromagnetic one. In the case of a non half-filled band gapless scalar Bose excitations also appear. Due to the presence of additional gauge field the physical conductivity is determined by the lowest conductivity of the Fermi or Bose subsystems. (author). 11 refs

  4. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    International Nuclear Information System (INIS)

    Khvostenko, O.G.

    2014-01-01

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy

  5. Electronically excited states of chloroethylenes: Experiment and DFT calculations in comparison

    Energy Technology Data Exchange (ETDEWEB)

    Khvostenko, O.G., E-mail: khv@mail.ru

    2014-08-15

    Highlights: • B3LYP/6-311 + G(d,p) calculations of chloroethylenes molecules were performed. • Calculations were correlated with experiment on the molecules ground and excited states. • The general pattern of electron structure of chloroethylenes was obtained. • Necessity of this data for chloroethylenes negative ions study was noted. - Abstract: B3LYP/6-311 + G(d,p) calculations of ground and electronically excited states of ethylene, chloroethylene, 1,1-dichloroethylene, 1,2-dichloroethylene-cis, 1,2-dichloroethylene-trans trichloroethylene and tetrachloroethylene molecules have been performed. Molecular orbitals images and orbital correlation diagram are given. The calculation results for chloroethylenes electronically excited states were compared with experimental data from the energy-loss spectra obtained and generally considered previously by C.F. Koerting, K.N. Walzl and A. Kupperman. Several new additional triplet and singlet transitions were pointed out in these spectra considering the calculation results. The finding of the additional transitions was supported by the UV absorption spectrum of trichloroethylene recorded in big cuvette (10 cm), where the first three triplet and two low-intensive forbidden singlet transitions were registered. The first triplet of this compound was recorded to be at the same energy as was found with the energy-loss spectroscopy.

  6. Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source

    DEFF Research Database (Denmark)

    Chen, Lin X; Shelby, Megan L; Lestrange, Patrick J

    2016-01-01

    This report will describe our recent studies of transition metal complex structural dynamics on the fs and ps time scales using an X-ray free electron laser source, Linac Coherent Light Source (LCLS). Ultrafast XANES spectra at the Ni K-edge of nickel(ii) tetramesitylporphyrin (NiTMP) were measured...... on the low-energy shoulder of the edge, which is aided by the computation of X-ray transitions for postulated excited electronic states. The observed and computed inner shell to valence orbital transition energies demonstrate and quantify the influence of the electronic configuration on specific metal...

  7. State-resolved Photodissociation and Radiative Association Data for the Molecular Hydrogen Ion

    Science.gov (United States)

    Zammit, Mark C.; Savage, Jeremy S.; Colgan, James; Fursa, Dmitry V.; Kilcrease, David P.; Bray, Igor; Fontes, Christopher J.; Hakel, Peter; Timmermans, Eddy

    2017-12-01

    We present state-resolved (electronic, vibrational, and rotational) cross sections and rate coefficients for the photodissociation (PD) of {{{H}}}2+ and radiative association (RA) of H–H+. We developed a fully quantum mechanical approach within the nonrelativistic Born–Oppenheimer approximation to describe {{{H}}}2+ and calculate the data for transitions between the ground electronic state 1s{σ }g and the 2p{σ }u, 2p{π }u, 3p{σ }u, 3p{π }u, 4p{σ }u, 4f{σ }u, 4f{π }u, and 4p{π }u electronic states (i.e., up to {{{H}}}2+ n = 4). Tables of the dipole-matrix elements and energies needed to calculate state-resolved cross sections and rate coefficients will be made publicly available. These data could be important in astrophysical models when dealing with photon wavelengths (or radiation temperature distributions that are weighted toward such wavelengths) around 100 nm. For example, at these wavelengths and a material temperature of 8400 K, the LTE-averaged PD cross section via the (second electronically excited) 2p{π }u state is over three times larger than the PD cross section via the (first electronically excited) 2p{σ }u state.

  8. Lifetime measurements and dipole transition rates for superdeformed states in 190Hg

    International Nuclear Information System (INIS)

    Amro, H.

    1999-01-01

    The Doppler-shift attenuation method was used to measure life-times of superdeformed (SD) states for both the yrast and the first excited superdeformed band of 190 Hg. Intrinsic quadruple moments Q 0 were extracted. For the first time, the dipole transition rates have been extracted for the inter-band transitions which connect the excited SD band to the yrast states in the second minimum. The results support the interpretation of the excited SD band as a rotational band built on an octupole vibration

  9. Excitations and phase transitions in random anti-ferromagnets

    International Nuclear Information System (INIS)

    Cowley, R.A.; Birgeneau, R.J.; Shirane, G.

    1979-01-01

    Neutron scattering techniques can be used to study the magnetic excitations and phase transitions in the randomly mixed transition metal fluorides. The results for the excitations of samples with two different types of magnetic ions show two bands of excitations; each associated with excitations propagating largely on one type of ion. In the diluted salts the spectra show a complex line shape and greater widths. These results are in good accord with computer simulations showing that linear spin wave theory can be used, but have not been described satisfactorily using the coherent potential approximation. The phase transitions in these materials are always smeared, but it is difficult to ascertain if this smearing is due to macroscopic fluctuations in the concentration or of an intrinsic origin. Studies of these systems close to the percolation point have shown that the thermal disorder is associated with the one-dimensional weak links of the large clusters. Currently theory and experiment are in accord for the two-dimensional Ising system but features are still not understood in Heisenberg systems in both two and three dimensions

  10. 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.)

  11. 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

  12. Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: Resonance Raman and complete active space self-consistent field calculation study

    International Nuclear Information System (INIS)

    Ouyang, Bing; Xue, Jia-Dan; Zheng, Xuming; Fang, Wei-Hai

    2014-01-01

    The excited state structural dynamics of phenyl isothiocyanate (PITC) after excitation to the light absorbing S 2 (A′), S 6 (A′), and S 7 (A′) excited states were studied by using the resonance Raman spectroscopy and complete active space self-consistent field method calculations. The UV absorption bands of PITC were assigned. The vibrational assignments were done on the basis of the Fourier transform (FT)-Raman and FT-infrared measurements, the density-functional theory computations, and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohexane, acetonitrile, and methanol solvents were, respectively, obtained at 299.1, 282.4, 266.0, 252.7, 228.7, 217.8, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PITC. The results indicated that the structural dynamics in the S 2 (A′), S 6 (A′), and S 7 (A′) excited states were very different. The conical intersection point CI(S 2 /S 1 ) were predicted to play important role in the low-lying excited state decay dynamics. Two major decay channels were predicted for PITC upon excitation to the S 2 (A′) state: the radiative S 2,min → S 0 transition and the nonradiative S 2 → S 1 internal conversion via CI(S 2 /S 1 ). The differences in the decay dynamics between methyl isothiocyanate and PITC in the first light absorbing excited state were discussed. The role of the intersystem crossing point ISC(S 1 /T 1 ) in the excited state decay dynamics of PITC is evaluated

  13. 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.

  14. 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.

  15. 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.)

  16. 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.

  17. Soft radiative strength in warm nuclei

    International Nuclear Information System (INIS)

    Becker, J A; Bernstein, L A; Garrett, P E; Nelson, R O; Schiller, A; Voinov, A; Agvaanluvsan, U; Algin, E; Belgya, T; Chankova, R; Guttormsen, M; Mitchell, G E; Rekstad, J; Siem, S

    2004-01-01

    Unresolved transitions in the nuclear γ-ray cascade produced in the decay of excited nuclei are best described by statistical concepts: a continuous radiative strength function (RSF) and level density yield mean values of transition matrix elements. Data on the soft (E γ < 3-4 MeV) RSF for transitions between warm states (i.e. states several MeV above the yrast line) have, however, remained elusive

  18. 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.

  19. Radiative transitions from Υ(5S) to molecular bottomonium

    International Nuclear Information System (INIS)

    Voloshin, M. B.

    2011-01-01

    The heavy quark spin symmetry implies that in addition to the recently observed Z(10610) and Z(10650) molecular resonances with I G =1 + , there should exist two or four molecular bottomonium-like states with I G =1 - . Properties of these G-odd states are considered, including their production in the radiative transitions from Υ(5S), by applying the same symmetry to the Υ(5S) resonance and the transition amplitudes. The considered radiative processes can provide a realistic option for observing the yet hypothetical states.

  20. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

    Science.gov (United States)

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    2015-06-28

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

  1. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal

    International Nuclear Information System (INIS)

    Zhao, Bin; Guo, Hua; Sun, Zhigang

    2015-01-01

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal

  2. Electron-collision excitation cross section of the silver atom

    International Nuclear Information System (INIS)

    Krasavin, A.Y.; Kuchenev, A.N.; Smirnov, Y.M.

    1983-01-01

    The cross sections for direct excitation by electron collision were measured for fifteen transitions of the silver atom. For thirteen of these transitions the optical excitation functions were recorded, varying the energy of the exciting electrons from the threshold energy to 250 eV. The operating region of the spectrum was 2000--5500 A. The excitation cross sections of the two principal lines exceeded the excitation cross sections of all the remaining lines by more than an order of magnitude. Reabsorption of the resonance lines was detected from the change in the ratio of intensities of the lines at 3280.68 and 3382.89 A, and so their intensity has been corrected relative to the intensities of the nonreabsorbed lines. All radiative transitions, with the exception of resonance transitions, participate in cascade population of the lowest resonance levels, making it possible to determine the resulting direct excitation cross sections of the 5p 2 P/sub 1/2/ and 5p 2 P/sub 3/2/ levels from the ground state of the silver atom. The part played by cascade population of the resonance levels is not large and is 2 P/sub 3/2/ level, and 10% for the 5p 2 P/sub 1/2/ level, of the excitation cross sections of the corresponding resonance transitions

  3. 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.

  4. Lifetime measurements and dipole transition rates for superdeformed states in {sup 190}Hg.

    Energy Technology Data Exchange (ETDEWEB)

    Amro, H.

    1999-03-24

    The Doppler-shift attenuation method was used to measure life-times of superdeformed (SD) states for both the yrast and the first excited superdeformed band of {sup 190}Hg. Intrinsic quadruple moments Q{sub 0} were extracted. For the first time, the dipole transition rates have been extracted for the inter-band transitions which connect the excited SD band to the yrast states in the second minimum. The results support the interpretation of the excited SD band as a rotational band built on an octupole vibration.

  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. Photo- and radiation chemical studies of intermediates involved in excited-state electron-transfer reactions

    International Nuclear Information System (INIS)

    Hoffman, M.Z.

    1985-01-01

    Excited-state inter- and intramolecular electron-transfer reactions lie at the heart of the most photochemical solar energy conversion schemes. The authors research, which has utilized the techniques of continuous and pulsed photolysis and radiolysis, has focused on three general aspects of these reactions involving transition metal coordination complexes and electron donor-acceptor complexes: i) the effect of solution medium on the properties and quenching of the excited states; ii) the control of the quantum yields of formation of redox products; iii) the mechanism by which reduced species interact with water to yield H 2 homogeneously and heterogeneously. EDTA is among the most popular sacrificial electron donors used in model systems. Its role is to scavenge the oxidized form of the photosensitizer in order to prevent its rapid reaction with the reduced form of the electron relay species that results from the electron-transfer quenching of the excited photosensitizer. In systems involving MV 2+ , the radicals resulting from the oxidation of EDTA can eventually lead to the generation of a second equivalent of MV + ; the reducing agent is believed to be a radical localized on the carbon atom alpha to the carboxylate group. The reaction of radiolytically-generated OH/H with EDTA produces this radical directly via H-abstraction or indirectly via deprotonation of the carbon atom adjacent to the nitrogen radical site in the oxidized amine moiety; it reduces MV 2+ with rate constants of 2.8 x 10 9 , 7.6 x 10 9 , and 8.5 x 10 6 M -1 s -1 at pH 12.5, 8.3, and 4.7, respectively. Degradative decarboxylation of EDTA-radicals and their back electron-transfer reactions are enhanced in acidic solution causing the yield of MV + to be severely diminished

  7. Kinetic studies following state-selective laser excitation

    International Nuclear Information System (INIS)

    Keto, J.W.

    1992-01-01

    We have made measurements of state-to-state deactivation cross sections and radiative lifetimes for Xe*(6p,6p',7p) and Kr*(5p) states in xenon and krypton buffer gases. These results are relevant to kinetic models and both excimer lasers and the infrared xenon laser; and they are a significant improvement in the precision of the known radiative lifetimes. This type of experiment can now be compared with recent calculations of state-to-state collisional relaxation in rare-gases by Hickman, Huestis, and Saxon. We have also made significant progress in the study of the electronic spectra of small molecules of the rare gases. Spectra have been obtained for Xe 2 , Xe 3 , Xe 4 , and larger clusters. As guidance for the larger clusters of the rare gases we have obtained the first multiphoton spectra for excitons in condensed xenon. In collaboration with research on the multiphoton spectra of the rare gases, we have continued experiments using synchrotron radiation in collaboration with the University of Hamburg. In experiments there we have observed excitation and fluorescence spectra for single xenon atoms at the surface, within the second layer, and within the bulk of large argon clusters

  8. The isovector quadrupole resonance in yttrium excited by neutron radiative capture

    International Nuclear Information System (INIS)

    Zorro, R.; Bergqvist, I.

    1987-01-01

    In order to investigate the properties of the isovector giant quadrupole resonance (ΔT=1, ΔS=0) in the A=90 mass region, gamma-ray spectra from the reaction 89 Y(n,γ) 90 Y were recorded at several neutron energies in the energy range 12 to 27 MeV at 55 0 , 90 0 and 125 0 . The measured fore-aft asymmetry for the ground-state transition is very small in the low-energy region, but becomes appreciable above a neutron energy of 18 MeV. The observed asymmetry is attributed to interference between radiation from the isovector giant quadrupole resonance and radiation of opposite parity (from the high-energy tail of the giant dipole resonance and direct E1 capture). The data obtained in the present work, interpreted in terms of the direct-semidirect capture model, indicate that the excitation energy of the isovector E2 resonance in 90 Y is 26 ± 1 MeV. The data are consistent with a resonance width of 10 ± 2 MeV and with complete exhaustion of the energy-weighted sum rule for the lower isospin component of the resonance. (orig.)

  9. 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

  10. Luminescence and excited state dynamics in Bi{sup 3+}-doped LiLaP{sub 4}O{sub 12} phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Babin, V. [Institute of Physics AS CR, Cukrovarnicka 10, 16200 Prague (Czech Republic); Chernenko, K., E-mail: nuclearphys@yandex.ru [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Peter the Great Saint-Petersburg Polytechnic University, Polytekhnicheskaya 29, 195251 St.Petersburg (Russian Federation); Demchenko, P. [Ivan Franko National University of Lviv, Kyryla i Mefodiya 8a, 79005 Lviv (Ukraine); Mihokova, E.; Nikl, M. [Institute of Physics AS CR, Cukrovarnicka 10, 16200 Prague (Czech Republic); Pashuk, I. [Ivan Franko National University of Lviv, Kyryla i Mefodiya 8a, 79005 Lviv (Ukraine); Shalapska, T. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia); Voloshinovskii, A. [Ivan Franko National University of Lviv, Kyryla i Mefodiya 8a, 79005 Lviv (Ukraine); Zazubovich, S. [Institute of Physics, University of Tartu, Ravila 14c, 50411 Tartu (Estonia)

    2016-08-15

    Photo- and X-ray-excited luminescence characteristics of Bi-doped LiLaP{sub 4}O{sub 12} phosphates with different bismuth contents (from 1 to 25 at% in the melt) are investigated in the 4.2–300 K temperature range and compared with the characteristics of the undoped LiLaP{sub 4}O{sub 12} phosphate. The broad 2.95 eV emission band of LiLaP{sub 4}O{sub 12}:Bi excited around 5.4 eV is found to arise from the bismuth dopant. Relatively large FWHM and Stokes shift of the emission band and especially the data on the low-temperature decay kinetics of the 2.95 eV emission and its temperature dependence, indicating a very small spin-orbit splitting energy of the corresponding excited state, allow the conclusion that this emission arises from the radiative decay of the triplet state of an exciton localized around a Bi{sup 3+} ion. No spectral bands are observed, arising from the electron transitions between the energy levels of Bi{sup 3+} ions. Phenomenological model is proposed for the description of the excited state dynamics of the Bi{sup 3+}-related localized exciton in LiLaP{sub 4}O{sub 12}:Bi and the parameters of the triplet localized exciton state are determined. Keywords: Photoluminescence; Time-resolved spectroscopy; Excited states; Bi{sup 3+} centers; LiLaP{sub 4}O{sub 12}:Bi powders.

  11. Microwave spectroscopy of HCOO13CH3 in the second methyl torsional excited state

    Science.gov (United States)

    Kobayashi, Kaori; Kuwahara, Takuro; Tachi, Haruka; Urata, Yuki; Tsunekawa, Shozo; Hayashi, Naoto; Higuchi, Hiroyuki; Fujitake, Masaharu; Ohashi, Nobukimi

    2018-01-01

    The new experimental results and analysis of the microwave spectra of HCOO13CH3 in the second methyl torsional excited state are reported. Pseudo-principal axis method (pseudo-PAM) was successfully applied to the normal methyl formate in the second torsional excited state and again applied to this isotopologue. We succeeded to assign 536 A-species transitions up to J = 33 and Ka = 15 and 417 E-species transitions up to J = 32 and Ka = 14. Thirty parameters were used to do the least-squares-analysis by using the pseudo-PAM Hamiltonian consisting of rotational, centrifugal distortion, and internal-rotational constants.

  12. 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

  13. 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.

  14. Gamma transitions between compound states in spherical nuclei

    International Nuclear Information System (INIS)

    Kadmenskij, S.G.; Markushev, V.P.; Furman, V.I.

    1980-01-01

    Average values of the reduced γ widths and their dispersions are investigated, basing on the Wigner statistical matrix method, for γ transitions from a compound state c into a less-energy excited state f of an arbitrary complexity in spherical nuclei. It is shown that in all the cases of practical interest the Porter-Thomas distribution is valid for the γ widths. It is found that in the γ transitions between compound states c and c' with Esub(γ) <= 2 MeV the dominating role is played by the M1 transitions due to the main multiquasiparticle states of c, and by the E1 transitions, due to small components of the state c. In framework of the existent theoretical schemes it is shown that the strength functions of the M1 and E1 transitions between the compound states with Esub(γ) <2 MeV are close. It is deduced thet the variant of the M1 transitions is preferable in view of the experimental results on the (n, γα) reactions induced by thermal and resonance neutrons

  15. Proton emission from high spin states of proton rich excited 94Ag

    International Nuclear Information System (INIS)

    Aggarwal, Mamta

    2008-01-01

    Recent observation of direct 1P and 2P decay of 21 + isomer in proton rich 94 Ag has led to the present theoretical investigation of proton radioactivity from 94 Ag in ground state and excited state and it's dependence on the structural transitions

  16. E3-transitions in sup(105, 107, 109, 111)Ag

    International Nuclear Information System (INIS)

    Shevelev, G.A.; Troitskaya, A.G.; Kartashov, V.M.

    1978-01-01

    Electron radiation of the isomeric transitions of the sup(105-111)Ag odd nuclei was studied using an iron magnetic πsup(√2) beta spectrometer. For most isomeric transitions, relative intensities of the K, L, M, and N lines have been measured; for sup(105-111)Ag and 111 Cd they were measured for the first time. Energy of gamma transitions, relative intensities of internal conversion electrons (ICE) compared with the theoretical ICE values for the E3 transitions are presented. The observations for all the shells are in a fairly gool agreement with the calculations. Systematics of low-lying excited states of the silver nuclei involved is proposed. It has been established that spins and parities of the first excited states of the sup(105-111)Ag odd nuclei are 7/2 + . Multipolarities of isomeric transitions from these staes are pure E3. Spin and parity 9/2 + of the second excited states may be uniquely determined unly for 109 Ag from direct measurements of the ICE transition at 45.8 keV

  17. Observation of electric quadrupole transitions to Rydberg nd states of ultracold rubidium atoms

    NARCIS (Netherlands)

    Tong, D.; Farooqi, S.M.; Kempen, van E.G.M.; Pavlovic, Z.; Stanojevic, J.; Coté, R.; Eyler, E.E.; Gould, P.L.

    2009-01-01

    We report the observation of dipole-forbidden, but quadrupole-allowed, one-photon transitions to high-Rydberg states in Rb. Using pulsed uv excitation of ultracold atoms in a magneto-optical trap, we excite 5s¿nd transitions over a range of principal quantum numbers n=27–59. Compared to

  18. Excitation of hydrogen atom by ultrashort laser pulses in optically dense plasma

    Energy Technology Data Exchange (ETDEWEB)

    Calisti, A. [Aix Marseille Universite, CNRS, PIIM, Marseille (France); Astapenko, V.A. [Moscow Institute of Physics and Technology, Dolgoprudnyi (Russian Federation); Lisitsa, V.S. [Moscow Institute of Physics and Technology, Dolgoprudnyi (Russian Federation); Russian Research Center ' ' Kurchatov Institute' ' , Moscow (Russian Federation); National Research Nuclear University MEPhI, Moscow (Russian Federation)

    2017-10-15

    The features of excitation of a hydrogen atom by ultrashort laser pulses (USP) with a Gaussian envelope in optically dense plasma at a Lyman-beta transition are studied theoretically. The problem is of interest for diagnostics of optically dense media. USP have two doubtless advantages over conventional laser excitation: (a) the USP carrier frequency is shifted to the region of short wavelengths allowing exciting atoms from the ground state and (b) the wide spectrum of USP allows them to penetrate into optically dense media to much longer distances as compared with monochromatic radiation. As actual realistic cases, two examples are considered: hot rarefied plasma (the coronal limit) and dense cold plasma (the Boltzmann equilibrium). Universal expressions for the total probability of excitation of the transition under consideration are obtained in view of absorption of radiation in a medium. As initial data for the spectral form of a line, the results of calculations by methods of molecular dynamics are used. The probability of excitation of an atom is analysed for different values of problem parameters: the pulse duration, the optical thickness of a medium, and the detuning of the pulse carrier frequency from the eigenfrequency of an electron transition. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. 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.)

  20. 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

  1. Excited-state absorption and fluorescence dynamics of Er3+:KY3F10

    Science.gov (United States)

    Labbé, C.; Doualan, J. L.; Moncorgé, R.; Braud, A.; Camy, P.

    2018-05-01

    We report here on a complete investigation of the excited-state absorption and fluorescence dynamics of Er3+ doped KY3F10 single crystals versus dopant concentrations and optical excitation conditions. Radiative and effective (including non-radiative relaxations) emission lifetimes and branching ratios are determined from a Judd-Ofelt analysis of the absorption spectra and via specific fluorescence experiments using wavelength selective laser excitations. Excited-state absorption and emission spectra are registered within seven spectral domains, i.e. 560 nm, 650 nm, 710 nm, 810 nm, 970 nm, 1550 nm and 2750 nm. A maximum gain cross-section of 0.93 × 10-21 cm2 is determined at the potential laser wavelength of 2.801 μm for a population ratio of 0.48. Saturation of fluorescence intensities and variations of population ratios versus pumping rates are registered and confronted with a rate equation model to derive the rates of the most important up-conversion and cross-relaxation energy transfers occurring at high dopant concentrations.

  2. Eigenstates and radiative transition probabilities for Tm3+(4f12) in phosphate and tellurite glasses

    International Nuclear Information System (INIS)

    Spector, N.; Reisfeld, R.; Boehm, L.

    1977-01-01

    Electronic wavefunctions of Tm 3+ in intermediate coupling were obtained and used to calculate the Usup((lambda)) matrix elements between all possible states of the 4f 12 configuration. The Judd-Ofelt intensity parameters Ωsub(lambda) obtained for Tm 3+ in phosphate and tellurite glasses were used in conjunction with the Usup((lambda))'s to calculate the forced electric dipole line strengths. The total electric and magnetic radiative transition probabilities are calculated. The entire theoretical spectrum involving the ground and excited levels (from 129 nm to 16447 nm) is given. (Auth.)

  3. Short review on contemporary state of X-ray transition radiation theory

    International Nuclear Information System (INIS)

    Garibyan, G.M.

    1977-01-01

    The main properties of the X-ray transition radiation and the prehistory of the development of this phenomenon are given. The radiation produced when a charged particle passes through a regular and irregular stack of plates, the influence of the multiple scattering on the radiation as well as the microscopic theory of this phenomenon are considered

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

    Energy Technology Data Exchange (ETDEWEB)

    Herrera-Sancho, Oscar-Andrey

    2012-11-23

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

  5. 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.

  6. Suppression of radiation excitation in focusing environment

    International Nuclear Information System (INIS)

    Huang, Z.; Ruth, R.D.

    1996-12-01

    Radiation damping and quantum excitation in an electron damping ring and a straight focusing channel are reviewed. They are found to be the two limiting cases in the study of a general bending and focusing combined system. In the intermediate regime where the radiation formation length is comparable to the betatron wavelength, quantum excitation can be exponentially suppressed by focusing field. This new regime may have interesting applications in the generation of ultra-low emittance beams

  7. The theory and experiment of solute migration caused by excited state absorptions

    International Nuclear Information System (INIS)

    Xiao, Jin; Ying-Lin, Song; Yu-Xiao, Wang; Min, Shui; Chang-Wei, Li; Jun-Yi, Yang; Xue-Ru, Zhang; Kun, Yang

    2010-01-01

    Nonsymmetrical transition from reverse-saturable absorption (RSA) to saturable absorption (SA) caused by excited state absorption induced mass transport of the CuPcTs dissolved in dimethyl sulfoxide is observed in an open aperture Z-scan experiment with a 21-ps laser pulse. The nonsymmetrical transition from RSA to SA is ascribed neither to saturation of excited state absorption nor to thermal induced mass transport, the so-called Soret effect. In our consideration, strong nonlinear absorption causes the rapid accumulation of the non-uniform kinetic energy of the solute molecules. The non-uniform kinetic field in turn causes the migration of the solute molecules. Additionally, an energy-gradient-induced mass transport theory is presented to interpret the experimental results, and the theoretical calculations are also taken to fit our experimental results. (classical areas of phenomenology)

  8. Electron affinity and excited states of methylglyoxal

    Science.gov (United States)

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

    2017-07-01

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

  9. Search for 2νββ excited state transitions and HPGe characterization for surface events in GERDA phase II

    Energy Technology Data Exchange (ETDEWEB)

    Lehnert, Bjoern

    2016-03-01

    The search for the neutrinoless double beta (0νββ) decay is one of the most active fields in modern particle physics. This process is not allowed within the Standard Model and its observation would imply lepton number violation and would lead to the Majorana nature of neutrinos. The experimentally observed quantity is the half-life of the decay, which can be connected to the effective Majorana neutrino mass via nuclear matrix elements. The latter can only be determined theoretically and are currently affected by large uncertainties. To reduce these uncertainties one can investigate the well established two-neutrino double beta (2νββ) decay into the ground and excited states of the daughter isotope. These similar processes are allowed within the Standard Model. In this dissertation, the search for 2νββ decays into excited states is performed in {sup 110}Pd, {sup 102}Pd and {sup 76}Ge. Three gamma spectroscopy setups at the Felsenkeller (Germany), HADES (Belgium) and LNGS (Italy) underground laboratories are used to search for the transitions in {sup 110}Pd and {sup 102}Pd. No signal is observed leading to lower half-live bounds (90% C.I.) of 2.9 . 10{sup 20} yr, 3.9 . 10{sup 20} yr and 2.9 . 10{sup 20} yr for the 0/2νββ 2{sup +}{sub 1}, 0{sup +}{sub 1} and 2{sup +}{sub 2} transitions in {sup 110}Pd and 7.9 . 10{sup 18} yr, 9.2 . 10{sup 18} yr and 1.5 . 10{sup 19} yr for the 0/2νββ 2{sup +}{sub 1}, 0{sup +}{sub 1} and 2{sup +}{sub 2} transitions in {sup 102}Pd, respectively. This is a factor of 1.3 to 3 improvement compared to previous limits. The data of Phase I (Nov 2011 - May 2013) of the 0νββ decay experiment GERDA at LNGS is used to search for excited state transitions in {sup 76}Ge. The analysis is based on coincidences between two detectors and finds no signal. Lower half-life limits (90 % C.L.) of 1.6.10{sup 23} yr, 3.7.10{sup 23} yr and 2.3.10{sup 23} yr are obtained for the 2νββ 2{sup +}{sub 1}, 0{sup +}{sub 1} and 2{sup +}{sub 2

  10. 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

  11. Regimes of radiative and nonradiative transitions in transport through an electronic system in a photon cavity reaching a steady state

    Science.gov (United States)

    Gudmundsson, Vidar; Jonsson, Thorsteinn H.; Bernodusson, Maria Laura; Abdullah, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei

    2017-01-01

    We analyze how a multilevel many-electron system in a photon cavity approaches the steady state when coupled to external leads. When a plunger gate is used to lower cavity photon dressed one- and two-electron states below the bias window defined by the external leads, we can identify one regime with nonradiative transitions dominating the electron transport, and another regime with radiative transitions. Both transitions trap the electrons in the states below the bias bringing the system into a steady state. The order of the two regimes and their relative strength depends on the location of the bias window in the energy spectrum of the system and the initial conditions.

  12. 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...

  13. Cine: Line excitation by infrared fluorescence in cometary atmospheres

    Science.gov (United States)

    de Val-Borro, Miguel; Cordiner, Martin A.; Milam, Stefanie N.; Charnley, Steven B.

    2017-03-01

    CINE is a Python module for calculating infrared pumping efficiencies that can be applied to the most common molecules found in cometary comae such as water, hydrogen cyanide or methanol. Excitation by solar radiation of vibrational bands followed by radiative decay to the ground vibrational state is one of the main mechanisms for molecular excitation in comets. This code calculates the effective pumping rates for rotational levels in the ground vibrational state scaled by the heliocentric distance of the comet. Line transitions are queried from the latest version of the HITRAN spectroscopic repository using the astroquery affiliated package of astropy. Molecular data are obtained from the LAMDA database. These coefficients are useful for modeling rotational emission lines observed in cometary spectra at sub-millimeter wavelengths. Combined with computational methods to solve the radiative transfer equations based, e.g., on the Monte Carlo algorithm, this model can retrieve production rates and rotational temperatures from the observed emission spectrum.

  14. Equations describing coherent and partially coherent multilevel molecular excitation induced by pulsed Raman transitions: III

    International Nuclear Information System (INIS)

    Shore, B.W.; Sacks, R.; Karr, T.

    1987-01-01

    This memo discusses the equations of motion used to describe multilevel molecular excitation induced by Raman transitions. These equations are based upon the time-dependent Schroedinger equation expressed in a basis of molecular energy states. A partition of these states is made into two sets, those that are far from resonance (and hence unpopulated) and those that are close to resonance, either by one-photon transition or two-photon (Raman) processes. By adiabatic elimination an effective Schroedinger equation is obtained for the resonance states alone. The effective Hamiltonian is expressible in terms of a polarizibility operator

  15. 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)

  16. 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.

  17. Transition radiation excited by a load moving over the interface of two elastic layers

    NARCIS (Netherlands)

    Van Dalen, K.N.; Metrikine, A.; Tsouvalas, A.

    2014-01-01

    Transition radiation is emitted when a perturbation source (e.g., electric charge, mechanical load), which does not possess an inherent frequency, moves along a straight line at a constant velocity in or near an inhomogeneous medium. The phenomenon was described for the first time in

  18. Configuration interaction calculations and excitation rates of X-ray and EUV transitions in sulfurlike manganese

    Energy Technology Data Exchange (ETDEWEB)

    El-Maaref, A.A., E-mail: ahmed.maaref@azhar.edu.eg; Saddeek, Y.B.; Abou halaka, M.M.

    2017-02-15

    Highlights: • Fine-structure calculations of sulfurlike Mn have been performed using configuration interaction technique, CI. • The relativistic effects, Breit-Pauli Hameltonian, have been correlated to the CI calculations. • Excitation rates by electron impact of the Mn X ion have been evaluated up to ionization potential. - Abstract: Fine-structure calculations of energies and transition parameters have been performed using the configuration interaction technique (CI) as implemented in CIV3 code for sulfurlike manganese, Mn X. The calculations are executed in an intermediate coupling scheme using the Breit-Pauli Hamiltonian. As well as, energy levels and oscillator strengths are calculated using LANL code, where the calculations by LANL have been used to estimate the accuracy of the present CI calculations. The calculated energy levels, oscillator strengths, and lifetimes are in reasonable agreement with the published experimental and theoretical values. Electron impact excitation rates of the transitions emit soft X-ray and extreme ultraviolet (EUV) wavelengths have been evaluated. The level population densities are calculated using the collisional radiative model (CRM), as well. The collisional excitation rates and collision strengths have been calculated in the electron temperature range ≤ the ionization potential, ∼1–250 eV.

  19. Systematic investigation of electron impact excitation-autoionization from the ground state of highly charged GaI-like ions through ΔN = 1 transitions

    International Nuclear Information System (INIS)

    Oreg, J.; Bar-Shalom, A.; Goldstein, W.H.; Mandlebaum, P.; Mittnik, D.; Meroz, E.; Schwob, J.L.; Klapisch, M.

    1991-01-01

    A systematic variation in the line intensity ratios of GaI-like and ZnI-like ions of rare earth elements has been recently observed in spectra emitted in a low density, high temperature Tokamak plasma. This variation is shown to be correlated with the gradual opening of autoionizing channels through inner-shell excited configurations of the GaI-like charge-state. These channels enhance the indirect ionization rate of GaI-like ions through excitation-autoionization (EA), effecting the ionization balance and temperatures of greatest abundance. The authors a systematic investigations of EA and direct impact ionizations (DI) in the GaI-like isoelectronic sequence from Mo (Z = 42) to Dy (Z = 66). As Z decreases from Dy to Pr (Z = 59) the levels of the configuration 3d 9 4p4f, which are excited from the ground state by strong dipole collisional transitions, gradually cross the first ionization limit of the ion and are responsible for this ionization enhancement. When Z decreases further an additional channel is opened through the configuration 3d 9 4p4d

  20. Branching ratios in the radiative decay of helium doubly excited states

    International Nuclear Information System (INIS)

    Coreno, M.; Prince, K. C.; Richter, R.; De Simone, M.; Bucar, K.; Zitnik, M.

    2005-01-01

    The doubly excited singlet states of He below the N=2 threshold may decay by autoionization or fluorescence. In the fluorescence decay channel, most decay cascades consist of emission of three photons, of which the first is a VUV photon, the second is in or near the visible range, and the last is another VUV photon. We have studied the fluorescence channel decay dynamics of the (2,0 n ) (2,1 n ) and (2,-1 n ) 1 P, n=3-7, states by wavelength dispersed photon-induced fluorescence spectroscopy. We have detected the photons in the second step of the cascade and determined the branching ratios for the strongest lines in this step. From these data we are able to calculate the branching ratios of the first step in the cascade. The results are in good agreement with calculations of the main decay channels of the higher resonances, but about 20-30 % lower, and so we are able to describe quantitatively the whole fluorescence cascade of the above-mentioned doubly excited states

  1. Elementary excitations and the phase transition in the bimodal Ising spin glass model

    International Nuclear Information System (INIS)

    Jinuntuya, N; Poulter, J

    2012-01-01

    We show how the nature of the phase transition in the two-dimensional bimodal Ising spin glass model can be understood in terms of elementary excitations. Although the energy gap with the ground state is expected to be 4J in the ferromagnetic phase, a gap 2J is in fact found if the finite lattice is wound around a cylinder of odd circumference L. This 2J gap is really a finite size effect that should not occur in the thermodynamic limit of the ferromagnet. The spatial influence of the frustration must be limited and not wrap around the system if L is large enough. In essence, the absence of 2J excitations defines the ferromagnetic phase without recourse to calculating the magnetization or investigating the system response to domain wall defects. This study directly investigates the response to temperature. We also estimate the defect concentration where the phase transition to the spin glass state occurs. The value p c = 0.1045(11) is in reasonable agreement with the literature

  2. Inelastic Neutron Scattering Study of the Rotational Excitations in (KBr)l-x (KCN)x in the Paraelastic and Structural Glass State

    DEFF Research Database (Denmark)

    Loidl, A.; Feile, R.; Knorr, K.

    1984-01-01

    The coupled rotational-translational excitations in (KBr)1-x(KCN)x were studied by inelastic neutron scattering for concentrations 0.008≤x≤0.20. We followed the A1g-T2g tunneling transition and the A1g-Eg librational excitation through the transition from the paraelastic to the structural glass...... state. We found that these two excitations and their coupling to the lattice strains exhibit a very different temperature dependence in the glass state. While the tunneling transition, which triggers reorientations of the CN- ions, shows a drastic reduction of the T2g rotation-translation coupling...

  3. Charmonium meson and hybrid radiative transitions

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Peng [Indiana U., JLAB; Yépez-Martínez, Tochtli [Indiana U.; Szczepaniak, Adam P. [Indiana U., JLAB

    2014-06-01

    We consider the non-relativistic limit of the QCD Hamiltonian in the Coulomb gauge, to describe radiative transitions between conventional charmonium states and from the lowest multiplet of cc¯ hybrids to charmonium mesons. The results are compared to potential quark models and lattices calculations.

  4. Excitation energies, radiative and autoionization rates, dielectronic satellite lines, and dielectronic recombination rates for excited states of Rb-like W from Kr-like W [Relativistic atomic data for Rb-like tungsten

    International Nuclear Information System (INIS)

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

    2016-01-01

    Energy levels, radiative transition probabilities, and autoionization rates for [Ni]4s 2 4p 6 nl, [Ni]4s 2 4p 5 4l ′ nl (l ′ =d,f,n = 4–7), [Ni]4s4p 6 4l ′ nl, (l ′ =d,f,n = 4–7), [Ni]4s 2 4p 5 5l ′ nl (n = 5–7), and [Ni]4s4p 6 6l ′ nl (n = 6–7) states in Rb-like tungsten (W37+) are calculated using the relativistic many-body perturbation theory method (RMBPT code) and the Hartree–Fock-relativistic method (COWAN code). Autoionizing levels above the [Ni]4s 2 4p 6 threshold are considered. It is found that configuration mixing among [Ni]4s 2 4p 5 4l ′ nl and [Ni]4s4p 6 4l ′ nl plays an important role for all atomic characteristics. Branching ratios relative to the first threshold and intensity factors are calculated for satellite lines, and dielectronic recombination (DR) rate coefficients are determined for the [Ni]4s 2 4p 6 nl (n = 4–7) singly excited states, as well as the [Ni]4s 2 4p 5 4dnl, [Ni]4s 2 4p 5 4fnl, [Ni]4s4p 6 4dnl, [Ni]4s 2 4p 6 4fnl, (n = 4–6), and [Ni]4s 2 4p 5 5l ′ 5l doubly excited nonautoionizing states in Rb-like W37+ ion. Contributions from the [Ni]4s24p 6 4fnl (n = 6–7), [Ni]4s 2 4p 5 5l ′ nl (n = 5–6), and [Ni]4s 2 4p 5 6l ′ nl (n = 6–7) doubly excited autoionizing states are evaluated numerically. The high-n state (with n up to 500) contributions are very important for high temperatures. These contributions are determined by using a scaling procedure. Synthetic dielectronic satellite spectra from Rb-like W are simulated in a broad spectral range from 8 to 70 Å. Here, these calculations provide highly accurate values for a number of W 37+ properties useful for a variety of applications including for fusion applications.

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

    Science.gov (United States)

    Etienne, Thibaud

    2015-04-14

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

  6. Radiative transitions from the psi (3095) to ordinary hadrons

    Energy Technology Data Exchange (ETDEWEB)

    Scharre, D.L.

    1980-05-01

    Preliminary results from the Mark II and Crystal Ball experiments on radiative transitions from the psi to ordinary hadrons are presented. In additon to the previously observed transitions to the eta, eta'(958), and f(1270), both groups observe a transition to a state which is tentatively identified as the E(1420).

  7. 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)

  8. Bottomonium spectroscopy and radiative transitions involving the chi(bJ)(1P, 2P) states at BABAR

    NARCIS (Netherlands)

    Lees, J. P.; Poireau, V.; Tisserand, V.; Grauges, E.; Palano, A.; Eigen, G.; Stugu, B.; Brown, D. N.; Kerth, L. T.; Kolomensky, Yu. G.; Lynch, G.; Schroeder, T.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; So, R. Y.; Khan, A.; Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Lankford, A. J.; Mandelkern, M.; Dey, B.; Gary, J. W.; Long, O.; Campagnari, C.; Sevilla, M. Franco; Hong, T. M.; Kovalskyi, D.; Richman, J. D.; West, C. A.; Eisner, A. M.; Lockman, W. S.; Vazquez, W. Panduro; Schumm, B. A.; Seiden, A.; Chao, D. S.; Echenard, B.; Flood, K. T.; Hitlin, D. G.; Miyashita, T. S.; Ongmongkolkul, P.; Roehrken, M.; Andreassen, R.; Huard, Z.; Meadows, B. T.; Pushpawela, B. G.; Sokoloff, M. D.; Sun, L.; Bloom, P. C.; Ford, W. T.; Gaz, A.; Smith, J. G.; Wagner, S. R.; Ayad, R.; Toki, W. H.; Spaan, B.; Bernard, D.; Verderi, M.; Playfer, S.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.; Piemontese, L.; Santoro, V.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Martellotti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.; Contri, R.; Lo Vetere, M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Bhuyan, B.; Prasad, V.; Adametz, A.; Uwer, U.; Lacker, M.; Dauncey, P. D.; Mallik, U.; Cochran, J.; Prell, S.; Ahmed, H.; Gritsan, A. V.; Arnaud, N.; Davier, M.; Derkach, D.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Roudeau, P.; Stocchi, A.; Wormser, G.; Lange, D. J.; Wright, D. M.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.; Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Cowan, G.; Bougher, J.; Brown, D. N.; Davis, C. L.; Denig, A. G.; Fritsch, M.; Gradl, W.; Griessinger, K.; Hafner, A.; Schubert, K. R.; Barlow, R. J.; Lafferty, G. D.; Cenci, R.; Hamilton, B.; Jawahery, A.; Roberts, D. A.; Cowan, R.; Sciolla, G.; Cheaib, R.; Patel, P. M.; Robertson, S. H.; Neri, N.; Palombo, F.; Cremaldi, L.; Godang, R.; Sonnek, P.; Summers, D. J.; Simard, M.; Taras, P.; De Nardo, G.; Onorato, G.; Sciacca, C.; Martinelli, M.; Raven, G.; Jessop, C. P.; LoSecco, J. M.; Honscheid, K.; Kass, R.; Feltresi, E.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simi, G.; Simonetto, F.; Stroili, R.; Akar, S.; Ben-Haim, E.; Bomben, M.; Bonneaud, G. R.; Briand, H.; Calderini, G.; Chauveau, J.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Biasini, M.; Manoni, E.; Pacetti, S.; Rossi, A.; Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Cervelli, A.; Chrzaszcz, M.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Oberhof, B.; Paoloni, E.; Perez, A.; Rizzo, G.; Walsh, J. J.; Pegna, D. Lopes; Olsen, J.; Smith, A. J. S.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Gioi, L. Li; Pilloni, A.; Piredda, G.; Buenger, C.; Dittrich, S.; Gruenber, O.; Hess, M.; Leddig, T.; Voss, C.; Waldi, R.; Adye, T.; Olaiya, E. O.; Wilson, F. F.; Emery, S.; Vasseur, G.; Anulli, F.; Aston, D.; Bard, D. J.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Ebert, M.; Field, R. C.; Fulsom, B. G.; Graham, M. T.; Hast, C.; Innes, W. R.; Kim, P.; Leith, D. W. G. S.; Lewis, P.; Lindemann, D.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Perl, M.; Pulliam, T.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Snyder, A.; Su, D.; Sullivan, M. K.; Va'vra, J.; Wisniewski, W. J.; Wulsin, H. W.; Purohit, M. V.; White, R. M.; Wilson, J. R.; Randle-Conde, A.; Sekula, S. J.; Bellis, M.; Burchat, P. R.; Puccio, E. M. T.; Alam, M. S.; Ernst, J. A.; Gorodeisky, R.; Guttman, N.; Peimer, D. R.; Soffer, A.; Spanier, S. M.; Ritchie, J. L.; Ruland, A. M.; Schwitters, R. F.; Wray, B. C.; Izen, J. M.; Lou, X. C.; Bianchi, F.; De Mori, F.; Filippi, A.; Gamba, D.; Lanceri, L.; Vitale, L.; Martinez-Vidal, F.; Oyanguren, A.; Villanueva-Perez, P.; Albert, J.; Banerjee, Sw.; Beaulieu, A.; Bernlochner, F. U.; Choi, H. H. F.; Kowalewski, R.; Lewczuk, M. J.; Lueck, T.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.; Tasneem, N.; Gershon, T. J.; Harrison, P. F.; Latham, T. E.; Band, H. R.; Dasu, S.; Pan, Y.; Prepost, R.

    2014-01-01

    We use (121±1) million Υ(3S) and (98±1) million Υ(2S) mesons recorded by the BABAR detector at the PEP-II e+e− collider at SLAC to perform a study of radiative transitions involving the χbJ(1P,2P) states in exclusive decays with μ+μ−γγ final states. We reconstruct twelve channels in four cascades

  9. 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

  10. Accurate Cross Sections for Excitation of Resonance Transitions in Atomic Oxygen

    Science.gov (United States)

    Tayal, S. S.

    2004-01-01

    Electron collision excitation cross sections for the resonance 2p(sup)4 (sup 3)P-2p(sup 3)3s (sup 3)S(sup 0), 2p(sup 4) (sup 3)P-2p(sup 3)3d (sup 3)D(sup 0), 2p4 (sup 3)P-2p(sup 3)3s (sup 3)D(sup 0), 2p(sup 4) (sup 3)P-2p(sup 3)3s (sup 3)P(sup 0) and 2p(sup 4) (sup 3)P-2s2p(sup 5) (sup 3)P(sup 0) transitions have been calculated by using the R matrix with a pseudostates approach for incident electron energies from near threshold to 100 eV. The excitation of these transition sgives rise to strong atomic oxygen emission features at 1304, 1027, 989, 878, and 792 Angstrom in the spectra of several planetary atmospheres. We included 22 spectroscopic bound and autoionizing states and 30 pseudostates in the close-coupling expansion. The target wave functions are chosen to properly account for the important correlation and relaxation effects. The effect of coupling to the continuum is included through the use of pseudostates. The contribution of the ionization continuum is significant for resonance transitions. Measured absolute direct excitation cross sections of 0 I are reported by experimental groups from the Jet Propulsion Laboratory and Johns Hopkins University. Good agreement is noted for the 2p(sup)4 (sup 3)P-2p(sup 3)3s (sup 3)S(sup 0) transition (lambda 1304 Ang) with measured cross sections from both groups that agree well with each other. There is disagreement between experiments for other transitions. Our results support the measured cross sections from the Johns Hopkins University for the 2p(sup 4) (sup 3)P-2p(sup 3)3d (sup 3)D(sup 0) and 2p4 (sup 3)P-2p(sup 3)3s (sup 3)D(sup 0) transitions, while for the 2p4 (sup 3)P-2p(sup 3)3s (sup 3)D(sup 0) transition the agreement is switched to the measured cross sections from the Jet Propulsion Laboratory.

  11. Quantum phase transitions between a class of symmetry protected topological states

    Energy Technology Data Exchange (ETDEWEB)

    Tsui, Lokman; Jiang, Hong-Chen; Lu, Yuan-Ming; Lee, Dung-Hai

    2015-07-01

    The subject of this paper is the phase transition between symmetry protected topological states (SPTs). We consider spatial dimension d and symmetry group G so that the cohomology group, Hd+1(G,U(1)), contains at least one Z2n or Z factor. We show that the phase transition between the trivial SPT and the root states that generate the Z2n or Z groups can be induced on the boundary of a (d+1)-dimensional View the MathML source-symmetric SPT by a View the MathML source symmetry breaking field. Moreover we show these boundary phase transitions can be “transplanted” to d dimensions and realized in lattice models as a function of a tuning parameter. The price one pays is for the critical value of the tuning parameter there is an extra non-local (duality-like) symmetry. In the case where the phase transition is continuous, our theory predicts the presence of unusual (sometimes fractionalized) excitations corresponding to delocalized boundary excitations of the non-trivial SPT on one side of the transition. This theory also predicts other phase transition scenarios including first order transition and transition via an intermediate symmetry breaking phase.

  12. Single Production of Excited Neutrino at Clic based Electron Photon Colliders

    International Nuclear Information System (INIS)

    Kirca, Z.

    2004-01-01

    The discovery of excited quarks and leptons, as predicted by composite models, would supply convincing evidence for substructure of fermions. Electron-photon interactions at very high energies provide ideal conditions to look for excited states of first generations offermions. In particular, in magnetic- transition coupling the electron to a gauge bo son would allow for single production of excited neutrinos (ν * ) through t-channel W boson exchange. In this work, (ν * ) production followed by the electroweak radiative decays ν * →νγ, ν * →eW, ν * →νZ is presented. The production cross sections and P T distributions of excited neutrino are studied for CLlC

  13. 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)

  14. 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

  15. Fusion excitation functions involving transitional nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Rehm, K.E.; Jiang, C.L.; Esbensen, H. [and others

    1995-08-01

    Measurements of fusion excitation functions involving transitional nuclei {sup 78}Kr and {sup 100}Mo showed a different behavior at low energies, if compared to measurements with {sup 86}Kr and {sup 92}Mo. This points to a possible influence of nuclear structure on the fusion process. One way to characterize the structure of vibrational nuclei is via their restoring force parameters C{sub 2} which can be calculated from the energy of the lowest 2{sup +} state and the corresponding B(E2) value. A survey of the even-even nuclei between A = 28-150 shows strong variations in C{sub 2} values spanning two orders of magnitude. The lowest values for C{sub 2} are observed for {sup 78}Kr, {sup 104}Ru and {sup 124}Xe followed by {sup 74,76}Ge, {sup 74,76}Se, {sup 100}Mo and {sup 110}Pd. In order to learn more about the influence of {open_quotes}softness{close_quotes} on the sub-barrier fusion enhancement, we measured cross sections for evaporation residue production for the systems {sup 78}Kr + {sup 104}Ru and {sup 78}Kr + {sup 76}Ge with the gas-filled magnet technique. For both systems, fusion excitation functions involving the closed neutron shell nucleus {sup 86}Kr were measured previously. The data are presently being analyzed.

  16. Spontaneous excitation of a circularly accelerated atom coupled to electromagnetic vacuum fluctuations

    International Nuclear Information System (INIS)

    Jin, Yao; Hu, Jiawei; Yu, Hongwei

    2014-01-01

    We study, using the formalism proposed by Dalibard, Dupont-Roc and Cohen-Tannoudji, the contributions of the vacuum fluctuation and radiation reaction to the rate of change of the mean atomic energy for a circularly accelerated multilevel atom coupled to vacuum electromagnetic fields in the ultrarelativistic limit. We find that the balance between vacuum fluctuation and radiation reaction is broken, which causes spontaneous excitations of accelerated ground state atoms in vacuum. Unlike for a circularly accelerated atom coupled to vacuum scalar fields, the contribution of radiation reaction is also affected by acceleration, and this term takes the same form as that of a linearly accelerated atom coupled to vacuum electromagnetic fields. For the contribution of vacuum fluctuations, we find that in contrast to the linear acceleration case, terms proportional to the Planckian factor are replaced by those proportional to a non-Planck exponential term, and this indicates that the radiation perceived by a circularly orbiting observer is no longer thermal as is in the linear acceleration case. However, for an ensemble of two-level atoms, an effective temperature can be defined in terms of the atomic transition rates, which is found to be dependent on the transition frequency of the atom. Specifically, we calculate the effective temperature as a function of the transition frequency and find that in contrast to the case of circularly accelerated atoms coupled to the scalar field, the effective temperature in the current case is always larger than the Unruh temperature. -- Highlights: •We study the spontaneous excitation of a circularly accelerated atom. •Contribution of radiation reaction to the excitation is affected by acceleration. •The radiation perceived by a circularly orbiting observer is no longer thermal. •An effective temperature can be defined in terms of atomic transition rates. •Effective temperature is larger than Unruh temperature and frequency-dependent

  17. The structure of 83Sr excited states

    International Nuclear Information System (INIS)

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

    1976-01-01

    The β-decay of 83 Y isomers (7.06 min and 2.85 min) have been studied by means of Ge(Li) detectors. The proposed level scheme of the 83 Sr nucleus is based on the coincidence measurement and the analysis of energy sums. The intensity balance requirement leads to αsub(T)(35.5keV)=3.2 which is consistent with M1 multipolarity of this transition. A probable structure of some of the excited states in the 83 Sr nucleus is discussed in the frame work of Alaga's model and Kuriyama's model

  18. Research on transition undulator radiation

    International Nuclear Information System (INIS)

    Lu Shuzhuang; Dai Zhimin; Zhao Xiaofeng

    2000-01-01

    The theory of transition undulator radiation was described first, then the properties of infrared and far-infrared transition undulator radiation of SSRF U9.0 were explored by the methods of analytical treatment and numerical simulation, and the influence of beam energy spread, emittance, and magnetic field errors on transition undulator radiation was given also. It was shown that the flux density of the infrared and far-infrared transition undulator radiation of the SSRF U9.0 was high (e.g., the maximum flux density might reach 35 x 10 13 photons/(s·mrad 2 ·BW), collecting angle φ = 0.23 mrad, and the effects of beam energy spread, emittance and magnetic field errors on the radiation flux density were small

  19. Branching ratios of α-decay to ground and excited states of Fm, Cf, Cm and Pu

    Science.gov (United States)

    Hassanabadi, H.; Hosseini, S. S.

    2018-06-01

    We use the well-known Wentzel-Kramers-Brillouin (WKB) barrier penetration probability to calculate α-decay branching ratios for ground and excited states of heavy even-even nuclei of Fermium (248-254Fm), Californium (244-252Cf), Curium (238-248Cm) and Plutonium (234-244Pu) with 94 ≤Zp ≤100. We obtained the branching ratios for the excited states of daughter nucleus by the α-decay energy (Qα), the angular momentum of α-particle (ℓα), and the excitation probability of the daughter nucleus with the excitation energy of state ℓ in the daughter nucleus (i.e. Eℓ*). α-Decay half-lives have been evaluated by using the proximity potential model for the heavy even-even nuclei. We have reported the half-lives and compared the results with the experimental data. The theoretical branching ratios of α-transitions in our calculation are found to agree with the available experimental data well for 0+→ 0+, 0+→ 2+, 0+→ 4+, 0+→ 6+ and 0+ → 8+α-transitions.

  20. Radiative decay into the ground state of highly excited ions of neon isoelectronic series

    International Nuclear Information System (INIS)

    Gogava, A.L.; Ivanova, E.P.

    1989-01-01

    Rates of first 14 dipole-permitted transitions in the main state: 1s 2 2s 2 2p 6 -1s 2 2s 2 2p 5 3s, 3d, 4s, 4d; 1s 2 2s 2 2p 6 -1s 2 2s2p 6 3p, 4p in Ne-similar ions are calculated on the basis of quantum-electrodynamic theory perturbations with model neutral approximation. The effect of strong interaction of levels closely placed is analysed. It leads to sharp redistribution of oscillator forces. It is shown that the rates of radiation decay as a function of nucleus charge at points of level approximation can have large extrema

  1. Prospects for coherently driven nuclear radiation by Coulomb excitation

    International Nuclear Information System (INIS)

    Karamyan, S.A.; Carroll, J.J.

    2006-01-01

    Possible experiments are discussed in which the Coulomb excitation of nuclear isomers would be followed by sequential energy release. The possibility of the coherent Coulomb excitation of nuclei ensconced in a crystal by channeled relativistic heavy projectiles is considered. The phase shift between neighbor-nuclei excitations can be identical to the photon phase shift for emission in forward direction. Thus, the elementary string of atoms can radiate coherently with emission of characteristic nuclear γ rays and the intensity of the radiation could be increased due to the summation of amplitudes. The Moessbauer conditions should be important for this new type of collective radiation that could be promising in the context of the γ-lasing problem

  2. Test of the neoclassical theory of radiation in a weakly excited atomic system

    International Nuclear Information System (INIS)

    Brink, G.O.

    1975-01-01

    The neoclassical theory of radiation predicts that the decay rate of an excited atomic state depends on the population density of the lower state. Experimental evidence is presented here which shows that in the case of 39 K the decay rate is in agreement with the predictions of quantum electrodynamics and definitely in disagreement with the neoclassical theory

  3. Non-linear excitation of gravitational radiation antennae

    International Nuclear Information System (INIS)

    Blair, D.G.

    1982-01-01

    A mechanism of non-linear excitation is proposed to explain observed excess noise in gravitational radiation antennae, driven by low frequency vibration. The mechanism is analogous to the excitation of a violin string by low frequency bowing. Numerical estimates for Weber bars suspended by cables are in good agreement with observations. (Auth.)

  4. Transition rate diagrams and excitation of titanium in a glow discharge in argon and neon

    Science.gov (United States)

    Weiss, Zdeněk; Steers, Edward B. M.; Pickering, Juliet C.

    2018-06-01

    Emission spectra of titanium in a Grimm-type glow discharge in argon and neon were studied using the formalism of transition rate diagrams. Ti I spectra in argon and neon discharges are similar, without signs of selective excitation, and populations of Ti I levels exhibit a decreasing trend as function of energy, except for some scatter. A major excitation process of Ti II in argon discharge is charge transfer from argon ions to neutral titanium. In neon discharge, a strong selective excitation was observed of Ti II levels at ≈13.3-13.4 eV relative to the Ti I ground state. It was attributed to charge transfer from doubly charged titanium ions to neutral titanium, while the Ti++ ions are produced by charge transfer and ionization of neutral titanium by neon ions. Cascade excitation is important for Ti II levels up to an energy of ≈13 eV relative to the Ti I ground state, both in argon and neon discharges.

  5. Systematic investigation of electron impact excitation-autoionization from the ground state of highly charged GaI-like ions through ΔN=1 transitions

    International Nuclear Information System (INIS)

    Oreg, J.; Bar-Shalom, A.; Mandlebaum, P.; Mittnik, D.; Meroz, E.; Schwob, J.L.; Klapisch, M.

    1991-01-01

    A systematic variation in the line intensity ratios of GaI-like and ZnI-like ions of rare earth elements has been recently observed in spectra emitted in a low density, high temperature tokamak plasma. This variation is shown to be correlated with the gradual opening of autoionizing channels through inner-shell excited configurations of the GaI-like charge-state. These channels enhance the indirect ionization rate of GaI-like ions through excitation-autoionization (EA), effecting the ionization balance and temperatures of greatest abundance. We present a systematic investigation of EA and direct impact ionization (DI) in the GaI-like isoelectronic sequence from Mo (Z = 42) to Dy (Z = 66). As Z decreases from Dy to Pr (Z = 59) the levels of the configuration 3d 9 4p4f, which are excited from the ground state by strong dipole collisional transitions, gradually cross the first ionization limit of the ion and are responsible for this ionization enhancement. When Z decreases further an additional channel is opened through the configuration 3d 9 4p4d. 9 refs., 3 figs., 1 tab

  6. Variational transition state theory

    International Nuclear Information System (INIS)

    Truhlar, D.G.

    1986-01-01

    This project is concerned with the development and applications of generalized transition state theory and multidimensional tunneling approximations to chemical reaction rates. They have developed and implemented several practical versions of variational transition state theory (VTST), namely canonical variational theory (CVT), improved canonical variational theory (ICVT), and microcanonical variational theory (μVT). They have also developed and implemented several accurate multidimensional semiclassical tunneling approximations, the most accurate of which are the small-curvature semiclassical adiabatic (SCSA), large-curvature version-3 (LC3), and least-action (LA) approximations. They have applied the methods to thermal rate constants, using transmission coefficients based on ground-state tunneling, and they have also presented and applied adiabatic and diabatic extensions to calculated rate constants for vibrationally excited reactants. Their general goal is to develop accurate methods for calculating chemical reaction rate constants that remain practical even for reasonably complicated molecules. The approximations mentioned above yield rate constants for systems whose potential energy surface is known or assumed. Thus a second, equally important aspect of their work is the determination or modeling, semi-empirically and/or from electronic structure calculations, of potential energy surfaces

  7. Radiative capture studies of the electromagnetic decays of highly excited states

    Energy Technology Data Exchange (ETDEWEB)

    Snover, K. A. [Washington Univ., Seattle (USA). Dept. of Physics; Ikegami, H.; Muraoka, M. [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

    1980-01-01

    Selected examples of interesting E1, M1 and E2 resonance studies in (p, ..gamma..) and (..cap alpha.., ..gamma..) reactions are discussed. These include a unique determination of E1 amplitudes in the /sup 12/C(p,..gamma..sub(o))/sup 13/N reaction, E2 strength in light nuclei, M1 decays to the ground states and to the excited O/sup +/ states of the doubly magic /sup 16/O and /sup 40/Ca nuclei, ''second harmonic'' E1 resonances in (p, ..gamma..), and M1 ..gamma..-decay of stretched particle-hole states in /sup 16/O and /sup 28/Si.

  8. Nonlinear phenomena in the highly excited state of C60

    International Nuclear Information System (INIS)

    Byrne, H.J.; Maser, W.K.; Kaiser, M.; Akselrod, L.; Anders, J.; Ruehle, W.W.; Zhou, X.Q.; Mittelbach, A.; Roth, S.

    1993-01-01

    Under high intensity illumination, the optical and electronic properties of fullerenes are seen to undergo dramatic, nonlinear changes. The photoluminescence emission is seen to increase with approximately the third power of the input intensity above an apparent threshold intensity. Associated with this nonlinear increase is the emergence of a long lifetime emission component and a redshifting of the emission spectrum. Above the threshold intensity the photoconductive response increases with approximately the cube of the input power. In the highly excited state, the photoconductive response becomes relatively temperature independent compared to the thermally activated behaviour observed at low intensities. The characteristics of the temperature dependence are associated with a metallic-like phase in the highly excited state and therefore an optically driven insulator to metal transition is proposed as a description of the observed phenomena. (orig.)

  9. 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 .

  10. Observation of coherent Smith-Purcell and transition radiation driven by single bunch and micro-bunched electron beams

    Science.gov (United States)

    Liang, Yifan; Du, Yingchao; Su, Xiaolu; Wang, Dan; Yan, Lixin; Tian, Qili; Zhou, Zheng; Wang, Dong; Huang, Wenhui; Gai, Wei; Tang, Chuanxiang; Konoplev, I. V.; Zhang, H.; Doucas, G.

    2018-01-01

    Generation of coherent Smith-Purcell (cSPr) and transition/diffraction radiation using a single bunch or a pre-modulated relativistic electron beam is one of the growing research areas aiming at the development of radiation sources and beam diagnostics for accelerators. We report the results of comparative experimental studies of terahertz radiation generation by an electron bunch and micro-bunched electron beams and the spectral properties of the coherent transition and SP radiation. The properties of cSPr spectra are investigated and discussed, and excitations of the fundamental and second harmonics of cSPr and their dependence on the beam-grating separation are shown. The experimental and theoretical results are compared, and good agreement is demonstrated.

  11. Combined Effects of Feedforward Inhibition and Excitation in Thalamocortical Circuit on the Transitions of Epileptic Seizures

    Science.gov (United States)

    Fan, Denggui; Duan, Lixia; Wang, Qian; Luan, Guoming

    2017-01-01

    The mechanisms underlying electrophysiologically observed two-way transitions between absence and tonic-clonic epileptic seizures in cerebral cortex remain unknown. The interplay within thalamocortical network is believed to give rise to these epileptic multiple modes of activity and transitions between them. In particular, it is thought that in some areas of cortex there exists feedforward inhibition from specific relay nucleus of thalamus (TC) to inhibitory neuronal population (IN) which has even more stronger functions on cortical activities than the known feedforward excitation from TC to excitatory neuronal population (EX). Inspired by this, we proposed a modified computational model by introducing feedforward inhibitory connectivity within thalamocortical circuit, to systematically investigate the combined effects of feedforward inhibition and excitation on transitions of epileptic seizures. We first found that the feedforward excitation can induce the transition from tonic oscillation to spike and wave discharges (SWD) in cortex, i.e., the epileptic tonic-absence seizures, with the fixed weak feedforward inhibition. Thereinto, the phase of absence seizures corresponding to strong feedforward excitation can be further transformed into the clonic oscillations with the increasing of feedforward inhibition, representing the epileptic absence-clonic seizures. We also observed the other fascinating dynamical states, such as periodic 2/3/4-spike and wave discharges, reversed SWD and clonic oscillations, as well as saturated firings. More importantly, we can identify the stable parameter regions representing the tonic-clonic oscillations and SWD discharges of epileptic seizures on the 2-D plane composed of feedforward inhibition and excitation, where the physiologically plausible transition pathways between tonic-clonic and absence seizures can be figured out. These results indicate the functional role of feedforward pathways in controlling epileptic seizures and

  12. Combined Effects of Feedforward Inhibition and Excitation in Thalamocortical Circuit on the Transitions of Epileptic Seizures

    Directory of Open Access Journals (Sweden)

    Denggui Fan

    2017-07-01

    Full Text Available The mechanisms underlying electrophysiologically observed two-way transitions between absence and tonic-clonic epileptic seizures in cerebral cortex remain unknown. The interplay within thalamocortical network is believed to give rise to these epileptic multiple modes of activity and transitions between them. In particular, it is thought that in some areas of cortex there exists feedforward inhibition from specific relay nucleus of thalamus (TC to inhibitory neuronal population (IN which has even more stronger functions on cortical activities than the known feedforward excitation from TC to excitatory neuronal population (EX. Inspired by this, we proposed a modified computational model by introducing feedforward inhibitory connectivity within thalamocortical circuit, to systematically investigate the combined effects of feedforward inhibition and excitation on transitions of epileptic seizures. We first found that the feedforward excitation can induce the transition from tonic oscillation to spike and wave discharges (SWD in cortex, i.e., the epileptic tonic-absence seizures, with the fixed weak feedforward inhibition. Thereinto, the phase of absence seizures corresponding to strong feedforward excitation can be further transformed into the clonic oscillations with the increasing of feedforward inhibition, representing the epileptic absence-clonic seizures. We also observed the other fascinating dynamical states, such as periodic 2/3/4-spike and wave discharges, reversed SWD and clonic oscillations, as well as saturated firings. More importantly, we can identify the stable parameter regions representing the tonic-clonic oscillations and SWD discharges of epileptic seizures on the 2-D plane composed of feedforward inhibition and excitation, where the physiologically plausible transition pathways between tonic-clonic and absence seizures can be figured out. These results indicate the functional role of feedforward pathways in controlling epileptic

  13. Use of spectra from foil-excited heavy-ion beams to interpret radiation from plasmas

    International Nuclear Information System (INIS)

    Johnson, B.M.

    1978-01-01

    Spectra from foil-excited heavy ion beams can be used to investigate the relative abundance and charge state composition of heavy metal contaminants which cause severe radiative energy losses in tokamak-produced plasmas. The degree of ionization of these metals in the tokamak plasma is not well known because of uncertainties in ionization and recombination rates and particle confinement times. Only a few stages of ionization are typically prominent in foil-excited spectra, however, and both the most probable charge state and distribution width are well known. Highly ionized heavy ions (e.g., Ti, Mo, W and Au) which span the range of charge states found in present tokamaks were produced by passing beams from the Brookhaven MP tandem Van de Graaff accelerator facility through 20 μg/cm 2 carbon stripping foils. EUV radiation was recorded with a grazing incidence spectrometer. Comparisons of the beam-foil spectra with radiation from plasmas, and recent direct determinations of atomic oscillator strengths for principal resonance lines of such highly ionized species as Li-like iron (Fe 23+ ), Na-like bromine (Br 24+ ), and Cu-like iodine (I 24+ ) are discussed

  14. 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

  15. Blackbody radiation shift of the Ga+ clock transition

    International Nuclear Information System (INIS)

    Cheng, Yongjun; Mitroy, J

    2013-01-01

    The blackbody radiation shift of the Ga + clock transition is computed to be −0.0140 ± 0.0062 Hz at 300 K. The small shift is consistent with the blackbody radiation shifts of the clock transitions of other group III ions which are of a similar size. The polarizabilities of the Ga + states were computed using the configuration interaction method with an underlying semi-empirical core potential. Quadrupole and non-adiabatic dipole polarizabilities were also computed. A byproduct of the analysis involved calculations of the low-lying spectrum and oscillator strengths, including polarizabilities, of the Ga 2+ ion. (paper)

  16. Excitation mechanisms of 2s1/2-2p3/2 and 2p1/2-2p3/2 transitions in U82+ through U89+

    International Nuclear Information System (INIS)

    Decaux, V.; Beiersdorfer, P.; Osterheld, A.

    1994-01-01

    A model based on detailed calculations of the electron-impact excitation of n = 2 electrons in the Li- to Ne-like uranium ions was developed to interpret and explain measurements on EBIT (Electron Beam Ion Trap). While only considering the direct excitation process provided a good model for the electric dipole (El) transitions, it was necessary for the magnetic dipole (Ml) spectrum to include various additional excitation processes in the model. In particular, the model was expanded to include electron-impact excitation of n = 3 levels followed by radiative cascades. Moreover, excitation by the ionization of 2s 1/2 , 2p 1/2 , and 2p 3/2 electrons and by radiative capture of beam electrons into excited levels was added. The new model demonstrates that the dipole-forbidden lines are almost exclusively produced by indirect excitation processes

  17. Inner-shell excitation and site specific fragmentation of poly(methylmethacrylate) thin film

    Science.gov (United States)

    Tinone, Marcia C. K.; Tanaka, Kenichiro; Maruyama, Junya; Ueno, Nobuo; Imamura, Motoyasu; Matsubayashi, Nobuyuki

    1994-04-01

    Soft x-ray excitations in the 250-600 eV photon energy range on poly(methylmethacrylate) (PMMA) result in ionic fragmentation of the original polymer with the most intense ions corresponding to CH+3, H+, CH+2, CH+, CHO+, and COOCH+3. The photon energy dependence of ion desorption from thin films of PMMA was measured to investigate the primary steps in radiation induced decomposition following carbon and oxygen 1s electron excitations using monochromatic pulsed-synchrotron radiation. It was clearly found that the decomposition depends on the nature of the electronic states created in the excited species. The fragmentation pattern changes depending on the transitions of the 1s electron to a Rydberg orbital, an unoccupied molecular orbital or the ionization continuum. Moreover, the fragmentation occurs specifically around the site of the atom where the optical excitation takes place. Excitations from carbon and oxygen 1s to σ* states seem to be specially efficient for ion production as observed in the case of CH+3, CH+2, and CH+ at 288.7 and 535.6 eV, and in the case of CHO+ at 539.3 eV.

  18. Spectroscopy at the two-proton drip line: Excited states in 158W

    Directory of Open Access Journals (Sweden)

    D.T. Joss

    2017-09-01

    Full Text Available Excited states have been identified in the heaviest known even-Z N=84 isotone 158W, which lies in a region of one-proton emitters and the two-proton drip line. The observation of γ-ray transitions feeding the ground state establishes the excitation energy of the yrast 6+ state confirming the spin-gap nature of the α-decaying 8+ isomer. The 8+ isomer is also expected to be unbound to two-proton emission but no evidence for this decay mode was observed. An upper limit for the two-proton decay branch has been deduced as b2p≤ 0.17% at the 90% confidence level. The possibility of observing two-proton emission from multiparticle isomers in nearby nuclides is considered.

  19. Spectroscopy at the two-proton drip line: Excited states in 158W

    Science.gov (United States)

    Joss, D. T.; Page, R. D.; Herzán, A.; Donosa, L.; Uusitalo, J.; Carroll, R. J.; Darby, I. G.; Andgren, K.; Cederwall, B.; Eeckhaudt, S.; Grahn, T.; Greenlees, P. T.; Hadinia, B.; Jakobsson, U.; Jones, P. M.; Julin, R.; Juutinen, S.; Leino, M.; Leppanen, A.-P.; Nyman, M.; O'Donnell, D.; Pakarinen, J.; Rahkila, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Seweryniak, D.; Simpson, J.; Sorri, J.

    2017-09-01

    Excited states have been identified in the heaviest known even-Z N = 84 isotone 158W, which lies in a region of one-proton emitters and the two-proton drip line. The observation of γ-ray transitions feeding the ground state establishes the excitation energy of the yrast 6+ state confirming the spin-gap nature of the α-decaying 8+ isomer. The 8+ isomer is also expected to be unbound to two-proton emission but no evidence for this decay mode was observed. An upper limit for the two-proton decay branch has been deduced as b2p ≤ 0.17% at the 90% confidence level. The possibility of observing two-proton emission from multiparticle isomers in nearby nuclides is considered.

  20. Particle identification via transition radiation and detectors

    International Nuclear Information System (INIS)

    Egorytchev, V.; Saveliev, V.; Aplin, S.J.

    2000-01-01

    Transition radiation detectors show great promise for the purposes of lepton identification in existing and future experiments in high-energy physics such as HERA-B, ATLAS, ALICE in high-luminosity environment. More high performance can be expected in low-luminosity conditions - neutrino experiments (NOMAD), and ideal condition for the use of transition radiation detectors in flying and space high-energy experiments (AMS). This paper discusses the practical theory of transition radiation, basic equation and algorithm suitable for detailed analysis of transition radiation and optimization of transition radiation detectors in the area of experimental high-energy physics. The results are based on detailed Monte Carlo simulation of transition radiation introduced in GEANT and experimental results

  1. Particle identification via transition radiation and detectors

    CERN Document Server

    Egorytchev, V; Aplin, S J

    2000-01-01

    Transition radiation detectors show great promise for the purposes of lepton identification in existing and future experiments in high- energy physics such as HERA-B, ATLAS, ALICE in high-luminosity environment. More high performance can be expected in low-luminosity conditions-neutrino experiments (NOMAD), and the ideal condition for the use of transition radiation detectors in flying and space high- energy experiments (AMS). This paper discusses the practical theory of transition radiation, basic equation and algorithm suitable for detailed analysis of transition radiation and optimization of transition radiation detectors in the area of experimental high- energy physics. The results are based on detailed Monte Carlo simulation of transition radiation introduced in GEANT and experimental results. (12 refs).

  2. Millimeterwave spectroscopy of active laser plasmas; the excited vibrational states of HCN

    International Nuclear Information System (INIS)

    De Lucia, F.C.; Helminger, P.A.

    1977-01-01

    Millimeter and submillimeter microwave techniques have been used for the spectroscopic study of an HCN laser plasma. Forty-seven rotational transitions in 12 excited vibrational states have been observed. Numerous rotational, vibrational, and perturbation parameters have been calculated from these data. A discussion of experimental techniques is included

  3. Stimulated coherent transition radiation

    International Nuclear Information System (INIS)

    Hung-chi Lihn.

    1996-03-01

    Coherent radiation emitted from a relativistic electron bunch consists of wavelengths longer than or comparable to the bunch length. The intensity of this radiation out-numbers that of its incoherent counterpart, which extends to wavelengths shorter than the bunch length, by a factor equal to the number of electrons in the bunch. In typical accelerators, this factor is about 8 to 11 orders of magnitude. The spectrum of the coherent radiation is determined by the Fourier transform of the electron bunch distribution and, therefore, contains information of the bunch distribution. Coherent transition radiation emitted from subpicosecond electron bunches at the Stanford SUNSHINE facility is observed in the far-infrared regime through a room-temperature pyroelectric bolometer and characterized through the electron bunch-length study. To measure the bunch length, a new frequency-resolved subpicosecond bunch-length measuring system is developed. This system uses a far-infrared Michelson interferometer to measure the spectrum of coherent transition radiation through optical autocorrelation with resolution far better than existing time-resolved methods. Hence, the radiation spectrum and the bunch length are deduced from the autocorrelation measurement. To study the stimulation of coherent transition radiation, a special cavity named BRAICER is invented. Far-infrared light pulses of coherent transition radiation emitted from electron bunches are delayed and circulated in the cavity to coincide with subsequent incoming electron bunches. This coincidence of light pulses with electron bunches enables the light to do work on electrons, and thus stimulates more radiated energy. The possibilities of extending the bunch-length measuring system to measure the three-dimensional bunch distribution and making the BRAICER cavity a broadband, high-intensity, coherent, far-infrared light source are also discussed

  4. 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

  5. Several problems of the theory of transition radiation and transition scattering

    International Nuclear Information System (INIS)

    Ginzburg, V.L.; Tsytovich, V.N.

    1979-01-01

    The process of transition radiation is a very general one. It appears if some source, which does not have a proper frequency (for example a point charge, multipole etc), is moving with a constant velocity in an inhomogeneous and/or nonstationary medium. In the case of a periodic medium the transition radiation has some special peculiarities and is called the resonance transition radiation or transition scattering. Transition scattering occurs particularly in the case when some wave of dielectric permittivity acts on a nonmoving (fixed) charge. The processes of transition radiation and transition scattering have analogies outside electrodynamics similarly to the Vavilov-Cherenkov emission. The latter occurs also for a source moving with a constant velocity but in a homogeneous medium (and only if the velocity of the source exceeds the wave phase velocity in the medium). The present review is dealing with several problems of the theory of transition radiation and transition scattering. Attention is paid mainly to the formulation of the problems and to revealing characterisic features and peculiarities of the phenomena described. (Auth.)

  6. Laboratory characterization and astrophysical detection of vibrationally excited states of vinyl cyanide in Orion-KL

    Science.gov (United States)

    López, A.; Tercero, B.; Kisiel, Z.; Daly, A. M.; Bermúdez, C.; Calcutt, H.; Marcelino, N.; Viti, S.; Drouin, B. J.; Medvedev, I. R.; Neese, C. F.; Pszczółkowski, L.; Alonso, J. L.; Cernicharo, J.

    2014-12-01

    Context. We perform a laboratory characterization in the 18-1893 GHz range and astronomical detection between 80-280 GHz in Orion-KL with IRAM-30 m of CH2CHCN (vinyl cyanide) in its ground and vibrationally excited states. Aims: Our aim is to improve the understanding of rotational spectra of vibrationally excited vinyl cyanide with new laboratory data and analysis. The laboratory results allow searching for these excited state transitions in the Orion-KL line survey. Furthermore, rotational lines of CH2CHCN contribute to the understanding of the physical and chemical properties of the cloud. Methods: Laboratory measurements of CH2CHCN made on several different frequency-modulated spectrometers were combined into a single broadband 50-1900 GHz spectrum and its assignment was confirmed by Stark modulation spectra recorded in the 18-40 GHz region and by ab-initio anharmonic force field calculations. For analyzing the emission lines of vinyl cyanide detected in Orion-KL we used the excitation and radiative transfer code (MADEX) at LTE conditions. Results: Detailed characterization of laboratory spectra of CH2CHCN in nine different excited vibrational states: ν11 = 1, ν15 = 1, ν11 = 2, ν10 = 1 ⇔ (ν11 = 1,ν15 = 1), ν11 = 3/ν15 = 2/ν14 = 1, (ν11 = 1,ν10 = 1) ⇔ (ν11 = 2,ν15 = 1), ν9 = 1, (ν11 = 1,ν15 = 2) ⇔ (ν10 = 1,ν15 = 1) ⇔ (ν11 = 1,ν14 = 1), and ν11 = 4 are determined, as well as the detection of transitions in the ν11 = 2 and ν11 = 3 states for the first time in Orion-KL and of those in the ν10 = 1 ⇔ (ν11 = 1,ν15 = 1) dyad of states for the first time in space. The rotational transitions of the ground state of this molecule emerge from four cloud components of hot core nature, which trace the physical and chemical conditions of high mass star forming regions in the Orion-KL Nebula. The lowest energy vibrationally excited states of vinyl cyanide, such as ν11 = 1 (at 328.5 K), ν15 = 1 (at 478.6 K), ν11 = 2 (at 657.8 K), the ν10

  7. Theoretical spectroscopic studies of the atomic transitions and lifetimes of low-lying states in Ti IV

    International Nuclear Information System (INIS)

    Mandal, Subhasish; Dixit, Gopal; Majumder, Sonjoy; Sahoo, B K; Chaudhuri, R K

    2008-01-01

    The astrophysically important electric quadrupole (E2) and magnetic dipole (M1) transitions for the low-lying states of triply ionized titanium (Ti IV) are calculated very accurately using a state-of-the-art all-order many-body theory called coupled cluster (CC) method in the relativistic framework. Different many-body correlations of the CC theory has been estimated by studying the core and valence electron excitations to the unoccupied states. The calculated excitation energies of different states are in excellent agreement with the measurements. Also, we compare our calculated electric dipole (E1) amplitudes of few transitions with recent many-body calculations by others. The lifetimes of the low-lying states of Ti IV have been estimated and long lifetime is found for the first excited 3d 2 D 5/2 state, which suggested that Ti IV may be one of the useful candidates for many fundamental studies of physics. Most of the forbidden transition results reported here are not available in the literature, to the best of our knowledge

  8. 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.

  9. Isospin quantum number and structure of the excited states in halo nuclei. Halo-isomers

    International Nuclear Information System (INIS)

    Izosimov, I.N.

    2015-01-01

    It has been shown that isobar-analog (IAS), double isobar-analog (DIAS), configuration (CS), and double configuration states (DCS) can simultaneously have n-n, n-p, and p-p halo components in their wave functions. Differences in halo structure of the excited and ground states can result in the formation of isomers (halo-isomers). Both the Borromean and tango halo types can be observed for n-p configurations of atomic nuclei. The structure of the ground and excited states with different isospin quantum number in halo-like nuclei is discussed. B(Mλ) and B(Eλ) for γ-transitions in 6-8 Li, 8-10 Be, 8,10,11 B, 10-14 C, 13-17 N, 15-17,19 O, and 17 F are analyzed. Special attention is given to nuclei whose ground state does not exhibit halo structure, but the excited state may have one.

  10. Sensitive lifetime measurement of excited states of {sup 98}Ru via the (p,p{sup '}γ) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Vielmetter, Vera; Hennig, Andreas; Derya, Vera; Pickstone, Simon G.; Prill, Sarah; Spieker, Mark; Zilges, Andreas [Institute for Nuclear Physics, University of Cologne (Germany); Petkov, Pavel [Institute for Nuclear Physics, University of Cologne (Germany); INRNE, Bulgarian Academy of Sciences, Sofia (Bulgaria); National Institute for Physics and Nuclear Engineering, Bucharest-Magurele (Romania)

    2016-07-01

    The one-phonon mixed-symmetry quadrupole excitation 2{sup +}{sub ms} is a well established excitation mode in near-spherical nuclei, especially in the A ∼ 100 mass region. However, it is largely unknown how mixed-symmetry states evolve along shape-transitional paths, e.g. from spherical to deformed shapes. The chain of stable ruthenium isotopes is well suited for this study since it exhibits a smooth transition from spherical ({sup 96,98}Ru) to deformed shapes ({sup 104}Ru). To identify the 2{sup +}{sub ms} state of {sup 98}Ru on the basis of absolute M1 and E2 transition strengths, we performed a proton-scattering experiment on {sup 98}Ru using the SONIC rate at HORUS setup at the University of Cologne. Lifetimes of excited states were measured via the Doppler-shift attenuation method (DSAM), which benefits from the acquired pγ-coincidence data. First results of this experiment are presented and compared to the neighbouring nuclei {sup 96}Ru and {sup 100}Ru.

  11. Identification and origin of visible transitions in one dimensional (1D) ZnO nanostructures: Excitation wavelength and morphology dependence study

    Energy Technology Data Exchange (ETDEWEB)

    Baral, Arpit [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Khanuja, Manika, E-mail: manikakhanuja@gmail.com [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Islam, S.S. [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Sharma, Rishabh; Mehta, B.R. [Indian Institute of Technology Delhi, New Delhi 110016 (India)

    2017-03-15

    In this present work, one dimensional (1D) ZnO nanostructures were synthesized by mechanical assisted thermal decomposition process. The samples were characterized by transmission electron microscopy (TEM) for morphology, high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) for structural characterization. Photoluminescence (PL) and Photoluminescence spectra evolution was studied as a function of (i) excitation wavelength (λ{sub Ex:} 310–370 nm) and (ii) morphology (nanoneedles and nanorods). PL spectra were observed to be highly asymmetric with strong dependence on excitation wavelength (λ{sub Ex}). PL spectra categorized into two types as a function of excitation wavelength (λ{sub Ex}): I. λ{sub Ex}≤345 nm and II. λ{sub Ex}≥350 nm. The PL spectra were deconvoluted into multiple Gaussian components for each excitation wavelength. The position of each component is a signature of its origin and corresponds to specific visible transition. The transition involving origin from conduction band (CB) are absent for excitation wavelength λ{sub Ex}≥350 nm. The tunable photoresponse is achieved in 1D ZnO nanostructures by varying (i) excitation wavelength and (ii) morphology: nanoneedles to nanorods. PL intensity increases as aspect ratio decrease from nanoneedles to nanorods morphology. This is attributed to non-radiative quenching by near surface defects.

  12. Role of entropy and structural parameters in the spin-state transition of LaCoO3

    Science.gov (United States)

    Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

    2017-11-01

    The spin-state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent density functional theory + embedded dynamical mean field theory (DFT+DMFT). We show from first principles that LaCoO3 cannot be described by a single, pure spin state at any temperature. Instead, we observe a gradual change in the population of higher-spin multiplets with increasing temperature, with the high-spin multiplets being excited at the onset of the spin-state transition followed by the intermediate-spin multiplets being excited at the metal-insulator-transition temperature. We explicitly elucidate the critical role of lattice expansion and oxygen octahedral rotations in the spin-state transition. We also reproduce, from first principles, that the spin-state transition and the metal-insulator transition in LaCoO3 occur at different temperature scales. In addition, our results shed light on the importance of electronic entropy in driving the spin-state transition, which has so far been ignored in all first-principles studies of this material.

  13. Nuclear transitions induced by atomic excitations

    International Nuclear Information System (INIS)

    Dyer, P.; Bounds, J.A.; Haight, R.C.; Luk, T.S.

    1988-01-01

    In the two-step pumping scheme for a gamma-ray laser, an essential step is that of exciting the nucleus from a long-lived storage isomer to a nearby short- lived state that then decays to the upper lasing level. An experiment is in progress to induce this transfer by first exciting the atomic electrons with UV photons. The incident photons couple well to the electrons, which then couple via a virtual photon to the nucleus. As a test case, excitation of the 235 U nucleus is being sought, using a high- brightness UV laser. The excited nuclear state, having a 26- minute half-life, decays by internal conversion, resulting in emission of an atomic electron. A pulsed infrared laser produces an atomic beam of 235 U which is then bombarded by the UV laser beam. Ions are collected, and conversion electrons are detected by a channel electron multiplier. In preliminary experiments, an upper limit of 7 x 10 -5 has been obtained for the probability of exciting a 235 U atom in the UV beam for one picosecond at an intensity of about 10 15 W/cm 2 . Experiments with higher sensitivities and at higher UV beam intensities are underway

  14. Multiple photoionization from 3p excitation of Kr and 4p excitation of Xe

    International Nuclear Information System (INIS)

    Hayaishi, T.

    1986-01-01

    The photoionization cross sections for multiply charged ions produced by 3p excitation of Kr and 4p excitation of Xe have been obtained by means of a time-of-flight mass spectrometer and synchrotron radiation. It is found that the main formation of doubly to quadruply charged ions in both Kr and Xe is caused from the each initial p-hole state through a Coster-Kronig transition followed by Auger of double Auger processes. The formation of singly charged ions in these excitation energy regions is caused by direct photoionization from outermost shell electrons in both Kr and Xe. Triply charged ions are prominently produced among the multiply charged ions. The quadruple photoionization cross sections show clearly the structures due to the Rydberg series, 3p -1 nl of Kr and 4p -1 nl of Xe. Their main structures were assigned to the 3p -1 nd series in Kr and the 4p -1 nd series in Xe. (orig.)

  15. Excited state intramolecular charge transfer reaction in binary mixtures of water and tertiary butanol (TBA): alcohol mole fraction dependence.

    Science.gov (United States)

    Pradhan, Tuhin; Ghoshal, Piue; Biswas, Ranjit

    2008-02-07

    The excited state intramolecular charge transfer reaction of 4-(1-azetidinyl)benzonitrile (P4C) has been studied in water-tertiary butanol (TBA) mixtures at different alcohol mole fractions by using steady state and time-resolved fluorescence spectroscopy. The ratio between the areas under the locally excited (LE) and charge transferred (CT) emission bands is found to exhibit a sharp rise at alcohol mole fraction approximately 0.04, a value at which several thermodynamic properties of this mixture is known to show anomalous change due to the enhancement of H-bonding network. The radiative rate associated with the LE emission also shows a maximum at this TBA mole fraction. Although the structural transition from the water-like tetrahedral network to the alcohol-like chain is reflected in the red shift of the absorption spectrum up to TBA mole fraction approximately 0.10, the emission bands (both LE and CT) show the typical nonideal alcohol mole fraction dependence at all TBA mole fractions. Quantum yield, CT radiative rate as well as transition moments also exhibit a nonideal alcohol mole fraction dependence. The time-resolved emission decay of P4C has been found to be biexponential at all TBA mole fractions, regardless of emission collection around either the LE or the CT bands. The time constant associated with the slow component (tau(slow)) shows a minimum at TBA mole fraction approximately 0.04, whereas such a minimum for the fast time constant, tau(fast) (representing the rate of LE --> CT conversion reaction) is not observed. The nonobservation of the minimum in tau(fast) might be due to the limited time resolution employed in our experiments.

  16. An excited state underlies gene regulation of a transcriptional riboswitch

    Science.gov (United States)

    Zhao, Bo; Guffy, Sharon L.; Williams, Benfeard; Zhang, Qi

    2017-01-01

    Riboswitches control gene expression through ligand-dependent structural rearrangements of the sensing aptamer domain. However, we found that the Bacillus cereus fluoride riboswitch aptamer adopts identical tertiary structures in solution with and without ligand. Using chemical exchange saturation transfer (CEST) NMR spectroscopy, we revealed that the structured ligand-free aptamer transiently accesses a low-populated (~1%) and short-lived (~3 ms) excited conformational state that unravels a conserved ‘linchpin’ base pair to signal transcription termination. Upon fluoride binding, this highly localized fleeting process is allosterically suppressed to activate transcription. We demonstrated that this mechanism confers effective fluoride-dependent gene activation over a wide range of transcription rates, which is essential for robust toxicity response across diverse cellular conditions. These results unveil a novel switching mechanism that employs ligand-dependent suppression of an aptamer excited state to coordinate regulatory conformational transitions rather than adopting distinct aptamer ground-state tertiary architectures, exemplifying a new mode of ligand-dependent RNA regulation. PMID:28719589

  17. Radiative width of molecular-cluster states

    International Nuclear Information System (INIS)

    Alhassid, Y.; Gai, M.; Bertsch, G.F.

    1982-01-01

    Molecular states are characterized by enhanced electromagnetic deexcitations of many different multipolarities. The expected enhancement of E1, E2, and E3 transitions is examined by deriving molecular sum rules for radiative deexcitation widths and via a dimensionality approach. The enhancement of the E1 transitions is the most striking

  18. Resonant influence of a longitudinal hypersonic field on the radiation from channeled electrons

    International Nuclear Information System (INIS)

    Grigoryan, L.Sh.; Mkrtchyan, A.R.; Mkrtchyan, A.H.; Khachatryan, H.F.; Prade, H.; Wagner, W.; Piestrup, M.A.

    2001-01-01

    The wave function of a planar/axially channeled electron with energy 10 MeV≤E<<1 GeV under the influence of a longitudinal hypersonic wave excited in a single crystal is calculated. Conditions for the resonant influence of the hypersonic wave on the quantum state of the channeled electron are deduced. Expressions for the wave function that are applicable in the case of resonance are obtained. Angular and spectral distributions of the radiation intensity from the planar/axially channeled electron are also calculated. The possibility of significant amplification of channeling radiation by a hypersonic wave is substantiated. It is found that the hypersound can excite inverse radiative transitions through which the transversal energy of the channeled electron is increased. These transitions have a resonant nature and can lead to a considerable intensification of the electron channeling radiation. In the case of axial channeling, the resonance radiation is sustained also by direct radiative transitions of the electron

  19. Optical excitations of transition-metal oxides under the orbital multiplicity effects

    International Nuclear Information System (INIS)

    Lee, J S; Kim, M W; Noh, T W

    2005-01-01

    We investigated optical excitations of transition-metal (TM) oxides with metal oxygen octahedra taking account of the orbital multiplicity effects. We predicted excitation energies of intersite d-d transitions and p-d transitions of TM oxides. We compared the evaluated excitation energies with reported experimental data, and found that they are in good agreement with each other. Moreover, we could demonstrate possible answers for a few long-standing problems of the low-frequency spectral features in some early 3d TM oxides: (i) the broad and multi-peak structures of the d-d transitions (ii) the low values (around 2 eV) of the d-d transition energies for some t 2g 1 and t 2g 2 systems, and (iii) the lack of the d-d transition below 4.0 eV region for LaCrO 3 , one of the t 2g 3 systems. These indicate that our approach considering the orbital multiplicity effects could provide good explanations of intriguing features in the optical spectra of some early TM oxides. In addition, we showed that optical spectroscopy can be useful as a powerful tool to investigate spin and/or orbital correlations in the TM ions. Finally, we discussed the implications of the orbital multiplicity in the Zannen-Sawatzky-Allen scheme, which has been used successfully to classify correlated electron systems

  20. Study of excited states in 48Ti, 49Ti and 50Ti by means of radiative neutron capture

    International Nuclear Information System (INIS)

    Ruyl, J.F.A.G.

    1983-12-01

    The γ radiation produced by thermal neutron capture in a natural Ti target and in enriched 47 Ti and 49 Ti targets has been investigated. In the analysis 57 excited states of 48 Ti, 28 of 49 Ti and 31 of 50 Ti have been identified. The values for the 48 Ti and 49 Ti neutron binding energy agree with previous data, the value for 50 Ti differs by five standard deviations. The nature of the neutron capture mechanism has been investigated by comparing the present results with those from previous (d,p) work. It appears that in 47 Ti capture proceeds through a doorway state and that the potential capture mechanism is valid for 48 Ti and 49 Ti. The Fermi gas model gives a good representation of the nuclear level density in all three nuclei. From a measurement of the γ-ray circular polarization resulting from the capture of polarized neutrons, combined with previous (d,p) work, the spins of five 49 Ti levels could be determined, and those of 13 other 49 Ti levels could be confirmed. The combination of nuclear orientation measurements and circular polarization measurements had yielded the unambiguous determination of the spins of one 48 Ti state and of five 50 Ti states. Further spin and parity determinations for six 48 Ti and for five 50 Ti states have been obtained from the analysis of the identified branches together with the results of previous experiments. Shell-model calculations, which yielded excitation energies, branching ratios, lifetimes and (d,p) spectroscopic factors, give a good representation of the experimental data for the low-lying states in both even-even nuclei. (Auth.)

  1. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO) 2I 2 complex

    Science.gov (United States)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-11-01

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [ trans-I-Ru(dcbpy)(CO) 2I 2] (dcbpy= 4,4 '-dicarboxy-2,2 '-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [ cis-I-Ru(dcbpy)(CO)(Sol)I 2] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

  2. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO)2I2 complex

    International Nuclear Information System (INIS)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-01-01

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO) 2 I 2 ] (dcbpy4,4 ' -dicarboxy-2,2 ' -bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I 2 ] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1 ) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes

  3. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-01

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

  5. 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.

  6. New developments on transition radiation detectors using superconducting granules

    International Nuclear Information System (INIS)

    Yuan, L.C.L.

    1977-01-01

    By raising slightly either the temperature or the magnetic field to above that of the critical temperature or the critical magnetic field, the type I superconducting granules would still remain in the superconducting state which becomes a metastable state and is called the superheated superconducting state. If a relativistic charged particle incident on such a granule which is located in a colloidal suspension has imported to it an energy that is above the threshold energy (for state flipping) of the granule then it would flip to the normal state. The threshold energy of a granule is a function of the square of its radius, whereas the energy loss of a charged particle due to ionization is linearly proportional to the radius. The size of the granule can be pre-determined to be such that its threshold energy is slightly above the ionization loss of a relativistic charged particle. Then the traversal of the charged particle through such a granule would not affect the superconducting state of the granule unless a transition x-ray radiation is emitted at the surface of the granule by the traversing particle and the x-ray transition radiation is immediately absorbed either in total or partially by the metallic granule causing it to flip to the normal state. The total intensity of the x-ray transition radiation is linearly proportional to the Lorentz factor γ of the traversing particle, and the number of granules flipped would also be a measure of γ. Three methods for detecting the flipping of granules from the superconducting state to the normal state are described. They include the frequency measuring method, the SQUID method, and the pulse method with low noise amplifier system

  7. New results for double-beta decay of 100Mo to excited final states of 100Ru using the TUNL-ITEP apparatus

    International Nuclear Information System (INIS)

    Kidd, M.F.; Esterline, J.H.; Tornow, W.; Barabash, A.S.; Umatov, V.I.

    2009-01-01

    The coincidence detection efficiency of the TUNL-ITEP apparatus designed for measuring half-life times of two-neutrino double-beta (2νββ) decay transitions to excited final states in daughter nuclei has been measured with a factor of 2.4 improved accuracy. In addition, the previous measuring time of 455 days for the study of the 100 Mo 2νββ decay to the first excited 0 1 + state in 100 Ru has been increased by 450 days, and a new result (combined with the previous measurement obtained with the same apparatus) for this transition is presented: T 1/2 =[5.5 -0.8 +1.2 (stat)±0.3(syst)]x10 20 yr. Measured 2νββ decay half-life times to excited states can be used to test the reliability of nuclear matrix element calculations needed for determining the effective neutrino mass from zero-neutrino double-beta decay data. We also present new limits for transitions to higher excited states in 100 Ru which, if improved, may be of interest for more exotic conjectures, like a bosonic component to neutrino statistics.

  8. 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....

  9. 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....

  10. Selective reflection of resonance radiation from excited media

    International Nuclear Information System (INIS)

    Veklenko, B.A.; Gusarov, R.B.; Sherkunov, Yu.B.

    1998-01-01

    According to quantum electrodynamics, the cross section for resonant scattering of radiation on an aggregate of excited atoms can be written as a sum of positive definite terms. This type of structure is not consistent with the Fresnel formulas for the reflection coefficient of radiation from thermally excited media. The difference shows up on a macroscopic level and indicates that semiclassical radiation theory cannot be used. A study of the correlation between elastic scattering and stimulated emission processes clarifies the reason for the discrepancies. The resulting singularities require summing of Feynman diagrams which appear beginning in the sixth order of perturbation theory. A lower bound estimate for the reflection coefficient from a plane layer is given, including processes which violate the statistics of radiation. The contribution of stimulated emission processes caused by the initially scattered photon are examined specifically. An experiment is proposed which would settle the choice of theories

  11. High-resolution two-photon spectroscopy of a 5 p56 p ←5 p6 transition of xenon

    Science.gov (United States)

    Altiere, Emily; Miller, Eric R.; Hayamizu, Tomohiro; Jones, David J.; Madison, Kirk W.; Momose, Takamasa

    2018-01-01

    We report high-resolution Doppler-free two-photon excitation spectroscopy of Xe from the ground state to the 5 p5(P 3 /2 2 ) 6 p [3 /2 ] 2 2 electronic excited state. This is a first step to developing a comagnetometer using polarized 129Xe atoms for planned neutron electric dipole moment measurements at TRIUMF. Narrow linewidth radiation at 252.5 nm produced by a continuous wave laser was built up in an optical cavity to excite the two-photon transition, and the near-infrared emission from the 5 p56 p excited state to the 5 p56 s intermediate electronic state was used to detect the two-photon transition. Hyperfine constants and isotope shift parameters were evaluated and compared with previously reported values. In addition, the detected photon count rate was estimated from the observed intensities.

  12. 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)

  13. Theory of coherent transition radiation generated at a plasma-vacuum interface

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, Carl B.; Esarey, Eric; van Tilborg, Jeroen; Leemans, Wim P.

    2003-06-26

    Transition radiation generated by an electron beam, produced by a laser wakefield accelerator operating in the self-modulated regime, crossing the plasma-vacuum boundary is considered. The angular distributions and spectra are calculated for both the incoherent and coherent radiation. The effects of the longitudinal and transverse momentum distributions on the differential energy spectra are examined. Diffraction radiation from the finite transverse extent of the plasma is considered and shown to strongly modify the spectra and energy radiated for long wavelength radiation. This method of transition radiation generation has the capability of producing high peak power THz radiation, of order 100 (mu)J/pulse at the plasma-vacuum interface, which is several orders of magnitude beyond current state-of-the-art THz sources.

  14. Electron capture into excited states of multi-charged ions

    International Nuclear Information System (INIS)

    Dijkkamp, D.

    1985-01-01

    This thesis deals with charge exchange reactions in slow collisions of multi-charged ions with neutral atoms or molecules. These reactions proceed very efficiently via a curve crossing mechanism, which leads to preferential population of excited states of the ion. The subsequent decay of these states leads to the emission of characteristic radiation. From wavelength resolved measurements of the absolute intensity of this radiation, cross sections for selective population of the excited (n,l-) states of the ion were determined. In addition, for some systems the total capture cross section was measured directly by means of charge state analysis of the secondary projectile ions. The role of charge exchange processes in fusion plasmas and in astrophysical plasmas is indicated. An experimental set-up is described with emphasis on the Electron Cyclotron Resonance Ion Source that was used in the experiments. Results for collisions of C 6+ , N 6+ , O 6+ and Ne 6+ with He, H 2 and Ar are presented as well as for electron capture from Li atoms by C 4+ and He 2+ . The interaction of the iso-electronic sequence C 4+ , N 5+ , O 6+ with atomic hydrogen, molecular hydrogen and helium is studied. First results for partial and total cross sections in collisions of fully stripped carbon, nitrogen and oxygen ions with atomic hydrogen are presented. These data are of particular importance for applications in fusion diagnostics. The data indicate that calculations of both molecular and atomic orbital type yield correct results, if an extended basis set is used. (Auth.)

  15. Coherent state approach for the Φ6-lattice model and phase transitions

    International Nuclear Information System (INIS)

    Aguero-Granados, M.A.; Makhan'kov, V.G.

    1991-01-01

    Phase transitions in the lattice version of the Φ 6 -field theory are studied. The generalized coherent states approach to is used. In such a way the roles of kinks and bubbles in phase transitions have been reexamined. It is shown via a numerical analysis that first and second order phase transitions appear due to the behaviour of kinks and bubbles excitations. 12 refs.; 10 figs

  16. Excitation strengths and transition radii differences of one-phonon quadrupole excitations from electron scattering on {sup 92,94}Zr and {sup 94}Mo

    Energy Technology Data Exchange (ETDEWEB)

    Sheikh Obeid, Abdulrahman

    2014-11-01

    In the framework of this thesis electron scattering experiments on low-energy excitations of {sup 92}Zr and {sup 94}Zr were performed at the S-DALINAC in a momentum transfer range q=0.3-0.6 fm{sup -1}. The nature of one-phonon symmetric and mixed-symmetric 2{sup +} and 3{sup -} states of {sup 92}Zr was investigated by comparison with predictions of the quasi-particle phonon model (QPM). Theoretical (e,e') cross sections have been calculated within the distorted wave Born approximation (DWBA) to account for Coulomb distortion effects. The reduced strengths of the one-quadrupole phonon states and the one-octupole phonon state have been extracted. The similarity of the momentum-transfer dependence of the form factors between the 2{sup +} states supports the one-phonon nature of the 2{sup +}{sub 2} state of {sup 92}Zr. A new method based on the Plane Wave Born Approximation (PWBA) for a model-independent determination of the ratio of the E2 transition strengths of fully symmetric (FSS) and mixed-symmetry (MSS) one-phonon excitations of heavy vibrational nuclei is introduced. Due to the sensitivity of electron scattering to charge distributions, the charge transition-radii difference can be determined. The basic assumptions (independence from the ratio of Coulomb corrections and from absolute values of transition radii) are tested within the Tassie model, which makes no specific assumptions about the structure of the states other than collectivity. It is shown that a PWBA analysis of the form factors, which usually fails for heavy nuclei, can nevertheless be applied in a relative analysis. This is a new promising approach to determine the ground state transition strength of the 2{sup +} MSS of vibrational nuclei with a precision limited only by the experimental information about the B(E2;2{sup +}{sub 1}→0{sup +}{sub 1}) strength. The PWBA approach furthermore provides information about differences of the proton transition radii of the respective states

  17. 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

  18. Foam radiators for transition radiation detectors

    International Nuclear Information System (INIS)

    Chernyatin, V.; Dolgoshein, B.; Gavrilenko, I.; Potekhin, M.; Romaniouk, A.; Sosnovtsev, V.

    1993-01-01

    A wide variety of foam radiators, potentially useful in the design of a transition radiation detector, the possible particle identification tool in collider experiments, have been tested in the beam. Various characteristics of these radiators are compared, and the conclusion is reached that certain brands of polyethylene foam are best suited for use in the detector. Comparison is made with a 'traditional' radiator, which is a periodic structure of plastic foils. (orig.)

  19. Energies of the ground state and first excited 0 sup + state in an exactly solvable pairing model

    CERN Document Server

    Dinh Dang, N

    2003-01-01

    Several approximations are tested by calculating the ground-state energy and the energy of the first excited 0 sup + state using an exactly solvable model with two symmetric levels interacting via a pairing force. They are the BCS approximation (BCS), Lipkin-Nogami (LN) method, random-phase approximation (RPA), quasiparticle RPA (QRPA), the renormalized RPA (RRPA), and renormalized QRPA (RQRPA). It is shown that, in the strong-coupling regime, the QRPA which neglects the scattering term of the model Hamiltonian offers the best fit to the exact solutions. A recipe is proposed using the RRPA and RQRPA in combination with the pairing gap given by the LN method. Applying this recipe, it is shown that the superfluid-normal phase transition is avoided, and a reasonably good description for both of the ground-state energy and the energy of the first excited 0 sup + state is achieved. (orig.)

  20. Direct electron-impact mechanism of excitation of mercury monobromide in a double-pulse dielectric-barrier-discharge HgBr lamp

    Science.gov (United States)

    Datsyuk, V. V.; Izmailov, I. A.; Naumov, V. V.; Kochelap, V. A.

    2016-08-01

    In a nonequlibrium plasma of a gas-discharge HgBr lamp, the terminal electronic state of the HgBr(B-X) radiative transition with a peak wavelength of 502 nm remains populated for a relatively long time and is repeatedly excited to the B state in collisions with plasma electrons. This transfer of the HgBr molecules from the ground state X to the excited state B is the main mechanism of formation of the light-emitting molecules especially when the lamp is excited by double current pulses. According to our simulations, due to the electron-induced transitions between HgBr(X) and HgBr(B), the output characteristics of the DBD lamp operating in a double-pulse regime are better than those of the lamp operating in a single-pulse regime. In the considered case, the peak power is calculated to increase by a factor of about 2 and the lamp efficiency increases by about 50%.

  1. 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

  2. Glauber amplitudes for transitions from low lying states in hydrogen atom by charged particle impact

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, S; Srivastava, M K [Roorkee Univ. (India). Dept. of Physics

    1977-07-01

    The Glauber amplitudes for the general transition nlm ..-->.. n'1'm' in charged particle - hydrogen atom collisions have been obtained in the form of a one-dimensional integral. The final expression involves only a few hypergeometric functions if n is not too large and is particularly suited to study excitation to highly excited states from a low lying state.

  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. Low-energy d-d excitations in MnO studied by resonant x-ray fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Butorin, S.M.; Guo, J.; Magnuson, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Resonant soft X-ray emission spectroscopy has been demonstrated to possess interesting abilities for studies of electronic structure in various systems, such as symmetry probing, alignment and polarization dependence, sensitivity to channel interference, etc. In the present abstract the authors focus on the feasibility of resonant soft X-ray emission to probe low energy excitations by means of resonant electronic X-ray Raman scattering. Resonant X-ray emission can be regarded as an inelastic scattering process where a system in the ground state is transferred to a low excited state via a virtual core excitation. The energy closeness to a core excitation of the exciting radiation enhances the (generally) low probability for inelastic scattering at these wavelengths. Therefore soft X-ray emission spectroscopy (in resonant electronic Raman mode) can be used to study low energy d-d excitations in transition metal systems. The involvement of the intermediate core state allows one to use the selection rules of X-ray emission, and the appearance of the elastically scattered line in the spectra provides the reference to the ground state.

  5. Low-energy d-d excitations in MnO studied by resonant x-ray fluorescence spectroscopy

    International Nuclear Information System (INIS)

    Butorin, S.M.; Guo, J.; Magnuson, M.

    1997-01-01

    Resonant soft X-ray emission spectroscopy has been demonstrated to possess interesting abilities for studies of electronic structure in various systems, such as symmetry probing, alignment and polarization dependence, sensitivity to channel interference, etc. In the present abstract the authors focus on the feasibility of resonant soft X-ray emission to probe low energy excitations by means of resonant electronic X-ray Raman scattering. Resonant X-ray emission can be regarded as an inelastic scattering process where a system in the ground state is transferred to a low excited state via a virtual core excitation. The energy closeness to a core excitation of the exciting radiation enhances the (generally) low probability for inelastic scattering at these wavelengths. Therefore soft X-ray emission spectroscopy (in resonant electronic Raman mode) can be used to study low energy d-d excitations in transition metal systems. The involvement of the intermediate core state allows one to use the selection rules of X-ray emission, and the appearance of the elastically scattered line in the spectra provides the reference to the ground state

  6. Radiative Transitions in Charmonium from Lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Jozef Dudek; Robert Edwards; David Richards

    2006-01-17

    Radiative transitions between charmonium states offer an insight into the internal structure of heavy-quark bound states within QCD. We compute, for the first time within lattice QCD, the transition form-factors of various multipolarities between the lightest few charmonium states. In addition, we compute the experimentally unobservable, but physically interesting vector form-factors of the {eta}{sub c}, J/{psi} and {chi}{sub c0}. To this end we apply an ambitious combination of lattice techniques, computing three-point functions with heavy domain wall fermions on an anisotropic lattice within the quenched approximation. With an anisotropy {xi} = 3 at a{sub s} {approx} 0.1 fm we find a reasonable gross spectrum and a hyperfine splitting {approx}90 MeV, which compares favorably with other improved actions. In general, after extrapolation of lattice data at non-zero Q{sup 2} to the photopoint, our results agree within errors with all well measured experimental values. Furthermore, results are compared with the expectations of simple quark models where we find that many features are in agreement; beyond this we propose the possibility of constraining such models using our extracted values of physically unobservable quantities such as the J/{psi} quadrupole moment. We conclude that our methods are successful and propose to apply them to the problem of radiative transitions involving hybrid mesons, with the eventual goal of predicting hybrid meson photoproduction rates at the GlueX experiment.

  7. Identification of excited states in 167Os and 168Os: shape coexistence at extreme neutron deficiency

    International Nuclear Information System (INIS)

    Joss, D.T.; King, S.L.; Page, R.D.; Simpson, J.; Keenan, A.; Amzal, N.; Baeck, T.; Bentley, M.A.; Cederwall, B.; Cocks, J.F.C.; Cullen, D.M.; Greenlees, P.T.; Helariutta, K.; Jones, P.M.; Julin, R.; Juutinen, S.; Kankaanpaeae, H.; Kettunen, H.; Kuusiniemi, P.; Leino, M.; Muikku, M.; Savelius, A.; Uusitalo, J.; Williams, S.J.

    2001-01-01

    Excited states in the very neutron-deficient isotopes 167 Os and 168 Os have been observed using the reaction 112 Sn( 58 Ni, 2pxn). The JUROSPHERE γ-ray spectrometer array was used in conjunction with the RITU gas-filled recoil separator to collect prompt γ radiation in coincidence with recoils implanted in a silicon strip detector located at the focal plane of RITU. Using a selective recoil decay tagging technique it has been possible to unambiguously assign γ-ray transitions to 167 Os and 168 Os through the characteristic α radioactivity of these nuclides. The high-spin structure of the bands is discussed in terms of quasiparticle configurations within the framework of the cranked shell model. The role of shape coexistence in 168 Os is examined with phenomenological three-band mixing calculations

  8. Characterization of excited electronic states of naphthalene by resonance Raman and hyper-Raman scattering

    International Nuclear Information System (INIS)

    Bonang, C.C.; Cameron, S.M.

    1992-01-01

    The first resonance Raman and hyper-Raman scattering from naphthalene are reported. Fourth harmonic of a mode-locked Nd:YAG laser is used to resonantly excite the 1 B 1u + transition, producing Raman spectra that confirm the dominance of the vibronically active ν 28 (b 3g ) mode and the Franck--Condon active a g modes, ν 5 and ν 3 . A synchronously pumped stilbene dye laser and its second harmonic are employed as the excitation sources for hyper-Raman and Raman scattering from the overlapping 1 B 2 u + and 1 A g - states. The Raman spectra indicate that the equilibrium geometry of naphthalene is distorted primarily along ν 5 , ν 8 , and ν 7 normal coordinates upon excitation to 1 B 2 u + . The hyper-Raman spectrum shows that ν 25 (b 2u ) is the mode principally responsible for vibronic coupling between the 1 A g - and 1 B 2u + states. The results demonstrate the advantageous features of resonance hyper-Raman scattering for the case of overlapping one- and two-photon allowed transitions. Calculations based on simple molecular orbital configurations are shown to qualitatively agree with the experimental results

  9. 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

  10. Radiation-Induced Fluidity and Glass-Liquid Transition in Irradiated Amorphous Materials

    International Nuclear Information System (INIS)

    Ojovan, M.I.

    2009-01-01

    This paper describes the fluidity behaviour of continuously irradiated glasses using the Congruent Bond Lattice model in which broken bonds 'configurons' facilitate the flow. Irradiation breaks the bonds creating configurons which at high concentrations provide the transition of material from the glassy to liquid state. An explicit equation of viscosity has been derived which gives results in agreement with experimental data. This equation provides correct viscosity data for non-irradiated materials and shows a significant increase of fluidity in radiation fields. It demonstrates a decrease of activation energy of flow for irradiated glasses. A simple equation for glass-transition temperature was also obtained which shows that irradiated glasses have lower glass transition temperatures and are readily transformed from glassy to liquid state e.g. fluidized in strong radiation fields. (authors)

  11. Black-body radiation effects and light shifts in atomic frequency standards

    Energy Technology Data Exchange (ETDEWEB)

    Pal' chikov, V G; Domnin, Yu S; Novoselov, A V [Institute of Metrology for Time and Space at National Research Institute for Physical-Technical and Radiotechnical Measurements - IMVP GP VNIIFTRI, Mendeleevo, Moscow Region, 141570 (Russian Federation)

    2003-04-01

    A general method is presented for calculating the higher-order terms of series in powers of the black-body radiation field for the Stark-state wavefunctions, dipole transition matrix elements and corresponding frequency shifts of hyperfine splitting in the ground states for Cs and Rb atoms. A numerical method for calculating the light shifts in Sr atoms is described. It is based on the Green function method for summation over all intermediate states and exact Dirac-Fock wavefunctions for the resonant transitions to the first excited s-, p- and d-states. By comparing the calculated Stark shift with results of measurements employing atomic frequency standards, the black-body radiation effects on the ground state are analysed.

  12. Electromagnetic transitions in the atom

    International Nuclear Information System (INIS)

    Ulehla, I.; Suk, M.; Trka, Z.

    1990-01-01

    Methods to achieve excitation of atoms are outlined and conditions necessary for the occurrence of electromagnetic transitions in the atomic shell are given. Radiative transitions between the energy states of the atom include stimulated absorption, spontaneous emission, and stimulated emission. Selection rules applying to the majority of observed transitions are given. The parity concept is explained. It is shown how the electromagnetic field and its interaction with the magnetic moment of the atom lead to a disturbance of the energy states of the atom and the occurrence of various electro-optical and magneto-optical phenomena. The Stark effect and electron spin resonance are described. X-rays and X-ray spectra, the Auger effect and the internal photoeffect are also dealt with. The principle of the laser is explained. (M.D.). 22 figs., 1 tab

  13. 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

  14. Ultrabright multikilovolt x-ray source: saturated amplification on noble gas transition arrays from hollow atom states

    Science.gov (United States)

    Rhodes, Charles K.; Boyer, Keith

    2004-02-17

    An apparatus and method for the generation of ultrabright multikilovolt x-rays from saturated amplification on noble gas transition arrays from hollow atom states is described. Conditions for x-ray amplification in this spectral region combine the production of cold, high-Z matter, with the direct, selective multiphoton excitation of hollow atoms from clusters using ultraviolet radiation and a nonlinear mode of confined, self-channeled propagation in plasmas. Data obtained is consistent with the presence of saturated amplification on several transition arrays of the hollow atom Xe(L) spectrum (.lambda..about.2.9 .ANG.). An estimate of the peak brightness achieved is .about.10.sup.29 .gamma..multidot.s.sup.-1.multidot.mm.sup.-2.multidot.mr.sup.-2 (0.1% Bandwidth).sup.-1, that is .about.10.sup.5 -fold higher than presently available synchotron technology.

  15. [Excitation transfer between high-lying states in K2 in collisions with ground state K and H2 molecules].

    Science.gov (United States)

    Shen, Xiao-Yan; Liu, Jing; Dai, Kang; Shen, Yi-Fan

    2010-02-01

    Pure potassium vapor or K-H2 mixture was irradiated in a glass fluorescence cell with pulses of 710 nm radiation from an OPO laser, populating K2 (1lambda(g)) state by two-photon absorption. Cross sections for 1lambda(g)-3lambda(g) transfer in K2 were determined using methods of molecular fluorescence. During the experiments with pure K vapor, the cell temperature was varied between 553 and 603 K. The K number density was determined spectroscopically by the white-light absorption measurement in the blue wing of the self-broadened resonance D2 line. The resulting fluorescence included a direct component emitted in the decay of the optically excitation and a sensitized component arising from the collisionally populated state. The decay signal of time-resolved fluorescence from1lambda(g) -->1 1sigma(u)+ transition was monitored. It was seen that just after the laser pulse the fluorescence of the photoexcited level decreased exponentially. The effective lifetimes of the 1lambda(g) state can be resolved. The plot of reciprocal of effective lifetimes of the 1lambda(g) state against K densities yielded the slope that indicated the total cross section for deactivation and the intercept that provided the radiative lifetime of the state. The radiative lifetime (20 +/- 2) ns was obtained. The cross section for deactivation of the K2(1lambda(g)) molecules by collisions with K is (2.5 +/- 0.3) x 10(-14) cm2. The time-resolved intensities of the K23lambda(g) --> 1 3sigma(u)+ (484 nm) line were measured. The radiative lifetime (16.0 +/- 3.2) ns and the total cross section (2.5 +/- 0.6) x 10(-14) cm2 for deactivation of the K2 (3lambda(g)) state can also be determined through the analogous procedure. The time-integrated intensities of 1lambda(g) --> 1 1sigma(u)+ and 3lambda(g) --> 1 3sigma(u)+ transitions were measured. The cross section (1.1 +/- 0.3) x10(-14) cm2 was obtained for K2 (1lambda(g))+ K --> K2 (3lambda(g)) + K collisions. During the experiments with K-H2 mixture, the

  16. Study on the characteristics of sup(163,165,167)Tm excited states

    International Nuclear Information System (INIS)

    Adam, I.; Alikov, B.A.; Badalov, Kh.N.

    1985-01-01

    On the basis of analysis of transition intensities, de-excitation nature and systematics of sup(163,1965, 167)Tm nucleus level energy the interpretation of some excited states of studied isotopes is suggested. Results of calculations within the framework of an independent quasiparticle model and quasiparticle-phonon model confirm the suggested interpretation and show that taking account of quasiparticle-phonon interaction improves agreement of theoretical energy values with experimental as compared with the independent quasiparticle model. The calculation of energy of rotational states within the framework of a non adi batic rotational model shows that it is possible to obtain rather good agreement with experiment. It is noted that taking account of correctly the difference in deformations of one-particle states can result in the improvement of agreement of theory and experiment. When calculating rotational spectra for the description of high-lying states it is desirable to consider dependence of collective parameters, for example, inertia momentum, on spin

  17. Dissociative Excitation of Acetylene Induced by Electron Impact: Excitation-emission Cross-sections

    Energy Technology Data Exchange (ETDEWEB)

    Országh, Juraj; Danko, Marián; Čechvala, Peter; Matejčík, Štefan, E-mail: matejcik@fmph.uniba.sk [Department of Experimental Physics, Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Mlynská dolina F-2, 842 48 Bratislava (Slovakia)

    2017-05-20

    The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190–660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines (hydrogen Balmer series, carbon) and molecular bands (CH(A–X), CH(B–X), CH{sup +}(B–A), and C{sub 2}). Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C{sub 2}H(A–X). For most important lines and bands of the spectrum we have measured absolute excitation-emission cross sections and determined the energy thresholds of the particular dissociative channels.

  18. Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

    Science.gov (United States)

    Xu, Wenhua; Ma, Jianyi; Peng, Daoling; Zou, Wenli; Liu, Wenjian; Staemmler, Volker

    2009-02-01

    The perrhenate anion, ReO4-, is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3T1 and 3T2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted.

  19. Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

    International Nuclear Information System (INIS)

    Xu Wenhua; Ma Jianyi; Peng Daoling; Zou Wenli; Liu Wenjian; Staemmler, Volker

    2009-01-01

    The perrhenate anion, ReO 4 - , is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3 T 1 and 3 T 2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted

  20. New results for double-beta decay of {sup 100}Mo to excited final states of {sup 100}Ru using the TUNL-ITEP apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Kidd, M.F.; Esterline, J.H. [Department of Physics, Duke University and Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States); Tornow, W. [Department of Physics, Duke University and Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States)], E-mail: tornow@tunl.duke.edu; Barabash, A.S.; Umatov, V.I. [Institute for Theoretical and Experimental Physics, 117259 Moscow (Russian Federation)

    2009-04-15

    The coincidence detection efficiency of the TUNL-ITEP apparatus designed for measuring half-life times of two-neutrino double-beta (2{nu}{beta}{beta}) decay transitions to excited final states in daughter nuclei has been measured with a factor of 2.4 improved accuracy. In addition, the previous measuring time of 455 days for the study of the {sup 100}Mo 2{nu}{beta}{beta} decay to the first excited 0{sub 1}{sup +} state in {sup 100}Ru has been increased by 450 days, and a new result (combined with the previous measurement obtained with the same apparatus) for this transition is presented: T{sub 1/2}=[5.5{sub -0.8}{sup +1.2}(stat){+-}0.3(syst)]x10{sup 20} yr. Measured 2{nu}{beta}{beta} decay half-life times to excited states can be used to test the reliability of nuclear matrix element calculations needed for determining the effective neutrino mass from zero-neutrino double-beta decay data. We also present new limits for transitions to higher excited states in {sup 100}Ru which, if improved, may be of interest for more exotic conjectures, like a bosonic component to neutrino statistics.

  1. Room temperature triplet state spectroscopy of organic semiconductors.

    Science.gov (United States)

    Reineke, Sebastian; Baldo, Marc A

    2014-01-21

    Organic light-emitting devices and solar cells are devices that create, manipulate, and convert excited states in organic semiconductors. It is crucial to characterize these excited states, or excitons, to optimize device performance in applications like displays and solar energy harvesting. This is complicated if the excited state is a triplet because the electronic transition is 'dark' with a vanishing oscillator strength. As a consequence, triplet state spectroscopy must usually be performed at cryogenic temperatures to reduce competition from non-radiative rates. Here, we control non-radiative rates by engineering a solid-state host matrix containing the target molecule, allowing the observation of phosphorescence at room temperature and alleviating constraints of cryogenic experiments. We test these techniques on a wide range of materials with functionalities spanning multi-exciton generation (singlet exciton fission), organic light emitting device host materials, and thermally activated delayed fluorescence type emitters. Control of non-radiative modes in the matrix surrounding a target molecule may also have broader applications in light-emitting and photovoltaic devices.

  2. 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.

  3. 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

  4. Computation of Ion Charge State Distributions After Inner-shell Ionization in Ne, Ar and Kr Atoms Using Monte Carlo Simulation

    International Nuclear Information System (INIS)

    Ahmed Ghoneim, Adel Aly; Ghoneim, Adel A.; Al-Zanki, Jasem M.; El-Essawy, Ashraf H.

    2009-01-01

    Atomic reorganization starts by filling the initially inner-shell vacancy by a radiative transition (x-ray) or by a non-radiative transition (Auger and Coster-Kronig processes). New vacancies created during this atomic reorganization may in turn be filled by further radiative and non-radiative transitions until all vacancies reach the outermost occupied shells. The production of inner-shell vacancy in an atom and the de-excitation decays through radiative and non-radiative transitions may result in a change of the atomic potential; this change leads to the emission of an additional electron in the continuum (electron shake-off processes). In the present work, the ion charge state distributions (CSD) and mean atomic charge ions produced from inner shell vacancy de-excitation decay are calculated for neutral Ne , Ar and Kr atoms. The calculations are carried out using Monte Carlo (MC) technique to simulate the cascade development after primary vacancy production. The radiative and non-radiative transitions for each vacancy are calculated in the simulation. In addition, the change of transition energies and transition rates due to multi vacancies produced in the atomic configurations through the cascade development are considered in the present work. It is found that considering the electron shake off process and closing of non-allowed non-radiative channels improves the results of both charge state distributions (CSD) and average charge state. To check the validity of the present calculations, the results obtained are compared with available theoretical and experimental data. The present results are found to agree well with the available theoretical and experimental values. (author)

  5. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO){sub 2}I{sub 2} complex

    Energy Technology Data Exchange (ETDEWEB)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-11-15

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO){sub 2}I{sub 2}] (dcbpy4,4{sup '}-dicarboxy-2,2{sup '}-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I{sub 2}] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm{sup -1}) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

  6. High resolution spectroscopy in the second excited torsional state of $CH_{3}/OD$ and the atlas of the Fourier transform spectrum in the range 20-205 cm$^{-1}/$...

    CERN Document Server

    Mukhopadhyay, I

    1999-01-01

    In this work, the reduced eighth order Hamiltonian that has been used for the determination of the molecular parameters-using the high resolution Fourier transform far-infrared (FIR) assigned transitions in the ground and first $9 excited torsional states of CH/sub 3/OD-has been applied to assign and refine the model for the second excited torsional state. The data set consisted of 1220 FIR transitions with the rotational angular momentum J<21 and K<7 in the $9 second excited torsional state. It should be noted that the second excited torsional states of methanol are almost at the top of the torsional barrier. Thus it was interesting to see how the large amplitude motion is taken care of by $9 the eighth order Hamiltonian. We are in the process of a global fit including all the assigned transitions up to the second excited state. Additionally, in this paper we present the detailed Fourier transform spectral map of CH/sub $9 3/OD in the range 20-205 cm/sup -1/, as was done for the parent species. This sp...

  7. Electron impact excitation and ionization of laser-excited sodium atoms Na*(7d)

    International Nuclear Information System (INIS)

    Nienhaus, J.; Dorn, A.; Mehlhorn, W.; Zatsarinny, O.I.

    1997-01-01

    We have investigated the ejected-electron spectrum following impact excitation and ionization of laser-excited Na * (nl) atoms by 1.5 keV electrons. By means of two-laser excitation 3s → 3p 3/2 → 7d and subsequent cascading transitions about 8% (4%) of the target atoms were in excited states with n > 3 (7d). The experimental ejected-electron spectrum due to the decay of Auger and autoionization states of laser-excited atoms Na * (nl) with n = 4-7 has been fully interpreted by comprehensive calculations of the energies, cross sections and decay probabilities of the corresponding states. The various processes contributing to the ejected-electron spectrum are with decreasing magnitude: 2s ionization leading to 2s2p 6 nl Auger states, 2p → 3s excitation leading to 2p 5 3s( 1 P)nl autoionization states and 2s → 3l' excitation leading to 2s2p 6 3l'( 1 L)nl autoionization states. (Author)

  8. Ultraviolet transitions from the 2 3P states of helium-like argon

    International Nuclear Information System (INIS)

    Davis, W.A.

    1976-09-01

    This thesis describes the observation of two allowed electric dipole transitions in helium-like argon. The transitions are 2 3 P 2 --2 3 S 1 and 2 3 P 0 --2 3 S 1 . These transitions were observed by using a vacuum ultraviolet monochromator to collect photons from decays-in-flight of a beam-foil excited argon ion beam. The ion beam was generated by the Lawrence Berkeley Laboratory heavy ion linear accelerator (SuperHILAC) and had a beam energy of 138 MeV with a charge current of roughly 500 nanoamperes. After initial observation, the lifetimes and absolute wavelengths of these transitions were measured. The results are tau(2 3 P 2 ) = 1.62 +- 0.08 X 10 -9 sec, tau(2 3 P 0 ) = 4.87 +- 0.44 X 10 -9 sec, lambda(2 3 P 2 --2 3 S 1 ) = 560.2 +- 0.9A, and lambda(2 3 P 0 --2 3 S 1 ) = 660.7 +- 1.1A. This work has demonstrated the observability of these transitions in high-Z ions using beam-foil excitation. Employing a new grazing-incidence spectrometer this work will be pursued in ions of higher Z. Accuracies of at least one part in a thousand should be attainable and will probe the radiative contributions to these transitions to better than 10 percent in a previously unstudied region

  9. 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

  10. Creation and evolution of excited states in α particle tracks in anthracene crystals

    International Nuclear Information System (INIS)

    Klein, G.

    1977-01-01

    The kinematics of excited states in anthracene crystals bombarded by 5MeV α particles is studied. The elementary processes which account for the transitions from the primary excited states to the lowest singlet S 1 and triplet T 1 excited states is described. The equation governing the evolution of the S 1 and T 1 excitons in the α particle track are then solved, and the scintillation decay curve is calculated. This calculated result is in good agreement with all available experimental results. The experimental part of this work are scintillation decay curves measurements. The scintillation decay was measured between 0.5nsec and 40μsec. The influence of the initial very fast singlet excitons quenching by triplet excitons can be seen in the beginning of scintillation. The delayed component is described by the triplet excitons kinematics. The magnetic field effect on the scintillation was investigated. This effect is attributed to an effect on the T 1 -T 1 annihilation and an effect on the triplet excitons quenching by radicals which are formed in the α particle track

  11. Excited-state intramolecular proton transfer and photoswitching in hydroxyphenyl-imidazopyridine derivatives: A theoretical study

    Science.gov (United States)

    Omidyan, Reza; Iravani, Maryam

    2016-11-01

    The MP2/CC2 and CASSCF theoretical approaches have been employed to determine the excited state proton transfer and photophysical nature of the four organic compounds, having the main frame of hydroxyphenyl-imidzaopyridine (HPIP). The nitrogen insertion effect, in addition to amine (-NH2) substitution has been investigated extensively by following the transition energies and deactivation pathways of resulted HPIP derivatives. It has been predicted that the excited state intramolecular proton transfer with or without small barrier is the most important feature of these compounds. Also, for all of the considered HPIP derivatives, a conical intersection (CI) between ground and the S1 excited state has been predicted. The strong non-adiabatic coupling in the CI (S1/S0), drives the system back to the ground state in which the proton may either return to the phenoxy unit and thus close the photocycle, or the system can continue the twisting motion that results in formation of a γ-photochromic species. This latter species can be responsible for photochromism of HPIP derivative systems.

  12. Lifetime measurements of highly excited Rydberg states of strontium. Pt. 1

    International Nuclear Information System (INIS)

    Kunze, S.; Hohmann, R.; Kluge, H.J.; Lantzsch, J.; Monz, L.; Stenner, J.; Stratmann, K.; Wendt, K.; Zimmer, K.

    1993-01-01

    Lifetimes of Rydberg states of triplet-series 5s ns 3 S 1 with n=19-23, 35 and 5s nd 3 D 3 with n=18-20, 23-28 in the spectrum of neutral strontium have been determined. Observation of the exponential decay after excitation by a pulsed laser in a fast atomic beam and subsequent state-selective field ionization was employed. The lifetimes of the states of the 3 S 1 -series show the expected n* 3 dependence on the effective principal quantum number, while the 3 D 3 -series is disturbed by configuration mixing. Furthermore, state re-populations induced by black-body radiation have been observed. (orig.)

  13. Stimulated transition radiation in the far-infrared

    International Nuclear Information System (INIS)

    Settakorn, C.; Hernandez, M.; Wiedemann, H.

    1997-08-01

    Stimulated transition radiation is generated by recycling coherent far-infrared light pulses of transition radiation in a special cavity. The cavity length is designed to be adjustable. At specific intervals the light of a previous bunch coincides at the radiator with the arrival of a subsequent bunch. In this situation, the external electromagnetic field stimulates the emission of higher intensity transition radiation. It is expected that the extracted energy from the cavity will be about 17 times more than would be possible without recycling

  14. Radiation from an excited vortex in the Abelian Higgs model

    Science.gov (United States)

    Arodź, H.; Hadasz, L.

    1996-09-01

    An excited vortex in the Abelian Higgs model is investigated with the help of a polynomial approximation. The excitation consists of the longitudinal component of a vector field trapped by the vortex. The energy and profile of the excitation as well as its back reaction on the vortex are found in the case of small κ. It turns out that the width of the excited vortex oscillates in time. Moreover, the vector field has a radiative long range component. Also, an upper bound on the amplitude of the excitation is found.

  15. Characteristics of the Mott transition and electronic states of high-temperature cuprate superconductors from the perspective of the Hubbard model

    Science.gov (United States)

    Kohno, Masanori

    2018-04-01

    A fundamental issue of the Mott transition is how electrons behaving as single particles carrying spin and charge in a metal change into those exhibiting separated spin and charge excitations (low-energy spin excitation and high-energy charge excitation) in a Mott insulator. This issue has attracted considerable attention particularly in relation to high-temperature cuprate superconductors, which exhibit electronic states near the Mott transition that are difficult to explain in conventional pictures. Here, from a new viewpoint of the Mott transition based on analyses of the Hubbard model, we review anomalous features observed in high-temperature cuprate superconductors near the Mott transition.

  16. 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

  17. Laser photoelectron spectroscopy of MnH - and FeH - : Electronic structures of the metal hydrides, identification of a low-spin excited state of MnH, and evidence for a low-spin ground state of FeH

    Science.gov (United States)

    Stevens, Amy E.; Feigerle, C. S.; Lineberger, W. C.

    1983-05-01

    The laser photoelectron spectra of MnH- and MnD-, and FeH- and FeD- are reported. A qualitative description of the electronic structure of the low-spin and high-spin states of the metal hydrides is developed, and used to interpret the spectra. A diagonal transition in the photodetachment to the known high-spin, 7Σ+, ground state of MnH is observed. An intense off-diagonal transition to a state of MnH, at 1725±50 cm-1 excitation energy, is attributed to loss of an antibonding electron from MnH-, to yield a low-spin quintet state of MnH. For FeH- the photodetachment to the ground state is an off-diagonal transition, attributed to loss of the antibonding electron from FeH-, to yield a low-spin quartet ground state of FeH. A diagonal transition results in an FeH state at 1945±55 cm-1; this state of FeH is assigned as the lowest-lying high-spin sextet state of FeH. An additional excited state of MnH and two other excited states of FeH are observed. Excitation energies for all the states are reported; vibrational frequencies and bond lengths for the ions and several states of the neutrals are also determined from the spectra. The electron affinity of MnH is found to be 0.869±0.010 eV; and the electron affinity of FeH is determined to be 0.934±0.011 eV. Spectroscopic constants for the various deuterides are also reported.

  18. Transition state region in the A-Band photodissociation of allyl iodide—A femtosecond extreme ultraviolet transient absorption study

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacherjee, Aditi, E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu; Attar, Andrew R., E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Leone, Stephen R., E-mail: srl@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States)

    2016-03-28

    Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH{sub 2} =CHCH{sub 2}I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground ({sup 2}P{sub 3/2}, I) and spin-orbit excited ({sup 2}P{sub 1/2}, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N{sub 4/5} edge (45–60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive n{sub I}σ{sup ∗}{sub C—I} excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ{sup ∗} states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ{sup ∗}(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs–65 fs and decay completely by 145 fs–185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic

  19. 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.)

  20. Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

    Science.gov (United States)

    Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

    2015-12-08

    We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

  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. Detection of radiation transitions between 4d9(D5/3,3/2)5s2nl and 4d105p(2P1/2,3/20)nl of self-ionized states of cadmium atom at electron-ion collisions

    International Nuclear Information System (INIS)

    Gomonaj, A.N.; Imre, A.I.

    2005-01-01

    Radiation transitions between 4d 9 ( 2 D 5/2,3/2 )5s 2 nl and 4d 10 5p( 2 P 1/2,3/2 0 )nl self-ionized states of Cd atom being dielectron satellites of λ325.0 nm (4d 9 5s 22 D 3/2 →4d 10 5p 2 P 1/2 0 ) and λ353.6 nm (4d 9 5s 22 D 3/2 → 4d 10 5p 2 P 3/2 0 ) laser lines of Cd + ion were detected for the first time at electron-ion collisions. One studied energy dependences of the effective cross sections of electron excitation of the satellite lines within 7-10 eV energy range. The effective cross sections of excitation of dielectron satellites constitutes ∼ 10 -17 cm 2 that is comparable with the efficiency of excitation of the laser lines [ru

  3. Collective excitations and the nature of Mott transition in undoped gapped graphene

    International Nuclear Information System (INIS)

    Jafari, S A

    2012-01-01

    The particle-hole continuum (PHC) for massive Dirac fermions provides an unprecedented opportunity for the formation of two collective split-off states, one in the singlet and the other in the triplet (spin-1) channel, when the short-range interactions are added to the undoped system. Both states are close in energy and are separated from the continuum of free particle-hole excitations by an energy scale of the order of the gap parameter Δ. They both disperse linearly with two different velocities, reminiscent of spin-charge separation in Luttinger liquids. When the strength of Hubbard interactions is stronger than a critical value, the velocity of singlet excitation, which we interpret as a charge composite boson, becomes zero and renders the system a Mott insulator. Beyond this critical point the low-energy sector is left with a linearly dispersing triplet mode - a characteristic of a Mott insulator. The velocity of the triplet mode at the Mott criticality is twice the velocity of the underlying Dirac fermions. The phase transition line in the space of U and Δ is in qualitative agreement with our previous dynamical mean field theory calculations. (paper)

  4. Accounting for the contributions of topological excitations in phase transitions through dual actions

    International Nuclear Information System (INIS)

    Ramos, Rudnei O.

    2006-01-01

    Topological excitations are believed to play an important role in different areas of physics. For example, cases of topical interest are the study of contributions of nonhomogeneous field configurations, in particular those of topological nature (like kinks, vortices and monopoles) in phase transitions associated to spontaneous symmetry breaking, the use of topological excitations in dual models of QCD to understand properties of its vacuum and confinement through the condensation of magnetic monopoles and vortices and also the relevance of these nonhomogeneous type of configurations in cosmology, again associated to possible phase transitions that are expected to have happened in the early universe. Here we show a derivation of a model dual to the scalar Abelian Higgs model where its topological excitations, namely vortex-strings, become manifest and can be treated in a quantum field theory way. The contribution of these nontrivial vacuum excitations in the phase transition for the scalar Abelian Higgs model in a thermal background is then studied and the results interpreted from the computation of the partition function taking into account the vortice-strings in the functional integration. This is made possible from the derived dual action. The relevance of the obtained results in cosmology, the analogy with phase transitions in superconductors, the relevance also for the study of confinement and other extensions of our calculations are briefly discussed here. (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. The nuclear isomer transition in Thorium-229. Search for the VUV photon

    Energy Technology Data Exchange (ETDEWEB)

    Stellmer, Simon [TU Wien (Austria). Atominstitut; VCQ, Vienna (Austria); Schreitl, Matthias; Schumm, Thorsten [TU Wien (Austria). Atominstitut; Yoshimura, Koji [Okayama University (Japan)

    2015-07-01

    The isotope {sup 229}Th is believed to possess a low-lying nuclear excitation, at an energy of about 7.8(5) eV, corresponding to a wavelength of 160(10) nm. Convincing direct evidence of the existence of this state, for instance by observation of its excitation or decay, is still pending. Optical excitation of the isomer state is an exceptional challenge, as the required wavelength is not known, the transition is believed to be extremely narrow, and the choice of suitable lasers is limited. Instead, we use synchrotron radiation at 29 keV to populate the second excited state, which then decays into the desired isomer state. This state proceeds further into the ground state under emission of the much sought-after VUV photon. This photon is detected in a spectrometer. The measurements are performed at the SPring-8 facility in Japan; we will report on the latest status of the experiment.

  7. Radiation from an excited vortex in the Abelian Higgs model

    International Nuclear Information System (INIS)

    Arodz, H.; Hadasz, L.

    1996-01-01

    An excited vortex in the Abelian Higgs model is investigated with the help of a polynomial approximation. The excitation consists of the longitudinal component of a vector field trapped by the vortex. The energy and profile of the excitation as well as its back reaction on the vortex are found in the case of small κ. It turns out that the width of the excited vortex oscillates in time. Moreover, the vector field has a radiative long range component. Also, an upper bound on the amplitude of the excitation is found. copyright 1996 The American Physical Society

  8. Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions.

    Science.gov (United States)

    Li, Zhendong; Liu, Wenjian

    2016-06-14

    Compared with closed-shell systems, open-shell systems place three additional challenges to time-dependent density functional theory (TD-DFT) for electronically excited states: (a) the spin-contamination problem is a serious issue; (b) the exchange-correlation (XC) kernel may be numerically instable; and (c) the single-determinant description of open-shell ground states readily becomes energetically instable. Confined to flip-up single excitations, the spin-contamination problem can largely be avoided by using the spin-flip TD-DFT (SF-TD-DFT) formalism, provided that a noncollinear XC kernel is employed. As for the numerical instabilities associated with such a kernel, only an ad hoc scheme has been proposed so far, viz., the ALDA0 kernel, which amounts to setting the divergent components (arising from density gradients and kinetic energy density) simply to zero. The ground-state instability problem can effectively be avoided by introducing the Tamm-Dancoff approximation (TDA) to TD-DFT. Therefore, on a general basis, the SF-TDA/ALDA0 Ansatz is so far the only promising means within the TD-DFT framework for flip-up single excitations of open-shell systems. To assess systematically the performance of SF-TDA/ALDA0, in total 61 low-lying quartet excited states of the benchmark set of 11 small radicals [J. Chem. Theory Comput. 2016, 12, 238] are investigated with various XC functionals. Taking the MRCISD+Q (multireference configuration interaction with singles and doubles plus the Davidson correction) results as benchmark, it is found that the mean absolute errors of SF-TDA/ALDA0 with the SAOP (statistical averaging of model orbital potentials), global hybrid, and range-separated hybrid functionals are in the range of 0.2-0.4 eV. This is in line not only with the typical accuracy of TD-DFT for singlet and triplet excited states of closed-shell systems but also with the gross accuracy of spin-adapted TD-DFT for spin-conserving excited states of open-shell systems.

  9. Spin-isospin excitation of 3He with three-proton final state

    Science.gov (United States)

    Ishikawa, Souichi

    2018-01-01

    Spin-isospin excitation of the {}^3He nucleus by a proton-induced charge exchange reaction, {}^3He(p,n)ppp, at forward neutron scattering angle is studied in a plane wave impulse approximation (PWIA). In PWIA, cross sections of the reaction are written in terms of proton-neutron scattering amplitudes and response functions of the transition from {}3He to the three-proton state by spin-isospin transition operators. The response functions are calculated with realistic nucleon-nucleon potential models using a Faddeev three-body method. Calculated cross sections agree with available experimental data in substance. Possible effects arising from the uncertainty of proton-neutron amplitudes and three-nucleon interactions in the three-proton system are examined.

  10. Calculation of Ion Charge State Distributions After Inner-Shell Ionization in Xe Atom

    International Nuclear Information System (INIS)

    Mohammedein, A.M.; Ghoneim, A.A.; Kandil, M.K.; Kadad, I.M.

    2009-01-01

    The vacancy cascades following initial inner-shell vacancies in single and multi-ionized atoms often lead to highly charged residual ions. The inner-shell vacancy produced by ionization processes may decay by either a radiative or non-radiative transition. In addition to the vacancy filling processes, there is an electron shake off process due to the change of core potential of the atom. In the calculation of vacancy cascades, the radiative (x-ray) and non-radiative (Auger and Coster-Kronig) branching ratios give valuable information on the de-excitation dynamics of an atom with inner-shell vacancy. The production of multi-charged ions yield by the Auger cascades following inner shell ionization of an atom has been studied both experimentally and theoretically. Multi-charged Xe ions following de-excitation of K, L 1 , L 2,3 , M 1 , M 2,3 and M 4,5 subshell vacancies are calculated using Monte-Carlo algorithm to simulate the vacancy cascade development. Fluorescence yield (radiative) and Auger, Coster- Kronig yield (non- radiative) are evaluated. The decay of K hole state through radiative transitions is found to be more probable than non-radiative transitions in the first step of de-excitation. On the other hand, the decay of L, M vacancies through non-radiative transitions are more probable. The K shell ionization in Xe atom mainly yields Xe 7+ , Xe 8+ , Xe 9+ and Xe 1 0 + ions, and the charged X 8+ ions are the highest. The main product from the L 1 shell ionization is found to be Xe 8+ , Xe 9+ ions, while the charged Xe 8+ ions predominate at L 2,3 hole states. The charged Xe 6+ , Xe 7+ and Xe 8+ ions mainly yield from 3s 1/2 and 3p 1/2 , 3/2 ionization, while Xe in 3d 3/2 , 5/2 hole states mainly turns into Xe 4+ and Xe 5+ ions. The present results are found to agree well with the experimental data. (author)

  11. Relativistic configuration interaction calculation on the ground and excited states of iridium monoxide

    International Nuclear Information System (INIS)

    Suo, Bingbing; Yu, Yan-Mei; Han, Huixian

    2015-01-01

    We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with 4 Σ − and 2 Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm −1 above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm −1 of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm −1 , which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths

  12. 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

  13. Energy balance in processes of transition radiation

    International Nuclear Information System (INIS)

    Vladimirov, S.V.; Tsytovich, V.N.

    1985-01-01

    The authors consider the transition radiation arising when a charged particle crosses an interface between two nonabsorbing media. It is shown that energy balance is observed under these circumstances. The fulfillment of energy balance in transition radiation for nonabsorbing media is rigorously demonstrated. This allows one to find the energy of the transition radiation from the change in the energy of the intrinsic field of the charge and the work of forces for volume waves, which in a number of cases of complicated configurations may prove to be considerably simpler than a direct calculation of the radiation power. For surface waves, a calculation of the work of forces enables one to determine the radiation power directly

  14. 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....

  15. Phase transitions and spin excitations of spin-1 bosons in optical lattice

    Science.gov (United States)

    Zhu, Min-Jie; Zhao, Bo

    2018-03-01

    For spin-1 bosonic system trapped in optical lattice, we investigate two main problems, including MI-SF phase transition and magnetic phase separations in MI phase, with extended standard basis operator (SBO) method. For both ferromagnetic (U2 0) systems, we analytically figure out the symmetry properties in Mott-insulator and superfluid phases, which would provide a deeper insight into the MI-SF phase transition process. Then by applying self-consistent approach to the method, we include the effect of quantum and thermal fluctuations and derive the MI-SF transition phase diagram, which is in quantitative agreement with recent Monte-Carlo simulation at zero temperature, and at finite temperature, we find the underestimation of finite-temperature-effect in the mean-field approximation method. If we further consider the spin excitations in the insulating states of spin-1 system in external field, distinct spin phases are expected. Therefore, in the Mott lobes with n = 1 and n = 2 atoms per site, we give analytical and numerical boundaries of the singlet, nematic, partially magnetic and ferromagnetic phases in the magnetic phase diagrams.

  16. Determination of ground and excited state dipole moments of dipolar laser dyes by solvatochromic shift method.

    Science.gov (United States)

    Patil, S K; Wari, M N; Panicker, C Yohannan; Inamdar, S R

    2014-04-05

    The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Local magnetic properties of multiferroic Nd0.5Gd0.5Fe3(BO3)4 in the excited states of Nd3+ ion

    International Nuclear Information System (INIS)

    Malakhovskii, A.V.; Gnatchenko, S.L.; Kachur, I.S.; Piryatinskaya, V.G.; Sukhachev, A.L.; Temerov, V.L.

    2015-01-01

    Polarized absorption spectra of single-crystal Nd 0.5 Gd 0.5 Fe 3 (BO 3 ) 4 were studied in the region of the transition 4 I 9/2 →( 4 G 5/2 + 2 G 7/2 ) in Nd 3+ ion as a function of temperature (2–34 K) and magnetic field (0–65 kOe). The spectra of natural circular dichroism were measured in the range of 5–40 K. It was found out that the local magnetic properties in the vicinity of the excited ion substantially depended on its state. In particular, a weak ferromagnetic moment appears in some excited states. It was found out that the selection rules for electron transitions in the magnetically ordered state substantially deviated from those in the paramagnetic state of the crystal. They are different for different transitions and they are very sensitive to the orientation of the sublattice magnetic moment relative to the light polarization. In the spectrum of the natural circular dichroism, the transition is revealed which is not observed in the absorption spectrum. - Highlights: • Temperature and field dependences of f-f transitions in Nd 0.5 Gd 0.5 Fe 3 (BO 3 ) 4 . • Natural circular dichroism in Nd 0.5 Gd 0.5 Fe 3 (BO 3 ) 4 below T N . • Weak ferromagnetic moment was identified in some excited 4f states. • Selection rules for f-f transitions substantially change below T N . • Intensities of f-f transitions strongly depend on magnetic moment orientation

  18. 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.

  19. Continuum radiation emitted from transition metals under ion bombardment

    International Nuclear Information System (INIS)

    El Boujlaidi, A.; Kaddouri, A.; Ait El Fqih, M.; Hammoum, K.; Aouchiche, H.

    2012-01-01

    Optical emission of transition metals has been studied during 5 keV Kr + ions bombardment within and without oxygen atmosphere in the colliding chamber. The observed spectra consist of a series of discrete lines superimposed on a broad continuum. Generally, the emission intensity was influenced by the presence of oxygen giving rise to transient effects as well as to an increase in the line intensity. The behaviours of spectral lines were successfully explained in term of electron-transfer process between the excited sputtered atom and the solid surface. In this work, we have focused our study on the continuous radiation emitted during ion bombardment. The experimental results suggest that the continuum emission depends on the nature of metal and very probably related to its electronic structure. The collective deactivation of 3d-shell electrons appears to play a role in the emission of this radiation. The observed enhancement in the presence of oxygen is probably due to a significant contribution of the oxide molecules. (authors)

  20. The liquid to vapor phase transition in excited nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, J.B.; Moretto, L.G.; Phair, L.; Wozniak, G.J.; Beaulieu, L.; Breuer, H.; Korteling, R.G.; Kwiatkowski, K.; Lefort, T.; Pienkowski, L.; Ruangma, A.; Viola, V.E.; Yennello, S.J.

    2001-05-08

    For many years it has been speculated that excited nuclei would undergo a liquid to vapor phase transition. For even longer, it has been known that clusterization in a vapor carries direct information on the liquid-vapor equilibrium according to Fisher's droplet model. Now the thermal component of the 8 GeV/c pion + 197 Au multifragmentation data of the ISiS Collaboration is shown to follow the scaling predicted by Fisher's model, thus providing the strongest evidence yet of the liquid to vapor phase transition.

  1. 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)

  2. Electron impact excitation of complex atoms and ions. Pt. 2: forbidden transitions in Ni+

    International Nuclear Information System (INIS)

    Watts, M.S.T.; Berrington, K.A.; Burke, P.G.

    1996-01-01

    This letter reports the first application of the new R-matrix program package RMATRX II to electron impact excitation of a near neutral open d-shell ion. In this calculation for Ni + , all states corresponding to the configuration 3d 9 , 3d 8 4s and 3d 8 4p have been included in the expansion of the total wavefunction. Thermally averaged collision strengths for forbidden transitions involving the even parity states are presented in tabular form for temperatures between 5000 K and 20 000 K. The importance of including accurate C1 expansions for both the target and the (N + 1)-electron terms is demonstrated. (Author)

  3. Sound Radiation of Aerodynamically Excited Flat Plates into Cavities

    Directory of Open Access Journals (Sweden)

    Johannes Osterziel

    2017-10-01

    Full Text Available Flow-induced vibrations and the sound radiation of flexible plate structures of different thickness mounted in a rigid plate are experimentally investigated. Therefore, flow properties and turbulent boundary layer parameters are determined through measurements with a hot-wire anemometer in an aeroacoustic wind tunnel. Furthermore, the excitation of the vibrating plate is examined by laser scanning vibrometry. To describe the sound radiation and the sound transmission of the flexible aluminium plates into cavities, a cuboid-shaped room with adjustable volume and 34 flush-mounted microphones is installed at the non flow-excited side of the aluminium plates. Results showed that the sound field inside the cavity is on the one hand dependent on the flow parameters and the plate thickness and on the other hand on the cavity volume which indirectly influences the level and the distribution of the sound pressure behind the flexible plate through different excited modes.

  4. Measurement of the electromagnetic lifetimes of the first four excited states of /sup 192/Pt

    Energy Technology Data Exchange (ETDEWEB)

    Butt, D K; Raoof, M A; Raoof, S A [Birkbeck Coll., London (UK)

    1976-11-01

    Measurements of the electromagnetic lifetimes of the first four excited states of /sup 192/Pt have been made by the self-comparison method using electron-electron coincidences. The partial lifetimes of the gamma transitions involved have been interpreted in terms of the pairing-plus-quadrupole model of Kumar and Baranger.

  5. Identification of high-energetic particles by transition radiation

    International Nuclear Information System (INIS)

    Struczinski, W.

    1986-01-01

    This thesis gives a comprehensive survey on the application of the transition radiation for the particle identification. After a short historical review on the prediction and the detection of the transition radiation its theoretical foundations are more precisely explained. They form the foundations for the construction of an optimal transition radiation detector the principal construction of which is described. The next chapter shows some experiments by which the main predictions of the transition-radiation theory are confirmed. Then the construction and operation of two transition-radiation detectors are described which were applied at the ISR respectively SPS in the CERN in Geneva in complex experiments. The detector applied at the ISR served for the e ± identification. With two lithium radiators which were followed by xenon-filled proportional chambers an e/π separation of ≅ 10 -2 could be reached. The transition-radiation detector applied in the SPS was integrated into the European Hybrid Spectrometer. It served for the identification of high-energetic pions (> or approx. 90 GeV) against kaons and protons. With twenty units of carbon-fiber radiators which were followed by xenon-filled proportional chambers a π/K, p separation of better than 1:20 for momenta above 100 GeV could be reached. The cluster-counting method is then presented. Finally, a survey on the contemporary status in the development of transition-radiation detectors for the e/π separation is given. It is shown that by an about half a meter long detector the radiators of which consist of carbon fibers an e/π separation in the order of magnitude of ≅ 10 -2 can be reached. (orig./HSI) [de

  6. Absolute E0 and E2 transition rates and collective states in 116Sn

    International Nuclear Information System (INIS)

    Kantele, J.; Julin, R.; Luontama, M.; Passoja, A.; Poikolainen, T.; Baecklin, A.; Jonsson, N.-G.

    1978-08-01

    Absolute E0 and E2 transition rates in 116 Sn have been measured using several newly developed techniques. Many E2 transitions are observed to have a collective character with B(E2) values of up to 60 W.u. The presence of deformed excited states in 116 Sn is discussed in view of the results obtained. (author)

  7. Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine2(CN2

    Directory of Open Access Journals (Sweden)

    Kasper S. Kjær

    2017-07-01

    Full Text Available We have used femtosecond resolution UV-visible and Kβ x-ray emission spectroscopy to characterize the electronic excited state dynamics of [Fe(bpy2(CN2], where bpy=2,2′-bipyridine, initiated by metal-to-ligand charge transfer (MLCT excitation. The excited-state absorption in the transient UV-visible spectra, associated with the 2,2′-bipyridine radical anion, provides a robust marker for the MLCT excited state, while the transient Kβ x-ray emission spectra provide a clear measure of intermediate and high spin metal-centered excited states. From these measurements, we conclude that the MLCT state of [Fe(bpy2(CN2] undergoes ultrafast spin crossover to a metal-centered quintet excited state through a short lived metal-centered triplet transient species. These measurements of [Fe(bpy2(CN2] complement prior measurement performed on [Fe(bpy3]2+ and [Fe(bpy(CN4]2− in dimethylsulfoxide solution and help complete the chemical series [Fe(bpyN(CN6–2N]2N-4, where N = 1–3. The measurements confirm that simple ligand modifications can significantly change the relaxation pathways and excited state lifetimes and support the further investigation of light harvesting and photocatalytic applications of 3d transition metal complexes.

  8. 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

  9. Excited-state lifetimes of far-infrared collective modes in proteins

    NARCIS (Netherlands)

    Xie, A.; van der Meer, L.; Austin, R. H.

    2002-01-01

    Vibrational excitations of low frequency collective modes are essential for functionally important conformational transitions in proteins. Here we report the first direct measurement on the lifetime of vibrational excitations of the collective modes at 87 pm (115 cm(-1)) in bacteriorhodopsin, a

  10. Estimation of the contribution of ionization and excitation to the lethal effect of ionizing radiation

    International Nuclear Information System (INIS)

    Petin, V.G.; Komarov, V.P.

    1982-01-01

    A simple theoretical model is proposed for estimating the differential contribution of ionization and excitation to the lethal effect of ionizing radiation. Numerical results were obtained on the basis of published experimental data on the ability of bacterial cells Escherichia coli to undergo photoreactivation of radiation-induced damage. It was shown that inactivation by excitation may be highly significant for UV-hypersensitive cells capable of photoreactivation; inactivation by excitation increased with the energy of ionizing radiation and the volume of irradiated suspensions. The data are in qualitative agreement with the assumption of a possible contribution of the UV-component of Cerenkov radiation to the formation of excitations responsible for the lethal effect and the phenomenon of photoreactivation after ionizing radiation. Some predictions from the model are discussed. (orig.)

  11. Some aspects of transition radiation and scattering theory

    International Nuclear Information System (INIS)

    Ginzburg, V.L.; Tsytovich, V.N.

    1978-01-01

    Some aspects of transition radiation and transition scattering theory are considered. The transition radiation in vacuum is analysed in the presence of a strong magnetic field. It is shown, that the constant electro-magnetic field makes vacuum similar to the uniaxial ferrodielectric. The appearance of the transition radiation in the nonstationary medium is discussed when its properties in the medium change abruptly in time. It is obtained, that both types of the transition radiation for nonrelativistic particles (on an abrupt boundary of the two media interface and under an abrupt change in time of the medium properties) differ quantitatively (on the order of the value). The role of the radiation transition and scattering in plasma physics has been elucidated from different points. Four most important features of these processes are pointed out. Particularly, essential is shown to be the type of the transition scattering when one plasma wave, being the dielectric constant wave transforms into another one also a plasma wave. In the processes of the transition scattering an essential part is played by the effects of the space dispersion, particularly when the scattering takes place on the small velocity particles. Finally besides transition scattering there exists in plasma or in some cases prevails a Thomson scattering. In this case an important role in plasma is played by the interference between the Thomson and the transition scattering

  12. 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.

  13. Nsub(4,5) excitations in metallic cesium: single electron behaviour and collective effects

    International Nuclear Information System (INIS)

    Petersen, H.

    1975-07-01

    The Nsub(4,5) excitation spectrum of Cs was measured with yield spectroscopy from the onset of transitions at 77 eV to 180 eV photon energy. Synchrotron radiation served as a light source. A broad maximum due to delayed transitions to f-symmetric continuum states is the dominating feature of the spectrum. An indication for existence of localized f-symmetric final states is found. Above the Nsub(4,5) edges at 77.1 +- 0.1 eV and 79.3 +- 0.1 eV photon energy transitions to p-symmetric extended metal states are observed. Their qualitative agreement with APW band structure calculations is discussed. EDC's obtained with photon energies 75 and 111 eV are presented. The observed asymmetric shape of the 4d photoemission maxima in the EDC's and the shape of the N 5 edge are discussed with regard to the final state interaction theory by Mahan, Nozieres and de Dominicis. (orig.) [de

  14. Excited states built on the 6- isomer in 3786Rb49

    International Nuclear Information System (INIS)

    Winter, G.; Schwengner, R.; Reif, J.; Prade, H.; Doering, J.; Wirowski, R.; Nicolay, N.; von Brentano, P.; Grawe, H.; Schubart, R.

    1994-01-01

    High-spin states of the doubly-odd nucleus 86 Rb containing 37 protons and 49 neutrons have been investigated via the reaction 82 Se( 7 Li,3n) using 7 Li ions with energies between 30 and 35 MeV. The new level scheme is based on prompt γγ coincidences, angular distributions and directional correlation orientation ratios of γ rays as well as on linear polarizations of some strong γ rays and contains levels with excitation energies up to 7.9 MeV and tentative spins up to 16ℎ. For fifteen of the levels lifetimes in the ps region have been determined by analyzing the Doppler shift of γ rays. Several fast M1 transitions with B(M1)approx-gt 0.3W.u. have been identified. The new high-spin level scheme of 86 Rb is interpreted on the basis of shell-model calculations in the configuration space 1p 3/2 , 0f 5/2 , 1p 1/2 , and 0g 9/2 for the protons and 1p 1/2 , 0g 9/2 , and 1d 5/2 for the neutrons. The energies of the observed levels with I>5 as well as most of the observed electromagnetic transition probabilities could be well described. The excitation of a 0g 9/2 neutron over the N=50 shell gap into the d 5/2 orbital is predicted to cause remarkable alterations only for states with I π ≥15 + . Some of the reduced M1 transition probabilities calculated within the shell model are found to depend critically on the parametrization used to describe the residual interaction

  15. Quantum electrodynamics with nonrelativistic sources. V. Electromagnetic field correlations and intermolecular interactions between molecules in either ground or excited states

    International Nuclear Information System (INIS)

    Power, E.A.; Thirunamachandran, T.

    1993-01-01

    Spatial correlations between electromagnetic fields arising from neutral sources with electric-dipole transition moments are calculated using nonrelativistic quantum electrodynamics in the multipolar formalism. Expressions for electric-electric, magnetic-magnetic, and electric-magnetic correlation functions at two points r and r' are given for a source molecule in either a ground or an excited state. In contrast to the electric-electric and magnetic-magnetic cases there are no electric-magnetic correlations for a ground-state molecule. For an excited molecule the downward transitions contribute additional terms which have modulating factors depending on (r-r')/λ. From these correlation functions electric and magnetic energy densities are found by setting r=r'. These energy densities are then used in a response formalism to calculate intermolecular energy shifts. In the case of two ground-state molecules this leads to the Casimir-Polder potential. However, for a pair of molecules, one or both excited, there are additional terms arising from downward transitions. An important feature of these energies is that they exhibit an R -2 dependence for large intermolecular separations R. This dependence is interpreted in terms of the Poynting vector, which itself can be obtained by setting r=r' in the electric-magnetic correlation function

  16. Radiative-lifetime measurements and calculations of odd-parity highly excited levels in Ba i

    International Nuclear Information System (INIS)

    Zhang Wei; Du Shan; Palmeri, Patrick; Quinet, Pascal; Biemont, Emile; Dai Zhenwen

    2010-01-01

    Natural radiative lifetime measurements have been performed for 70 odd-parity highly excited levels of neutral barium in the energy range from 308 15.512 to 417 59.93 cm -1 by a time-resolved laser-induced fluorescence technique in a laser-produced plasma. The lifetime values measured in this paper are in the range from 11.3 to 901 ns. They are compared with the published lifetimes of four levels. Two of them are in good agreement, whereas for the other two our measurements are slightly longer than the published data. The reasons for the discrepancies are discussed. Comparisons with theoretical results of the Hartree-Fock method with relativistic corrections illustrate the difficulties associated with the use of Cowan's codes for obtaining accurate branching fractions for transitions depopulating highly excited levels along the Rydberg series of heavy neutral elements. This work will be useful to extend the set of oscillator strengths available in Ba i.

  17. Origin of the low frequency radiation emitted by radiative polaritons excited by infrared radiation in planar La2O3 films.

    Science.gov (United States)

    Vincent-Johnson, Anita J; Schwab, Yosyp; Mann, Harkirat S; Francoeur, Mathieu; Hammonds, James S; Scarel, Giovanna

    2013-01-23

    Upon excitation in thin oxide films by infrared radiation, radiative polaritons are formed with complex angular frequency ω, according to the theory of Kliewer and Fuchs (1966 Phys. Rev. 150 573). We show that radiative polaritons leak radiation with frequency ω(i) to the space surrounding the oxide film. The frequency ω(i) is the imaginary part of ω. The effects of the presence of the radiation leaked out at frequency ω(i) are observed experimentally and numerically in the infrared spectra of La(2)O(3) films on silicon upon excitation by infrared radiation of the 0TH type radiative polariton. The frequency ω(i) is found in the microwave to far infrared region, and depends on the oxide film chemistry and thickness. The presented results might aid in the interpretation of fine structures in infrared and, possibly, optical spectra, and suggest the study of other similar potential sources of electromagnetic radiation in different physical scenarios.

  18. Modern state of radiation chemistry of inorganic solids

    International Nuclear Information System (INIS)

    Zakharov, Yu.A.; Nevostruev, V.A.; Ryabykh, S.M.; Safonov, Yu.N.

    1985-01-01

    Regularities of radiolysis of different metal salts and inorganic acid complex anions are considered taking account of the nature of electron states and radiation transformations in them. By chemical processes during irradiation the solid salts considered are divided into 2 groups: salts in which the processes stimulated by radiation lead to chemical transformations in anion and cation subsystems, their valency changed, (1st group); salts in which radiation-chemical transformations influence anion sublattice and cation valency is without any change (2nd group). It is shown that the main part of secondary chemical transformations is realized from low-energy excited electron states. For first group salts these states are of cation nature, at this secondary reactions are determined by ionization processes. For second group salts low-energy electron terms are mostly of anion nature. Classification of inorganic salts by the character of transformations in anion sublattices is marked to be developed

  19. Transition radiation electron beam diagnostic study at ATF

    International Nuclear Information System (INIS)

    Qiu, X.Z.; Wang, X.J.; Batchelor, K.; Ben-Zvi, I.

    1995-01-01

    Recently we have started a program to develop transition radiation based electron beam diagnostics at the Accelerator Test Facility at Brookhaven National Laboratory. In this paper, we will discuss a technique to estimate the lower limit in electron beam divergence measurement with single foil transition radiation and two-foil transition radiation interferometer. Preliminary experimental data from 4.5 MeV electron beam will be presented

  20. Radiative lifetime measurements of the singlet-G states of H2 and the 4p35p and 4d5D0 states of neutral oxygen atom

    International Nuclear Information System (INIS)

    Day, R.L.

    1981-01-01

    The present work reports measurements of the mean radiative lifetime for the G 1 μ/sub g/ + (v' = 0,1,2,3) and l 1 II/sub g/ + (v' = 0) Rydberg states and the K 1 μ/sub g/ + (v' = 0,1,2),M 1 μ/sub g/ + (v' = 0) and N 1 μ/sub g/ + (v' - 1,2) doubly excited of the H 2 molecule. In particular, the resulting radiative transitions G 1 μ/sub g/ + (v' = 0,1,2,3) → B 1 μ/sub u/ + (v'' = 0,1,3,5,7), l 1 II/sub g/ + (v' = 0) → B 1 μ/sub u/ + (v'' = 0), K 1 μ/sub g/ + (v' = 0,1,2) → B 1 μ/sub u/ + (v'' = 0,1), M 1 μ/sub g/ + (v' = 0) → B 1 μ/sub u/ + (v'' = 0) and N 1 μ/sub g/ + (v' = 1,2) → B 1 μ/sub u/ + (v'' = 0,2) are observed using time-resolved techniques. Radiative lifetime measurements in the range approx. 21 to 70 ns are obtained at 50 eV incident electron energy and approx. 30 mtorr H 2 gas pressure. In addition, H 2 - H 2 * quenching rate data are obtained for several rovibronic levels of the singlet-g states over the pressure range approx. 10 to 400 mtorr. In addition, time-resolved techniques are also used to observe the 4p 5 P → 3s 5 S 0 , 4p 3 P → 3s 3 S 0 , and 4d 5 D 0 → 3p 3 P multiplet transitions of the Ol spectrum occurring at lambda = 3947 A, lambda = 4368 A, and lambda = 6157 A, respectively. The excited atomic states are produced through dissociative-excitation of O 2 target gas by a pulsed electron beam of approx. 0.5 and 2 μs pulse width and 100 eV incident energy. The mean radiative lifetimes of the 4p 5 P, 4p 3 P and 4d 5 D 0 multiplets are obtained from analysis of the resulting radiative decay over the pressure range approx. 20 - 100 mtorr, and are reported as 194 ns, 161 ns, and 95 ns, respectively. The corresponding collisional deactivation cross sections for the multiplets are also obtained from the lifetime versus pressure measurements and are reported as 3.2 x 10 - 15 cm 2 , 7.7 x 10 - 15 cm 2 , and 1.6 x 10 - 15 cm 2 , respectively

  1. Gravitational radiation from first-order phase transitions

    International Nuclear Information System (INIS)

    Child, Hillary L.; Giblin, John T. Jr.

    2012-01-01

    It is believed that first-order phase transitions at or around the GUT scale will produce high-frequency gravitational radiation. This radiation is a consequence of the collisions and coalescence of multiple bubbles during the transition. We employ high-resolution lattice simulations to numerically evolve a system of bubbles using only scalar fields, track the anisotropic stress during the process and evolve the metric perturbations associated with gravitational radiation. Although the radiation produced during the bubble collisions has previously been estimated, we find that the coalescence phase enhances this radiation even in the absence of a coupled fluid or turbulence. We comment on how these simulations scale and propose that the same enhancement should be found at the Electroweak scale; this modification should make direct detection of a first-order electroweak phase transition easier

  2. Gravitational radiation from first-order phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Child, Hillary L.; Giblin, John T. Jr., E-mail: childh@kenyon.edu, E-mail: giblinj@kenyon.edu [Department of Physics, Kenyon College, 201 North College Road, Gambier, OH 43022 (United States)

    2012-10-01

    It is believed that first-order phase transitions at or around the GUT scale will produce high-frequency gravitational radiation. This radiation is a consequence of the collisions and coalescence of multiple bubbles during the transition. We employ high-resolution lattice simulations to numerically evolve a system of bubbles using only scalar fields, track the anisotropic stress during the process and evolve the metric perturbations associated with gravitational radiation. Although the radiation produced during the bubble collisions has previously been estimated, we find that the coalescence phase enhances this radiation even in the absence of a coupled fluid or turbulence. We comment on how these simulations scale and propose that the same enhancement should be found at the Electroweak scale; this modification should make direct detection of a first-order electroweak phase transition easier.

  3. 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

  4. 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.

  5. Radiative and non-radiative relaxation of excitons in strain-compensated quantum dots

    International Nuclear Information System (INIS)

    Kujiraoka, M.; Ishi-Hayase, J.; Akahane, K.; Yamamoto, Y.; Ema, K.; Sasaki, M.

    2008-01-01

    We have investigated the population dynamics of excitons in strain-compensated InAs quantum dots (QDs) using a pump-probe technique under resonant excitation. Precise control of polarization directions of incident pulses enabled us to selectively estimate population lifetimes for two orthogonally polarized exciton ground states according to polarization selection rules. Measured decay times of the probe transmissions were highly dependent on the polarization directions of the exciton states. We found that the ratio of the decay times for the orthogonally polarized states is in quantitative agreement with the ratio of square of the transition dipole moments. This indicates that radiative recombination processes have a dominant effect on the population dynamics and that non-radiative and spin relaxations are negligible in our QDs. As a result, we can estimate the radiative lifetimes to be 1.0±0.1 and 1.7±0.2 ns for orthogonally polarized exciton ground states

  6. Production of excited double hypernuclei via Fermi breakup of excited strange systems

    International Nuclear Information System (INIS)

    Sanchez Lorente, Alicia; Botvina, Alexander S.; Pochodzalla, Josef

    2011-01-01

    Precise spectroscopy of multi-strange hypernuclei provides a unique chance to explore the hyperon-hyperon interaction. In the present work we explore the production of excited states in double hypernuclei following the micro-canonical break-up of an initially excited double hypernucleus which is created by the absorption and conversion of a stopped Ξ - hyperon. Rather independent on the spectrum of possible excited states in the produced double hypernuclei the formation of excited states dominates in our model. For different initial target nuclei which absorb the Ξ - , different double hypernuclei nuclei dominate. Thus the ability to assign the various observable γ-transitions in a unique way to a specific double hypernuclei by exploring various light targets as proposed by the PANDA Collaboration seems possible. We also confront our predictions with the correlated pion spectra measured by the E906 Collaboration.

  7. Effects of optical pumping in the photo-excitation of organic triplet states

    International Nuclear Information System (INIS)

    Lin, Tien-Sung; Yang, Tran-Chin; Sloop, David J.

    2013-01-01

    Highlights: • High electron spin polarization (ESP) was observed in pentacene triplets at room temperature. • The high ESP is transfer to the surrounding nuclear spin by optical pumping in zero-field (ZF). • The ZF transition frequencies and their line width depend on the laser pumping rate. • The spin–lattice relaxation times of the nuclear system are evaluated. - Abstract: Upon the application of laser and microwave pulses, non-zero magnetic moment of a photo-excited triplet state of organic molecules is generated in zero-field (ZF). The time evolution of the transient magnetic moments can be measured by free induction decay (FID) in ZF. The observed ZF spectra become broadened and ZF transition shifted to lower frequencies when the repetition rate of laser excitation is increased, which are attributed to the optical pumping of nuclear polarization (ONP) effect and the associated nuclear spin lattice relaxation processes. The observed ONP effect is discussed in terms of the local field effect and spin diffusion processes in optical pumping

  8. Effects of optical pumping in the photo-excitation of organic triplet states

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Tien-Sung, E-mail: lin@wustl.edu; Yang, Tran-Chin; Sloop, David J.

    2013-08-30

    Highlights: • High electron spin polarization (ESP) was observed in pentacene triplets at room temperature. • The high ESP is transfer to the surrounding nuclear spin by optical pumping in zero-field (ZF). • The ZF transition frequencies and their line width depend on the laser pumping rate. • The spin–lattice relaxation times of the nuclear system are evaluated. - Abstract: Upon the application of laser and microwave pulses, non-zero magnetic moment of a photo-excited triplet state of organic molecules is generated in zero-field (ZF). The time evolution of the transient magnetic moments can be measured by free induction decay (FID) in ZF. The observed ZF spectra become broadened and ZF transition shifted to lower frequencies when the repetition rate of laser excitation is increased, which are attributed to the optical pumping of nuclear polarization (ONP) effect and the associated nuclear spin lattice relaxation processes. The observed ONP effect is discussed in terms of the local field effect and spin diffusion processes in optical pumping.

  9. Use of synchrotron and laser radiations for present and future photoionization studies in excited atoms and ions

    International Nuclear Information System (INIS)

    Wuilleumier, F.J.

    1984-01-01

    The status of experiments in photoionization of atoms in excited states is reviewed, with emphasis given to synchrotron and laser photon sources. A technique for exciting the photoionization spectrum of Na atoms using the flux emitted from the bending magnetic of a storage ring is discussed in detail. Some problems in interpreting photoionization spectrum of Ba in the excited state, due to the presence of higher orders are considered. A design approach for a positron storage ring to produce coherent radiation in the VUV is described. It is shown that combined use of a CW dye laser and the positron storage ring will allow new progress to be made in photoionization studies of excited atoms. Some of the experiments to be carried out using the positron storage ring include: measurements of collisional ionization in rare earth metal atoms of low atomic density; photoionization measurements at lower laser powers, leading to an extension of the CW tunability range; and photoionization studies of multiply charged positive ions. 21 references

  10. Decay of giant resonances states in radiative pion capture by 1p shell nuclei

    International Nuclear Information System (INIS)

    Dogotar, G.E.

    1978-01-01

    The decay of the giant resonance states excited in tthe radiative pion capture on the 9 Be, 11 B, 13 C and 14 N nuclei is considered in the shell model with intermediate coupling. It is shown that the excited states in the daughter nuclei (A-1, Z-1) are mainly populated by intermediate states with spin by two units larger than the spin of the target nuclei. Selected coincidence experiments are proposed

  11. Electronic-excitation induced radiation damage in glasses

    Energy Technology Data Exchange (ETDEWEB)

    Vigouroux, J P

    1985-01-01

    In order to understand the microscopic nature of radiation induced defects in insulators, we have studied localization of negative and positive charges in amorphous and monocrystalline SiO2. The behaviour of these charges is linked to creation of point defects by electronic excitation. The role of intense electric fields under irradiation is pointed out.

  12. Radiative transitions of new particles and the puzzle of cc-bar pseudoscalar mesons

    International Nuclear Information System (INIS)

    Arafune, J.; Fukugita, M.; Oyanagi, Y.

    1977-01-01

    Radiative transitions between psi's and chi's are investigated in terms of a nonrelativistic quark model. When the level mixing is taken into account, no difficulties are met in M1 transitions, if the newly discovered chi (3454) is assigned to the ground state of the pseudoscalar meson

  13. Mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon-tetrachloride mixtures II: excited state hydrogen bonding structure and dynamics, infrared emission spectrum, and excited state lifetime.

    Science.gov (United States)

    Kwac, Kijeong; Geva, Eitan

    2012-03-08

    We present a mixed quantum-classical molecular dynamics study of the hydrogen-bonding structure and dynamics of a vibrationally excited hydroxyl stretch in methanol/carbon-tetrachloride mixtures. The adiabatic Hamiltonian of the quantum-mechanical hydroxyl is diagonalized on-the-fly to obtain the ground and first-excited adiabatic energy levels and wave functions which depend parametrically on the instantaneous configuration of the classical degrees of freedom. The dynamics of the classical degrees of freedom are determined by Hellmann-Feynman forces obtained by taking the expectation value of the force with respect to the ground or excited vibrational wave functions. Polarizable force fields are used which were previously shown to reproduce the experimental infrared absorption spectrum rather well, for different isotopomers and over a wide composition range [Kwac, K.; Geva, E. J. Phys. Chem. B 2011, 115, 9184]. We show that the agreement of the absorption spectra with experiment can be further improved by accounting for the dependence of the dipole moment derivatives on the configuration of the classical degrees of freedom. We find that the propensity of a methanol molecule to form hydrogen bonds increases upon photoexcitation of its hydroxyl stretch, thereby leading to a sizable red-shift of the corresponding emission spectrum relative to the absorption spectrum. Treating the relaxation from the first excited to the ground state as a nonadiabatic process, and calculating its rate within the framework of Fermi's golden rule and the harmonic-Schofield quantum correction factor, we were able to predict a lifetime which is of the same order of magnitude as the experimental value. The experimental dependence of the lifetime on the transition frequency is also reproduced. Nonlinear mapping relations between the hydroxyl transition frequency and bond length in the excited state and the electric field along the hydroxyl bond axis are established. These mapping relations

  14. Millimeter-wave and Submillimeter-wave Spectra of Aminoacetonitrile in the Three Lowest Vibrational Excited States

    Energy Technology Data Exchange (ETDEWEB)

    Esposti, Claudio Degli; Dore, Luca; Melosso, Mattia [Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, via Selmi 2, I-40126 Bologna (Italy); Kobayashi, Kaori [Department of Physics, Faculty of Science, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Fujita, Chiho; Ozeki, Hiroyuki, E-mail: ozeki@env.sci.toho-u.ac.jp [Department of Environmental Science, Faculty of Science, Toho University, 2-2-1 Miyama, Funabashi, 274-8510 (Japan)

    2017-06-01

    It is important to study possible precursors of amino acids such as glycine to enable future searches in interstellar space. Aminoacetonitrile (NH{sub 2}CH{sub 2}CN) is one of the most feasible molecules for this purpose. This molecule was already detected toward Sgr B2(N). Aminoacetonitrile has a few low-lying vibrational excited states, and transitions within these states may be found in space. In this study, the pure-rotational transitions in the three lowest vibrational states in the 80–450 GHz range have been assigned and analyzed. It was found to be very important to include Coriolis coupling between the two lowest vibrational fundamentals, while the third one was unperturbed. The partition function was evaluated considering these new results.

  15. Lifetime measurements of highly excited Rydberg states of strontium. Pt. 1

    Energy Technology Data Exchange (ETDEWEB)

    Kunze, S.; Hohmann, R.; Kluge, H.J.; Lantzsch, J.; Monz, L.; Stenner, J.; Stratmann, K.; Wendt, K.; Zimmer, K. (Mainz Univ. (Germany). Inst. fuer Physik)

    1993-06-01

    Lifetimes of Rydberg states of triplet-series 5s ns[sup 3]S[sub 1] with n=19-23, 35 and 5s nd[sup 3]D[sub 3] with n=18-20, 23-28 in the spectrum of neutral strontium have been determined. Observation of the exponential decay after excitation by a pulsed laser in a fast atomic beam and subsequent state-selective field ionization was employed. The lifetimes of the states of the [sup 3]S[sub 1]-series show the expected n*[sup 3] dependence on the effective principal quantum number, while the [sup 3]D[sub 3]-series is disturbed by configuration mixing. Furthermore, state re-populations induced by black-body radiation have been observed. (orig.).

  16. Unveiling the excited state energy transfer pathways in peridinin-chlorophyll a-protein by ultrafast multi-pulse transient absorption spectroscopy.

    Science.gov (United States)

    Redeckas, Kipras; Voiciuk, Vladislava; Zigmantas, Donatas; Hiller, Roger G; Vengris, Mikas

    2017-04-01

    Time-resolved multi-pulse methods were applied to investigate the excited state dynamics, the interstate couplings, and the excited state energy transfer pathways between the light-harvesting pigments in peridinin-chlorophyll a-protein (PCP). The utilized pump-dump-probe techniques are based on perturbation of the regular PCP energy transfer pathway. The PCP complexes were initially excited with an ultrashort pulse, resonant to the S 0 →S 2 transition of the carotenoid peridinin. A portion of the peridinin-based emissive intramolecular charge transfer (ICT) state was then depopulated by applying an ultrashort NIR pulse that perturbed the interaction between S 1 and ICT states and the energy flow from the carotenoids to the chlorophylls. The presented data indicate that the peridinin S 1 and ICT states are spectrally distinct and coexist in an excited state equilibrium in the PCP complex. Moreover, numeric analysis of the experimental data asserts ICT→Chl-a as the main energy transfer pathway in the photoexcited PCP systems. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Investigation of excited states populations density of Hall thruster plasma in three dimensions by laser-induced fluorescence spectroscopy

    Science.gov (United States)

    Krivoruchko, D. D.; Skrylev, A. V.

    2018-01-01

    The article deals with investigation of the excited states populations distribution of a low-temperature xenon plasma in the thruster with closed electron drift at 300 W operating conditions were investigated by laser-induced fluorescence (LIF) over the 350-1100 nm range. Seven xenon ions (Xe II) transitions were analyzed, while for neutral atoms (Xe I) just three transitions were explored, since the majority of Xe I emission falls into the ultraviolet or infrared part of the spectrum and are difficult to measure. The necessary spontaneous emission probabilities (Einstein coefficients) were calculated. Measurements of the excited state distribution were made for points (volume of about 12 mm3) all over the plane perpendicular to thruster axis in four positions on it (5, 10, 50 and 100 mm). Measured LIF signal intensity have differences for each location of researched point (due to anisotropy of thruster plume), however the structure of states populations distribution persisted at plume and is violated at the thruster exit plane and cathode area. Measured distributions show that for describing plasma of Hall thruster one needs to use a multilevel kinetic model, classic model can be used just for far plume region or for specific electron transitions.

  18. Study of radiative leptonic events with hard photons and search for excited charged leptons at $\\sqrt{s}$ = 130-136 GeV

    CERN Document Server

    Abreu, P; Adye, T; Agasi, E; Aleksan, Roy; Alekseev, G D; Alemany, R; Allport, P P; Almehed, S; Amaldi, Ugo; Amato, S; Andreazza, A; Andrieux, M L; Antilogus, P; Apel, W D; Arnoud, Y; Åsman, B; Augustin, J E; Augustinus, A; Baillon, Paul; Bambade, P; Barão, F; Barate, R; Barbi, M S; Barbiellini, Guido; Bardin, Dimitri Yuri; Baroncelli, A; Bärring, O; Barrio, J A; Bartl, Walter; Bates, M J; Battaglia, Marco; Baubillier, M; Baudot, J; Becks, K H; Begalli, M; Beillière, P; Belokopytov, Yu A; Benvenuti, Alberto C; Berggren, M; Bertini, D; Bertrand, D; Bianchi, F; Bigi, M; Bilenky, S M; Billoir, P; Bloch, D; Blume, M; Bolognese, T; Bonesini, M; Bonivento, W; Booth, P S L; Bosio, C; Botner, O; Boudinov, E; Bouquet, B; Bourdarios, C; Bowcock, T J V; Bozzo, M; Branchini, P; Brand, K D; Brenke, T; Brenner, R A; Bricman, C; Brown, R C A; Brückman, P; Brunet, J M; Bugge, L; Buran, T; Burgsmüller, T; Buschmann, P; Buys, A; Cabrera, S; Caccia, M; Calvi, M; Camacho-Rozas, A J; Camporesi, T; Canale, V; Canepa, M; Cankocak, K; Cao, F; Carena, F; Carroll, L; Caso, Carlo; Castillo-Gimenez, M V; Cattai, A; Cavallo, F R; Chabaud, V; Charpentier, P; Chaussard, L; Chauveau, J; Checchia, P; Chelkov, G A; Chen, M; Chierici, R; Chliapnikov, P V; Chochula, P; Chorowicz, V; Cindro, V; Collins, P; Contreras, J L; Contri, R; Cortina, E; Cosme, G; Cossutti, F; Crawley, H B; Crennell, D J; Crosetti, G; Cuevas-Maestro, J; Czellar, S; Dahl-Jensen, Erik; Dahm, J; D'Almagne, B; Dam, M; Damgaard, G; Dauncey, P D; Davenport, Martyn; Da Silva, W; Defoix, C; Deghorain, A; Della Ricca, G; Delpierre, P A; Demaria, N; De Angelis, A; de Boer, Wim; De Brabandere, S; De Clercq, C; La Vaissière, C de; De Lotto, B; De Min, A; De Paula, L S; De Saint-Jean, C; Dijkstra, H; Di Ciaccio, Lucia; Djama, F; Dolbeau, J; Dönszelmann, M; Doroba, K; Dracos, M; Drees, J; Drees, K A; Dris, M; Durand, J D; Edsall, D M; Ehret, R; Eigen, G; Ekelöf, T J C; Ekspong, Gösta; Elsing, M; Engel, J P; Erzen, B; Espirito-Santo, M C; Falk, E; Fassouliotis, D; Feindt, Michael; Fenyuk, A; Ferrer, A; Fichet, S; Filippas-Tassos, A; Firestone, A; Fischer, P A; Föth, H; Fokitis, E; Fontanelli, F; Formenti, F; Franek, B J; Frenkiel, P; Fries, D E C; Frodesen, A G; Frühwirth, R; Fulda-Quenzer, F; Fuster, J A; Galloni, A; Gamba, D; Gandelman, M; García, C; García, J; Gaspar, C; Gasparini, U; Gavillet, P; Gazis, E N; Gelé, D; Gerber, J P; Gibbs, M; Gokieli, R; Golob, B; Gopal, Gian P; Gorn, L; Górski, M; Guz, Yu; Gracco, Valerio; Graziani, E; Grosdidier, G; Grzelak, K; Gumenyuk, S A; Gunnarsson, P; Günther, M; Guy, J; Hahn, F; Hahn, S; Hajduk, Z; Hallgren, A; Hamacher, K; Hao, W; Harris, F J; Hedberg, V; Henriques, R P; Hernández, J J; Herquet, P; Herr, H; Hessing, T L; Higón, E; Hilke, Hans Jürgen; Hill, T S; Holmgren, S O; Holt, P J; Holthuizen, D J; Hoorelbeke, S; Houlden, M A; Hrubec, Josef; Huet, K; Hultqvist, K; Jackson, J N; Jacobsson, R; Jalocha, P; Janik, R; Jarlskog, C; Jarlskog, G; Jarry, P; Jean-Marie, B; Johansson, E K; Jönsson, L B; Jönsson, P E; Joram, Christian; Juillot, P; Kaiser, M; Kapusta, F; Karafasoulis, K; Karlsson, M; Karvelas, E; Katsanevas, S; Katsoufis, E C; Keränen, R; Khokhlov, Yu A; Khomenko, B A; Khovanskii, N N; King, B J; Kjaer, N J; Klein, H; Klovning, A; Kluit, P M; Köne, B; Kokkinias, P; Koratzinos, M; Korcyl, K; Kostyukhin, V; Kourkoumelis, C; Kuznetsov, O; Kramer, P H; Krammer, Manfred; Kreuter, C; Kronkvist, I J; Krumshtein, Z; Krupinski, W; Kubinec, P; Kucewicz, W; Kurvinen, K L; Lacasta, C; Laktineh, I; Lamblot, S; Lamsa, J; Lanceri, L; Lane, D W; Langefeld, P; Lapin, V; Last, I; Laugier, J P; Lauhakangas, R; Ledroit, F; Lefébure, V; Legan, C K; Leitner, R; Lemoigne, Y; Lemonne, J; Lenzen, Georg; Lepeltier, V; Lesiak, T; Libby, J; Liko, D; Lindner, R; Lipniacka, A; Lippi, I; Lörstad, B; Loken, J G; López, J M; Loukas, D; Lutz, P; Lyons, L; MacNaughton, J N; Maehlum, G; Maio, A; Malychev, V; Mandl, F; Marco, J; Marco, R P; Maréchal, B; Margoni, M; Marin, J C; Mariotti, C; Markou, A; Maron, T; Martínez-Rivero, C; Martínez-Vidal, F; Martí i García, S; Matorras, F; Matteuzzi, C; Matthiae, Giorgio; Mazzucato, M; McCubbin, M L; McKay, R; McNulty, R; Medbo, J; Merk, M; Meroni, C; Meyer, S; Meyer, W T; Myagkov, A; Michelotto, M; Migliore, E; Mirabito, L; Mitaroff, Winfried A; Mjörnmark, U; Moa, T; Møller, R; Mönig, K; Monge, M R; Morettini, P; Müller, H; Mundim, L M; Murray, W J; Muryn, B; Myatt, Gerald; Naraghi, F; Navarria, Francesco Luigi; Navas, S; Nawrocki, K; Negri, P; Némécek, S; Neumann, W; Neumeister, N; Nicolaidou, R; Nielsen, B S; Nieuwenhuizen, M; Nikolaenko, V; Niss, P; Nomerotski, A; Normand, Ainsley; Novák, M; Oberschulte-Beckmann, W; Obraztsov, V F; Olshevskii, A G; Onofre, A; Orava, Risto; Österberg, K; Ouraou, A; Paganini, P; Paganoni, M; Pagès, P; Palka, H; Papadopoulou, T D; Papageorgiou, K; Pape, L; Parkes, C; Parodi, F; Passeri, A; Pegoraro, M; Peralta, L; Pernegger, H; Pernicka, Manfred; Perrotta, A; Petridou, C; Petrolini, A; Petrovykh, M; Phillips, H T; Piana, G; Pierre, F; Pimenta, M; Pindo, M; Plaszczynski, S; Podobrin, O; Pol, M E; Polok, G; Poropat, P; Pozdnyakov, V; Prest, M; Privitera, P; Pukhaeva, N; Pullia, Antonio; Radojicic, D; Ragazzi, S; Rahmani, H; Rames, J; Ratoff, P N; Read, A L; Reale, M; Rebecchi, P; Redaelli, N G; Regler, Meinhard; Reid, D; Renton, P B; Resvanis, L K; Richard, F; Richardson, J; Rídky, J; Rinaudo, G; Ripp, I; Romero, A; Roncagliolo, I; Ronchese, P; Roos, L; Rosenberg, E I; Rosso, E; Roudeau, Patrick; Rovelli, T; Rückstuhl, W; Ruhlmann-Kleider, V; Ruiz, A; Rybicki, K; Saarikko, H; Sacquin, Yu; Sadovskii, A; Sahr, O; Sajot, G; Salt, J; Sánchez, J; Sannino, M; Schimmelpfennig, M; Schneider, H; Schwickerath, U; Schyns, M A E; Sciolla, G; Scuri, F; Seager, P; Sedykh, Yu; Segar, A M; Seitz, A; Sekulin, R L; Serbelloni, L; Shellard, R C; Siccama, I; Siegrist, P; Simonetti, S; Simonetto, F; Sissakian, A N; Sitár, B; Skaali, T B; Smadja, G; Smirnov, N; Smirnova, O G; Smith, G R; Solokov, A; Sosnowski, R; Souza-Santos, D; Spiriti, E; Sponholz, P; Squarcia, S; Stanescu, C; Stapnes, Steinar; Stavitski, I; Stevenson, K; Stichelbaut, F; Stocchi, A; Strauss, J; Strub, R; Stugu, B; Szczekowski, M; Szeptycka, M; Tabarelli de Fatis, T; Tavernet, J P; Thomas, J; Tilquin, A; Timmermans, J; Tkatchev, L G; Todorov, T; Todorova, S; Toet, D Z; Tomaradze, A G; Tomé, B; Tonazzo, A; Tortora, L; Tranströmer, G; Treille, D; Trischuk, W; Tristram, G; Trombini, A; Troncon, C; Tsirou, A L; Turluer, M L; Tyapkin, I A; Tyndel, M; Tzamarias, S; Überschär, B; Ullaland, O; Uvarov, V; Valenti, G; Vallazza, E; Van der Velde, C; van Apeldoorn, G W; van Dam, P; Van Doninck, W K; Van Eldik, J; Vassilopoulos, N; Vegni, G; Ventura, L; Venus, W A; Verbeure, F; Verlato, M; Vertogradov, L S; Vilanova, D; Vincent, P; Vitale, L; Vlasov, E; Vodopyanov, A S; Vrba, V; Wahlen, H; Walck, C; Weierstall, M; Weilhammer, Peter; Weiser, C; Wetherell, Alan M; Wicke, D; Wickens, J H; Wielers, M; Wilkinson, G R; Williams, W S C; Winter, M; Witek, M; Woschnagg, K; Yip, K; Yushchenko, O P; Zach, F; Zaitsev, A; Zalewska-Bak, A; Zalewski, Piotr; Zavrtanik, D; Zevgolatakos, E; Zimin, N I; Zito, M; Zontar, D; Zucchelli, G C; Zumerle, G

    1996-01-01

    During the last 1995 data acquisition period at LEP, the DELPHI experiment collected an integrated luminosity of $5.9$ pb$^{-1}$ at centre-of-mass energies of 130 GeV and 136 GeV. Radiative leptonic events ($e, \\mu, \\tau$) with high energy photons were studied and compared to Standard Model predictions. The data were used to search for charged excited leptons decaying through an electromagnetic transition. No significant signal was found. From the search for pair produced excited leptons, the limits $m_{e^*} > 62.5$ GeV/$c^2$, $m_{\\mu^*} > 62.6$ GeV/$c^2$ and $m_{\\tau^*} > 62.2$ GeV/$c^2$ at 95\\% confidence level were established. For single excited lepton production, upper limits on the ratio $\\lambda/m_{\\ell^*}$ of the coupling of the excited charged lepton to its mass were derived.

  19. Radiative transitions in quarkonjum and quantum chromodynamics

    International Nuclear Information System (INIS)

    Khodjamirian, A.Yu.

    1980-01-01

    A new approach to the radiative transitions in quarkonium (c, anti c, b anti b, ...) based on the asymptotic freedom of QCD and on the analyticity is proposed. This approach consists in derivation of dispersion sum rules relating the transition amplitudes with triangle quark diagrams. In this way, a possibility emerges to estimate these amplitudes in a model-independent way. The sum rules are obtained in zeroth order of QCD for transitions between C-even levels 0 ++ , 1 ++ , 2 ++ , 0 -+ and vector (1 -- ) levels. The influence of gluon corrections is discussed and the optimum moments of sum rules are chosen for which these corrections are expected to be at the level of O(αsub(s)) approximately 20%. The widths of radiative transitions in charmonium calculated by means of sum rules turn out to be in agreement with available experimental data. The estimates for analogous transitions in b-quarkonium are also presented. The suggested approach is compared with nonrelativistic models of radiative transitions [ru

  20. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhiraja, Sundaram, E-mail: raja@cat.hokudai.ac.jp; Coote, Michelle L. [ARC Centre of Excellence for Electromaterials Science, Research School of Chemistry, The Australian National University, Canberra, 2601 ACT (Australia); Hasegawa, Jun-ya [Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-Ku, Sapporo 001-0021 (Japan)

    2015-11-28

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

  1. 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''

  2. Structure studies on 82Kr by means of the multiple Coulomb excitation

    International Nuclear Information System (INIS)

    Bruessermann, S.

    1985-01-01

    With a 82 Kr beam of the energy 4.6 MeV per nucleon a 208 Pb target was irradiated in order to study the Coulomb excitation of 82 Kr. The experiment has been performed at the Society for Heavy Ion Research (GSI) in Darmstadt. The 82 Kr ions backscattered on the 208 Pb target were detected in a position-sensitive parallel-plate avalanche detector. The γ radiation of the excited 82 Kr particles was detected in 4 Ge(Li) detectors in coincidence with the particles. The spectra corrected regarding the Doppler shift contained 16 lines which permitted to determine by means of known mixing and branching ratios 22 electrical quadrupole transition matrix elements. The experimental excitation energies and the transition probabilities determined in this thesis are compared with different nuclear models, like the asymmetric rotator model, the rotational-vibrational model, the harmonic-oscillator model, the nuclear field theory, the SU(5) limit of the IBA-1, and the IBA-2 model. Thereby within the IBA-2 model a criterium for the symmetry of the wavefunction relative to the proton and neutron contributions is elaborated. Because of this criterium to the 2 1 + state a symmetric structure and to the 2 2 + ,3 states an asymmetric structure is assigned. (orig.) [de

  3. 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

  4. 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.

  5. Radiation and penetration matrix elements for magnetic quadrupole transitions between Nilsson states in odd nuclei

    International Nuclear Information System (INIS)

    Feresin, A.P.; Guseva, I.S.

    1984-01-01

    Single-particle matrix elements for magnetic quadrupole gamma radiation in odd deformed nuclei, calculated with the aid of Nilsson-potential wave functions, are presented. Also given are the internal conversion penetration matrix elements, calculated in the same manner. The penetration matrix elements are needed to estimate the nuclear penetration parameter, which determines the deviation of experimental internal conversion coefficients from their standard values given in tables. Matrix elements are given for transitions between all pairs of Nilsson single-particle states with ΔN = 1 and ΔK = 0, 1, and 2 for the nuclear shells with 4< or =N< or =7 and for the two deformation values epsilon = 0.2 and 0.3

  6. Magnetic Excitations across the Metal-Insulator Transition in the Pyrochlore Iridate Eu2Ir2O7

    Science.gov (United States)

    Chun, Sae Hwan; Yuan, Bo; Casa, Diego; Kim, Jungho; Kim, Chang-Yong; Tian, Zhaoming; Qiu, Yang; Nakatsuji, Satoru; Kim, Young-June

    2018-04-01

    We report a resonant inelastic x-ray scattering study of the magnetic excitation spectrum in a highly insulating Eu2 Ir2 O7 single crystal that exhibits a metal-insulator transition at TMI=111 (7 ) K . A propagating magnon mode with a 20 meV bandwidth and a 28 meV magnon gap is found in the excitation spectrum at 7 K, which is expected in the all-in-all-out magnetically ordered state. This magnetic excitation exhibits substantial softening as the temperature is raised towards TMI and turns into a highly damped excitation in the paramagnetic phase. Remarkably, the softening occurs throughout the whole Brillouin zone including the zone boundary. This observation is inconsistent with the magnon renormalization expected in a local moment system and indicates that the strength of the electron correlation in Eu2 Ir2 O7 is only moderate, so that electron itinerancy should be taken into account in describing its magnetism.

  7. Coulomb excitation of $^{110}$Sn using REX-ISOLDE

    CERN Document Server

    Ekström, A; Hurst, A; Fahlander, C; Banu, A; Butler, P; Eberth, J; Górska, M; Habs, D; Huyse, M; Kester, O; Niedermayer, O; Nilsson, T; Pantea, M; Scheit, H; Schwalm, D; Sletten, G; Ushasi, D P; Van Duppen, P; Warr, N; Weisshaar, D

    2006-01-01

    In this paper, we report the preliminary result from the first Coulomb excitation experiment at REX-ISOLDE (Habs et al 1998 Nucl. Instrum. Methods B 139 128) using neutron-deficient Sn-beams. The motivation of the experiment is to deduce the reduced transition probability, B(E2 ; 2$^+\\rightarrow$ 0$^+$) , for the sequence of neutron deficient, unstable, even-even Sn-isotopes from using a radioactive beam opens up a new path to study the lifetime of the first excited 2$^+$ state in these isotopes. The de-excitation path following fusion-evaporation reactions will for the even-even Sn isotopes pass via an isomeric 6$^+$ state, located at higher energy, which thus hampers measurements of the lifetime of the first excited state using, e.g., recoil-distance methods. For this reason the reduced transition probability of the first excited 2$^+$ state has remained unknown in this chain of isotopes although the B(E2) value of the stable isotope $^{112}$Sn was measured approximately 30 years ago (see, e.g., Stelson et...

  8. Dynamic modification of the fragmentation of COq+ excited states generated with high-order harmonics

    International Nuclear Information System (INIS)

    Cao, W.; De, S.; Singh, K. P.; Chen, S.; Laurent, G.; Ray, D.; Ben-Itzhak, I.; Cocke, C. L.; Schoeffler, M. S.; Belkacem, A.; Osipov, T.; Rescigno, T.; Alnaser, A. S.; Bocharova, I. A.; Zherebtsov, S.; Kling, M. F.; Litvinyuk, I. V.

    2010-01-01

    The dynamic process of fragmentation of CO q+ excited states is investigated using a pump-probe approach. EUV radiation (32-48 eV) generated by high-order harmonics was used to ionize and excite CO molecules and a time-delayed infrared (IR) pulse (800 nm) was used to influence the evolution of the dissociating multichannel wave packet. Two groups of states, separable experimentally by their kinetic-energy release (KER), are populated by the EUV and lead to C + -O + fragmentation: direct double ionization of the neutral molecule and fragmentation of the cation leading to C + -O*, followed by autoionization of O*. The IR pulse was found to modify the KER of the latter group in a delay-dependent way which is explained with a model calculation.

  9. 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

  10. 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;

  11. Theoretical study on the low-lying excited states of the phosphorus monoiodide (PI) including the spin-orbit coupling

    Science.gov (United States)

    Zhang, Xiaomei; Liu, Xiaoting; Liang, Guiying; Li, Rui; Xu, Haifeng; Yan, Bing

    2016-01-01

    The potential energy curves (PECs) of the 22 Λ-S states of the phosphorus monoiodide (PI) molecule have been calculated at the level of MRCI+Q method with correlation-consistent quadruple-ζ quality basis set. The spectroscopic constants of the bound states are determined, which well reproduce the available measurements. The metastable a1Δ state has been reported for the first time, which lies between the X3Σ- and b1Σ+ states and have much deeper well than the ground state. The R-dependent spin-orbit (SO) matrix elements are calculated with the full-electron Breit-Pauli operator. Based on the SO matrix elements, the perturbations that the 23Π state may suffer from are analyzed in detail. The SOC effect makes the original Λ-S states split into 51 Ω states. In the zero-field splitting of the ground state X3Σ-, the spin-spin coupling contribution (2.23 cm-1) is found to be much smaller compared to the spin-orbit coupling contribution (50 cm-1). The avoided crossings between the Ω states lead to much shallower potential wells and the change of dissociation relationships of the states. The Ω-state wavefunctions are analyzed depending on their Λ-S compositions, showing the strong interactions among several quasidegenerate Λ-S states of the same total SO symmetry. The transition properties including electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition moments (TMs), the Franck-Condon factors, the transition probabilities and the radiative lifetimes are computed for the transitions between Ω components of a1Δ and b1Σ+ states and ground state. The transition probabilities induced by the E1, E2, and M1 transitions are evaluated. The E2 makes little effect on transition probabilities. In contrast, the E1 transition makes the main contribution to the transition probability and the M1 transition also brings the influence that cannot be neglected. Finally, the radiative lifetimes are determined with the transition moments including E

  12. Measured lifetimes of states in 197Au and a critical comparison with the weak-coupling core-excitation model

    International Nuclear Information System (INIS)

    Bolotin, H.H.; Kennedy, D.L.; Linard, B.J.; Stuchbery, A.E.

    1979-01-01

    The lifetimes of five excited states in 197 Au up to an excitation energy of 885 keV were measured by the recoil-distance method (RDM). These levels were populated by Coulomb excitation using both 90 MeV 20 Ne and 120 MeV 35 Cl ion beams. The experimentally determined spectroscopy of the low-lying levels 3/2 + (ground state) and 1/2 + , (3/2) + 2 , 5/2 + and 7/2 + at 77.3, 268.8, 278.9, and 547.5 keV excitation energy, respectively, has been critically compared with the detailed predictions of the de-Shalit weak-coupling core-excitation model. When the model is taken to represent the case of a dsub(3/2) proton hole coupled to a 198 Hg core, the model parameters obtained are in accord with the criteria implicit for weak core coupling and, at the same time, are in remarkably good agreement with virtually all measured E2 and M1 transition rates. (Auth.)

  13. Multielectron transitions following heavy ion excitation: a comparison of self-consistent field calculations with experiment

    International Nuclear Information System (INIS)

    Hodge, W.L. Jr.

    1976-01-01

    A multielectron transition is an atomic transition in which two or three electrons change their states and a single photon is emitted. Although the mechanism was postulated in the thirties and observed in optical spectra, little research has been done since then. Experiments using heavy ion accelerators have measured satellite lines lower in energy than the Kα 12 energy and higher in energy than the Kβ satellite structure. These transitions are multielectron transitions. Experimental spectra of x-ray transitions induced by heavy ion bombardment are presented, and the experimental energies are compared to Hartree-Fock transition energies. The transitions observed lower in energy than the Kα line are two electron--one photon radiative Auger and three electron--one photon radiative electron rearrangement transitions. Experimental data taken at other laboratories have measured satellite lines higher in energy than the Kβ satellite structure. Relativistic Dirac-Fock transition energies will be compared to the experimental energies and the transitions will be shown to be two electron--one photon x-ray transitions. Heavy ion bombardment creates multiple inner shell vacancies so numerous that the satellite lines can be more intense than the diagram lines. Theoretical transition energies from five different self-consistent field atomic physics computer programs will be compared to the Kα satellite and Kα hypersatellite transitions of calcium. Transition energies from Declaux's relativistic Dirac-Fock program will be compared to the diagram lines of uranium and to other theoretical K x-ray transition energies of Z = 120. A discussion of how to calculate the term energies of a given configuration using the Slater F and G integrals is included

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

    Science.gov (United States)

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

    2017-06-01

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

  15. Elucidation of the relationships between H-bonding patterns and excited state dynamics in cyclovalone.

    Science.gov (United States)

    Lamperti, Marco; Maspero, Angelo; Tønnesen, Hanne H; Bondani, Maria; Nardo, Luca

    2014-08-28

    Cyclovalone is a synthetic curcumin derivative in which the keto-enolic system is replaced by a cyclohexanone ring. This modification of the chemical structure might in principle result in an excited state that is more stable than that of curcumin, which in turn should produce an enhanced phototoxicity. Indeed, although curcumin exhibits photosensitized antibacterial activity, this compound is characterized by very fast excited-state dynamics which limit its efficacy as a photosensitizer. In previous works we showed that the main non-radiative decay pathway of keto-enolic curcuminoids is through excited-state transfer of the enolic proton to the keto-oxygen. Another effective deactivation pathway involves an intermolecular charge transfer mechanism occurring at the phenyl rings, made possible by intramolecular H-bonding between the methoxy and the hydroxyl substituent. In this paper we present UV-Vis and IR absorption spectra data with the aim of elucidating the intramolecular charge distribution of this compound and its solvation patterns in different environments, with particular focus on solute-solvent H-bonding features. Moreover, we discuss steady state and time-resolved fluorescence data that aim at characterizing the excited-state dynamics of cyclovalone, and we compare its decay photophysics to that of curcumin. Finally, because during the characterization procedures we found evidence of very fast photodegradation of cyclovalone, its photostability in four organic solvents was studied by HPLC and the corresponding relative degradation rates were calculated.

  16. Elucidation of the Relationships between H-Bonding Patterns and Excited State Dynamics in Cyclovalone

    Directory of Open Access Journals (Sweden)

    Marco Lamperti

    2014-08-01

    Full Text Available Cyclovalone is a synthetic curcumin derivative in which the keto-enolic system is replaced by a cyclohexanone ring. This modification of the chemical structure might in principle result in an excited state that is more stable than that of curcumin, which in turn should produce an enhanced phototoxicity. Indeed, although curcumin exhibits photosensitized antibacterial activity, this compound is characterized by very fast excited-state dynamics which limit its efficacy as a photosensitizer. In previous works we showed that the main non-radiative decay pathway of keto-enolic curcuminoids is through excited-state transfer of the enolic proton to the keto-oxygen. Another effective deactivation pathway involves an intermolecular charge transfer mechanism occurring at the phenyl rings, made possible by intramolecular H-bonding between the methoxy and the hydroxyl substituent. In this paper we present UV-Vis and IR absorption spectra data with the aim of elucidating the intramolecular charge distribution of this compound and its solvation patterns in different environments, with particular focus on solute-solvent H-bonding features. Moreover, we discuss steady state and time-resolved fluorescence data that aim at characterizing the excited-state dynamics of cyclovalone, and we compare its decay photophysics to that of curcumin. Finally, because during the characterization procedures we found evidence of very fast photodegradation of cyclovalone, its photostability in four organic solvents was studied by HPLC and the corresponding relative degradation rates were calculated.

  17. Characterization of radiative properties of Nd{sub 2}O{sub 3} doped phosphate and silicate glasses for solid state laser

    Energy Technology Data Exchange (ETDEWEB)

    Nandi, P., E-mail: pnandi@barc.gov.in; Shukla, R., E-mail: pnandi@barc.gov.in; Goswami, M., E-mail: pnandi@barc.gov.in [Glass and Advanced Materials Division, Bhabha Atomic Research Centre, Mumbai-400085 (India); Sudarsan, V. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)

    2014-04-24

    Nd{sub 2}O{sub 3} doped calcium aluminium phosphate and calcium aluminium silicate glasses prepared to compare their absorption and emission properties. Radiative lifetime of the excited state {sup 4}F{sub 3/2} derived by Judd-Ofelt theory applied to the absorption spectra. Using the photoluminescence spectrometer the steady state emission and relaxation time from excited energy level recorded under green light excitation. Phosphate glass has higher emission cross-section, higher radiative lifetime but less quantum efficiency due to non-radiative quenching through hydroxyl ions compared to silicate glass for Nd{sup 3+}:{sup 4}F{sub 3/2}→{sup 4}I{sub 9/2} emission.

  18. Radiative lifetimes and two-body collisional deactivation rate constants in argon for Kr(4p 55p) and Kr(4p 55p') states

    International Nuclear Information System (INIS)

    Chang, R.S.F.; Horiguchi, H.; Setser, D.W.

    1980-01-01

    The radiative lifetimes and collisional deactivation rate constants, in argon, of eight Kr(4p 5 [ 2 P/sub 1/2/]5p and [ 2 P/sub 3/2/]5p) levels have been measured by a time-resolved laser-induced fluorescence technique in a flowing afterglow apparatus. The measured radiative lifetimes are compared with other experimental values and with theoretical calculations. Radiative branching ratios of these excited states also were measured in order to assign the absolute transition probabilities of the Kr(5p,5p'--5s, 5s') transition array from the radiative lifetimes. In addition to the total deactivation rate constants, product states from two-body collisions between Kr(5p and 5p') atoms and ground state argon atoms were identified from the laser-induced emission spectra, and product formation rate constants were assigned. Two-body intermultiplet transfer from Kr(4p 5 [ 2 P/sub 1/2/]5p) to the Kr(4p 5 [ 2 P/sub 3/2/]4d) levels occurs with ease. Intermultiplet transfer from the lowest level in the (4p 5 5p) configuration to the Kr(4p 5 5s and 5s') manifold was fast despite the large energy defect. However, this was the only Kr(5p) level that gave appreciable transfer to the Kr(5s or 5s') manifold. Generally the favored product states are within a few kT of the entrance channel

  19. Nuclear fission fragment excitation of electronic transition laser media

    International Nuclear Information System (INIS)

    Lorents, D.C.; McCusker, M.V.; Rhodes, C.K.

    1976-01-01

    The properties of high energy electronic transition lasers excited by fission fragments are expanded. Specific characteristics of the media including density, excitation rates, wavelength, kinetics, fissile material, scale size, and medium uniformity are assessed. The use of epithermal neutrons, homogeneously mixed fissile material, and special high cross section nuclear isotopes to optimize coupling of the energy to the medium are shown to be important considerations maximizing the scale size, energy deposition, and medium uniformity. A performance limit point of approximately 1000 J/l in approximately 100 μs pulses is established for a large class of systems operating in the near ultraviolet and visible spectral regions. It is demonstrated that e-beam excitation can be used to simulate nuclear pumping conditions to facilitate the search for candidate media. Experimental data for the kinetics of a XeF* laser operating in Ar/Xe/F 2 /UF 6 mixtures are given. These reactor-pumped systems are suitable for scaling to volumes on the order of (meters) 3

  20. Transition undulator radiation as bright infrared sources

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.J. [Lawrence Berkeley Lab., CA (United States)

    1995-02-01

    Undulator radiation contains, in addition to the usual component with narrow spectral features, a broad-band component in the low frequency region emitted in the near forward direction, peaked at an angle 1/{gamma}, where {gamma} is the relativistic factor. This component is referred to as the transition undulator radiation, as it is caused by the sudden change in the electron`s longitudinal velocity as it enters and leaves the undulator. The characteristic of the transition undulator radiation are analyzed and compared with the infrared radiation from the usual undulator harmonics and from bending magnets.

  1. Quadrupole collective excitations in rapidly rotating nuclej

    International Nuclear Information System (INIS)

    Mikhajlov, I.N.

    1983-01-01

    The spectrum of collective quadrupole excitations in nuclei is investigated. The average nucleus field has the axial symmetry and rotation occurs relatively to this axis. Dependences of the spectrum of quadrupole oscillations on rotation rate for classic liquid drop (CLD) and for a drop of fermi-liquid (DFL) with fissionability parameter X=0.62 ( 154 Er) are presented. The dependence of probabilities of E2-transitions between single-phonon and phonon-free states on rotation rate for CLD and DFL with fussionability parameter X=0.62 ( 154 Er) is also presented. It is shown that for CLD collective E2-transition of states of yrast-consequence is absolutely forbidden. For DFL transitions are possible that lead to decay of phonon-free state with the excitation of phonons of γ-modes and decrease of angular momentum

  2. Structure of transition nuclei states in fermion dynamic-symmetry model

    International Nuclear Information System (INIS)

    Baktybaev, K.; Kojlyk, N.O.; Romankulov, K.

    2007-01-01

    In the paper collective structures of osmium heavy isotopes nucleons are studied. Results of diagonalization of SO(6) symmetric Hamiltonian of fermion-dynamical symmetry-model are comparing with results of other phenomenological methods such as Bohr-Mottelson model and interacting bosons model. For heavy osmium isotopes not only collective excitations spectral bands but also for probability of E2-electromagnet transition are which are compared with existing experimental data. It is revealed, that complexity of state structure for examined nuclei is related with competition and interweaving of rotation and vibration states and also more complicated states of γ instable nature

  3. Microscopic analysis of wobbling excitations in 156Dy and 162Yb

    International Nuclear Information System (INIS)

    Nazmitdinov, R. G.; Kvasil, J.

    2007-01-01

    In the cranked Nilsson-plus-random-phase approximation, we study low-lying quadrupole excitations of positive parity and negative signature in 156 Dy and 162 Yb at high spins. Special attention is paid to a consistent description of wobbling excitations and their identification among excited states. A good agreement between the available experimental data and the results of calculations is obtained. We find that the lowest odd-spin γ-vibrational states in 156 Dy transform into wobbling excitations after the backbending associated with the transition from an axially symmetric shape to a nonaxial shape. Similar results are predicted for 162 Yb. The analysis of electromagnetic transitions uniquely determines the sign of the γ deformation in both nuclei after the transition point

  4. Electron impact excitation of the n = 2 to n = 3 transition in atomic hydrogen near threshold

    Science.gov (United States)

    Hata, J.; Morgan, L. A.; McDowell, M. R. C.

    1980-06-01

    Close-coupling calculations of electron impact excitation of the n = 2 to n = 3 transition of atomic hydrogen at energies below the n = 4 threshold are presented. The algebraic variational close-coupling code of Morgan (1980) with an eighteen-state basis was used to obtain cross sections at eight impact energies from 2.04 to 2.45 eV, and calculations in a six-state close-coupling model were compared with the six-state calculations of Burke et al. (1967). The six-state values are found to be in satisfactory agreement with the exception of the singlet contribution to the 2s-3s transition. Near the n = 3 threshold the cross section obtained in the full calculation is found to be almost a factor of 2 lower than that predicted by Johnson (1972), thus explaining in part the discrepancy between Johnson's results and experiments on hydrogen plasmas. Estimates of rate coefficients based on the cross sections and assuming a Maxwellian velocity distribution, however, are shown to remain in disagreement with experiment.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-01

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

  6. Abnormal photothermal effect of laser radiation on highly defect oxide bronze nanoparticles under the sub-threshold excitation of absorption

    Science.gov (United States)

    Gulyaev, P.; Kotvanova, M.; Omelchenko, A.

    2017-05-01

    The mechanism of abnormal photo-thermal effect of laser radiation on nanoparticles of oxide bronzes has been proposed in this paper. The basic features of the observed effect are: a) sub-threshold absorption of laser radiation by the excitation of donor-like levels formed in the energy gap due to superficial defects of the oxide bronze nano-crystals; b) an interband radiationless transition of energy of excitation on deep triplet levels and c) consequent recombination occurring at the plasmon absorption. K or Na atoms thermally intercalated to the octahedral crystal structure of TiO2 in the wave SHS combustion generate acceptor levels in the gap. The prepared oxide bronzes of the non-stoichiometric composition NaxTiO2 and KxTiO2 were examined by high resolution TEM, and then grinded in a planetary mill with powerful dispersion energy density up to 4000 J/g. This made it possible to obtain nanoparticles about 50 nm with high surface defect density (1017-1019 cm-2 at a depth of 10 nm). High photo-thermal effect of laser radiation on the defect nanocrystals observed after its impregnation into cartilaginous tissue exceeds 7 times in comparison with the intact ones.

  7. Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

    Science.gov (United States)

    Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man

    2014-07-01

    Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

  8. A conceptual design of the set-up for solid state spectroscopy with free electron laser and insertion device radiation

    CERN Document Server

    Makhov, V N

    2001-01-01

    The set-up for complex solid state spectroscopy with the use of enhanced properties of radiation from insertion devices and free electron lasers is proposed. Very high flux and pulsed properties of radiation from insertion devices and free electron lasers offer the possibility for the use of such powerful techniques as electron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) for the studies of excited states of electronic excitations or defects in solids. The power density of radiation can become high enough for one more method of exited-state spectroscopy: transient optical absorption spectroscopy. The set-up is supposed to combine the EPR/ODMR spectrometer, i.e. cryostat supplied with superconducting magnet and microwave system, and the optical channels for excitation (by radiation from insertion devices or free electron laser) and detection of luminescence (i.e. primary and secondary monochromators). The set-up can be used both for 'conventional' spectroscopy of solids (reflec...

  9. 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.

  10. Electron impact excitation of 1'S-2'S transition in helium

    International Nuclear Information System (INIS)

    Mohanty, J.P.; Singh, C.S.

    1989-01-01

    The modified variable-charge Coulomb-projected Born approximation is applied to electron impact excitation of 1 1 S-2 1 S transition in helium. The results are compared with other theoretical and experimental results. (author). 30 refs., 4 figs

  11. Transition radiation spectra of electrons from 1 to 10 GeV/c in regular and irregular radiators

    International Nuclear Information System (INIS)

    Andronic, A.; Appelshaeuser, H.; Bailhache, R.; Baumann, C.; Braun-Munzinger, P.; Bucher, D.; Busch, O.; Catanescu, V.; Chernenko, S.; Christakoglou, P.; Fateev, O.; Freuen, S.; Garabatos, C.; Gottschlag, H.; Gunji, T.; Hamagaki, H.; Herrmann, N.; Hoppe, M.; Lindenstruth, V.; Lippmann, C.; Morino, Y.; Panebratsev, Yu.; Petridis, A.; Petrovici, M.; Rusanov, I.; Sandoval, A.; Saito, S.; Schicker, R.; Soltveit, H.K.; Stachel, J.; Stelzer, H.; Vassiliou, M.; Vulpescu, B.; Wessels, J.P.; Wilk, A.; Yurevich, V.; Zanevsky, Yu.

    2006-01-01

    We present measurements of the spectral distribution of transition radiation generated by electrons of momentum 1-10 GeV/c in different radiator types. We investigate periodic foil radiators and irregular foam and fiber materials. The transition radiation photons are detected by prototypes of the drift chambers to be used in the Transition Radiation Detector (TRD) of the ALICE experiment at CERN, which are filled with a Xe, CO 2 (15%) mixture. The measurements are compared to simulations in order to enhance the quantitative understanding of transition radiation production, in particular the momentum dependence of the transition radiation yield

  12. Continuum radiation of argon plasma

    International Nuclear Information System (INIS)

    D'Yachkov, L.G.

    1995-01-01

    A simple completely analytical method of the calculation of radiative continuum of plasmas is derived and an analysis of experimental data on continuum radiation of argon plasma is made. The method is based on the semiclassical quantum defect theory. To calculate radial matrix elements of dipole transitions the asymptotic expansion in powers of E c /ω 2/3 , with an accuracy to the linear term, where E, is the arithmetic mean of the initial and final energies of the transition, is used. This expansion has the same form for free-free, free-bound and bound-bound transitions. If the quantum defects are also approximated by a linear function of energy, the integration over the electron energy (the Maxwell-Boltzmann distribution is assumed) can be performed in analytical form. For Rydberg states the sum of photoionization continua can be replaced by an integral. We have calculated the absorption coefficient pf argon plasma. The photoionization cross section is calculated for all the states of 4s, 5s, 6s, 4p, 5p, 3d, 4d, 4s', 5s', 6s', 4p', 5p', 3d' and 4d' configurations taking into account P-coupling and multiplet splitting (56 states). Other excited states are allowed for by the integral formula together with free-free transitions

  13. Computational Prediction of Excited-State Carbon Tunneling in the Two Steps of Triplet Zimmerman Di-π-Methane Rearrangement.

    Science.gov (United States)

    Li, Xin; Liao, Tao; Chung, Lung Wa

    2017-11-22

    The photoinduced Zimmerman di-π-methane (DPM) rearrangement of polycyclic molecules to form synthetically useful cyclopropane derivatives was found experimentally to proceed in a triplet excited state. We have applied state-of-the-art quantum mechanical methods, including M06-2X, DLPNO-CCSD(T) and variational transition-state theory with multidimensional tunneling corrections, to an investigation of the reaction rates of the two steps in the triplet DPM rearrangement of dibenzobarrelene, benzobarrelene and barrelene. This study predicts a high probability of carbon tunneling in regions around the two consecutive transition states at 200-300 K, and an enhancement in the rates by 104-276/35-67% with carbon tunneling at 200/300 K. The Arrhenius plots of the rate constants were found to be curved at low temperatures. Moreover, the computed 12 C/ 13 C kinetic isotope effects were affected significantly by carbon tunneling and temperature. Our predictions of electronically excited-state carbon tunneling and two consecutive carbon tunneling are unprecedented. Heavy-atom tunneling in some photoinduced reactions with reactive intermediates and narrow barriers can be potentially observed at relatively low temperature in experiments.

  14. 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.

  15. Relaxation of excited surface states of thin Ge-implanted silica films probed by OSEE spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zatsepin, A.F., E-mail: a.f.zatsepin@urfu.ru [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Buntov, E.A.; Mikhailovich, A.P.; Slesarev, A.I. [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Schmidt, B. [Research Center Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, P.O. Box 510119, D-01314 Dresden (Germany); Czarnowski, A. von; Fitting, Hans-Joachim [Institute of Physics, University of Rostock, Universitätsplatz 3, D-18051 Rostock (Germany)

    2016-01-15

    As an example of thin silica films, 30 nm SiO{sub 2}–Si heterostructures implanted with Ge{sup +} ions (10{sup 16} cm{sup −2} fluence) and rapid thermally annealed (RTA) at 950 °C are studied by means of optically stimulated electron emission (OSEE) in the spectral region of optical transparency for bulk silica. Quartz glass samples were used as references. Experimental data revealed a strong dependence between electron emission spectral features and RTA annealing time. The spectral contributions of both surface band tail states and interband transitions were clearly distinguished. The application of emission Urbach rule as well as Kane and Pässler equations allowed to analyze the OSEE spectra at different optical excitation energy ranges and to retrieve the important microstructural and energy parameters. The observed correlations between parameter values of Urbach- and Kane-related models suggest the implantation-induced conversion of both the vibrational subsystem and energy band of surface and interface electronic states. - Highlights: • Peculiarities of electron emission from excited surface states of SiO{sub 2}:Ge structures are studied. • Spectral contributions of surface band tails and interband transitions are distinguished. • Urbach and Kane models allow to examine photo-thermal emission mechanism. • Surface energy gap and structural disorder parameters are determined.

  16. Nuclear excitations in plasmas: the case of 84mRb

    International Nuclear Information System (INIS)

    Denis-Petit, David

    2014-01-01

    This experimental and theoretical work deals with the Nuclear Excitation by Electron Transition (NEET) process which involves a coupling between the nucleus and its electron cloud. In this process, an electron de-excitation can induce a nuclear excitation if the atomic and nuclear transitions are resonant and have the same multipolarity. This process could be observed in a laser created plasma of 84 Rb because this nucleus has a low energy transition (around 3 keV) between the isomeric state (J π = 6 - ,T 1/2 = 20,26 m) and the J π p= 5 - (T 1/2 = 9 ns) state. To evaluate a NEET excitation rate, the atomic states in plasma must be described and the nuclear transition must be precisely characterised. To describe the atomic states in plasma, a method based on a MCDF (Multi-Configuration Dirac-Fock) code was developed. This one uses a procedure to select the most probable atomic configurations according to the plasma properties. This method was checked by the interpretation of a X-rays spectrum emitted by a Rb plasma. This plasma was produced by the PHELIX laser of the GSI laboratory at an intensity of 6*10 14 W/cm 2 . The energy of the nuclear transition between the states 6 - and 5 - was not accurate enough for the NEET rate evaluation. Two γ-rays spectroscopy experiments were conducted at the ELSA accelerator from CEA/DAM/DIF and at the Tandem accelerator from the Orsay laboratory. The accuracy of the nuclear transition energy was improved of more than one order of magnitude. In this work, the NEET rate was evaluated to predict an experiment. The Rb plasma must have a high temperature (around 400 eV) to obtain a sufficient number of excited isomers and therefore to make possible the detection. (author)

  17. A Study of Radiative Bottomonium Transitions using Converted Photons

    International Nuclear Information System (INIS)

    Lees, J.P.

    2011-01-01

    The authors use (111 ± 1) million Υ(3S) and (89 ± 1) million Υ(2S) events recorded by the BABAR detector at the PEP-II B-factory at SLAC to perform a study of radiative transitions betwen bottomonium states using photons that have been converted to e + e - pairs by the detector material. They observe Υ(3S) → γχ b0,2 (1P) decay, make precise measurements of the branching fractions for χ b1,2 (1P, 2P) → γΥ(1S) and χ b1,2 (2P) → γΥ(2S) decays, and search for radiative decay to the η b (1S) and η b (2S) states.

  18. Coulomb excitation of 189Os

    International Nuclear Information System (INIS)

    Brandao, S.B.

    1987-01-01

    The level structure of 189 Os has been studied by Coulomb excitation using 35 Cl, 28 Si, 16 O beams. GOSIA, a code written to analyze multiple Coulomb excitation, was used to obtain the reduced probabilities of transition B(E2). The results for interband and intraband turned out possible the classification of the states following Nilsson levels. Gamma-rays originating from deexcitation of 216.7 and 219.4 keV have been separated and the reduced probability of transition has been measured. (A.C.A.S.) [pt

  19. A new methodology for measuring time correlations and excite states of atoms and nuclei

    International Nuclear Information System (INIS)

    Cavalcante, M.A.

    1989-01-01

    A system for measuring time correlation of physical phenomena events in the range of 10 -7 to 10 5 sec is proposed, and his results presented. This system, is based on a sequential time scale which is controlled by a precision quartz oscillator; the zero time of observation is set by means of a JK Flip-Flop, which is operated by a negative transition of pulse in coincidence with the pulse from a detector which marks the time zero of the event (precedent pulse). This electronic system (named digital chronoanalizer) was used in the measurement of excited states of nuclei as well as for the determination of time fluctuations in physical phenomena, such as the time lag in a halogen Geiger counter and is the measurement of the 60 KeV excited state of N P 237 . (author)

  20. Transition radiation and diffraction radiation. Similarities and differences

    International Nuclear Information System (INIS)

    Potylitsyn, A.P.

    1998-01-01

    The characteristics of diffraction radiation (DR), i.e. radiation of the charged particle moving near conducting target have been considered for an ultrarelativistic case. The simple expressions for DR fields for the semi-infinite ideal conducting target have been derived. The close connection between transition radiation (TR) and DR has been shown. The effect of finite transversal sizes of target on TR characteristics has been evaluated. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  1. Isovector excitations in charge independent systems

    International Nuclear Information System (INIS)

    Menezes, D.P.

    1986-01-01

    A method for building states with good isospin, from states given by the action of an isovector excitation operator on states of the parent multiplet is developed. This new method is a generalization of Toki's method and is applicable to cases involving any isovector excitation operator and a parent state, which is not a double magic nucleus. Once obtained these states with well defined isospin, it is shown how to do a Tamm-Dancoff calculation for determining the energy levels. The transition matrix elements of an isotensor operator are also calculated. An application of this formalism to the Gamow-Teller transition strength in 90 Zr is studied. In this case, besides the double magic configuration, the 2 particles - 2 holes (Π1g 9/2 ) 2 (υ 2p 1/2 -1 ) 2 configuration is also considered. (author) [pt

  2. Quasi-superradiant soliton state of matter in quantum metamaterials

    Science.gov (United States)

    Asai, Hidehiro; Kawabata, Shiro; Savel'ev, Sergey E.; Zagoskin, Alexandre M.

    2018-02-01

    Strong interaction of a system of quantum emitters (e.g., two-level atoms) with electromagnetic field induces specific correlations in the system accompanied by a drastic increase of emitted radiation (superradiation or superfluorescence). Despite the fact that since its prediction this phenomenon was subject to a vigorous experimental and theoretical research, there remain open question, in particular, concerning the possibility of a first order phase transition to the superradiant state from the vacuum state. In systems of natural and charge-based artificial atom this transition is prohibited by "no-go" theorems. Here we demonstrate numerically and confirm analytically a similar transition in a one-dimensional quantum metamaterial - a chain of artificial atoms (qubits) strongly interacting with classical electromagnetic fields in a transmission line. The system switches from vacuum state to the quasi-superradiant (QS) phase with one or several magnetic solitons and finite average occupation of qubit excited states along the transmission line. A quantum metamaterial in the QS phase circumvents the "no-go" restrictions by considerably decreasing its total energy relative to the vacuum state by exciting nonlinear electromagnetic solitons.

  3. 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.

  4. Identification of excited states in conjugated polymers

    International Nuclear Information System (INIS)

    Hartwell, Lewis John

    2003-01-01

    This thesis reports quasi steady state photoinduced absorption measurements from three conjugated polymers: polypyridine (PPy), polyfluorene (PFO) and the emeraldine base (EB) form of polyaniline. The aim of these experiments was to determine the nature of the photoexcited states existing in these materials in the millisecond time domain, as this has important consequences for the operation of real devices manufactured using these materials. The results from the photoinduced absorption experiments are closely compared with published results from pulse radiolysis experiments. In all cases there is very good correspondence between the two data sets, which has enabled the photoexcited states to be assigned with a high degree of confidence. Quasi steady-state photoinduced absorption involves the measurement of the change in absorption of a material in response to optical excitation with a laser beam. The changes in absorption are small, so a dedicated instrument was developed and optimised for each different sample. Lock-in techniques were used to recover the small signals from the samples. The samples involved were thin films of the polymer spin coated onto sapphire substrates in the cases of PPy and EB. Solution state experiments were conducted on EB. The experiments on PFO were conducted on aligned and unaligned thin films provided by Sony. In the case of the aligned PFO samples, the photoinduced absorption spectrometer was modified to enable polarisation-sensitive data collection. In PPy, both triplet excitons and polarons have been shown to be long-lived photoexcitations, with photoinduced absorption features at 2.29 eV (triplet exciton transition), 1.5 eV and 0.8 eV (polaron transitions). In PFO, the one observed photoinduced band at 1.52 eV is assigned to a triplet exciton. Two photoinduced absorption bands are observed in EB, at 1.4 eV and 0.8 eV. These are assigned to a self-trapped CT singlet exciton and triplet exciton, respectively. (author)

  5. 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

  6. ALICE Transition Radiation Detector (TRD), test beam.

    CERN Multimedia

    2003-01-01

    Electrons and positrons can be discriminated from other charged particles using the emission of transition radiation - X-rays emitted when the particles cross many layers of thin materials. To develop such a Transition Radiation Detector(TRD) for ALICE many detector prototypes were tested in mixed beams of pions and electrons, as in the example shown here.

  7. Excitation gap of fractal quantum hall states in graphene

    International Nuclear Information System (INIS)

    Luo, Wenchen; Chakraborty, Tapash

    2016-01-01

    In the presence of a magnetic field and an external periodic potential the Landau level spectrum of a two-dimensional electron gas exhibits a fractal pattern in the energy spectrum which is described as the Hofstadter’s butterfly. In this work, we develop a Hartree–Fock theory to deal with the electron-electron interaction in the Hofstadter’s butterfly state in a finite-size graphene with periodic boundary conditions, where we include both spin and valley degrees of freedom. We then treat the butterfly state as an electron crystal so that we could obtain the order parameters of the crystal in the momentum space and also in an infinite sample. A phase transition between the liquid phase and the fractal crystal phase can be observed. The excitation gaps obtained in the infinite sample is comparable to those in the finite-size study, and agree with a recent experimental observation. (paper)

  8. Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties.

    Science.gov (United States)

    Freundorfer, Katrin; Kats, Daniel; Korona, Tatiana; Schütz, Martin

    2010-12-28

    A new multistate local CC2 response method for calculating excitation energies and first-order properties of excited triplet states in extended molecular systems is presented. The Laplace transform technique is employed to partition the left/right local CC2 eigenvalue problems as well as the linear equations determining the Lagrange multipliers needed for the properties. The doubles part in the equations can then be inverted on-the-fly and only effective equations for the singles part must be solved iteratively. The local approximation presented here is adaptive and state-specific. The density-fitting method is utilized to approximate the electron-repulsion integrals. The accuracy of the new method is tested by comparison to canonical reference values for a set of 12 test molecules and 62 excited triplet states. As an illustrative application example, the lowest four triplet states of 3-(5-(5-(4-(bis(4-(hexyloxy)phenyl)amino)phenyl)thiophene-2-yl)thiophene-2-yl)-2-cyanoacrylic acid, an organic sensitizer for solar-cell applications, are computed in the present work. No triplet charge-transfer states are detected among these states. This situation contrasts with the singlet states of this molecule, where the lowest singlet state has been recently found to correspond to an excited state with a pronounced charge-transfer character having a large transition strength.

  9. Coulomb Excitation of Neutron Deficient Sn-Isotopes using REX-ISOLDE

    CERN Multimedia

    Di julio, D D; Kownacki, J M; Marechal, F; Andreoiu, C; Siem, S; Perrot, F; Van duppen, P L E; Napiorkowski, P J; Iwanicki, J S

    2002-01-01

    It is proposed to study the evolution of the reduced transition probabilities, B(E2; 0$^{+} \\rightarrow$ 2$^{+}$), for neutron deficient Sn isotopes by Coulomb excitation in inverse kinematics using REX-ISOLDE and the MINIBALL detector array. Measurements of the reduced transition matrix element for the transition between the ground state and the first excited 2$^{+}$ state in light even-even Sn isotopes provide a means to study e.g. core polarization effects in the $^{100}$Sn core. Previous attempts to measure this quantity have been carried out using the decay of isomeric states populated in fusion evaporation reactions. We thus propose to utilize the unique opportunity provided by REX-ISOLDE, after the energy upgrade to 3.1 MeV/u, to use the more model-independent approach of Coulomb excitation to measure this quantity in a number of isotopes in this region.

  10. Electron impact excitation cross sections and rates from the ground state of atomic calcium

    CERN Document Server

    Samson, A M

    2001-01-01

    New R-matrix calculations are presented for electron excitation of atomic calcium. The target state expansion includes 22 states: 4s sup 2 sup 1 S; 4snl sup 1 sup , sup 3 L, where nl is 3d, 4p, 5s, 5p, 4d and 4f; 3d4p sup 1 sup , sup 3 P,D,F; and 4p sup 2 sup 3 P, sup 1 D, sup 1 S terms. The calculation is in LS coupling, and configuration interaction involving 3p subshell correlation is included. Electron impact excitation cross sections from the 4s sup 2 ground state to the next 10 states are tabulated for low energies, and thermally averaged effective collision strengths are tabulated over a range of electron temperatures from 1000 to 10,000 K. Comparisons are made with previous cross sections calculations for the 4s sup 2 -4s4p sup 3 P deg. transition; excellent agreement is found with experimentally derived rates for 4s sup 2 -4s4p sup 1 P deg

  11. Measurements of excited-state-to-excited-state transition probabilities and photoionization cross-sections using laser-induced fluorescence and photoionization signals

    International Nuclear Information System (INIS)

    Shah, M.L.; Sahoo, A.C.; Pulhani, A.K.; Gupta, G.P.; Dikshit, B.; Bhatia, M.S.; Suri, B.M.

    2014-01-01

    Laser-induced photoionization and fluorescence signals were simultaneously observed in atomic samarium using Nd:YAG-pumped dye lasers. Two-color, three-photon photoionization and two-color fluorescence signals were recorded simultaneously as a function of the second-step laser power for two photoionization pathways. The density matrix formalism has been employed to analyze these signals. Two-color laser-induced fluorescence signal depends on the laser powers used for the first and second-step transitions as well as the first and second-step transition probability whereas two-color, three-photon photoionization signal depends on the third-step transition cross-section at the second-step laser wavelength along with the laser powers and transition probability for the first and second-step transitions. Two-color laser-induced fluorescence was used to measure the second-step transition probability. The second-step transition probability obtained was used to infer the photoionization cross-section. Thus, the methodology combining two-color, three-photon photoionization and two-color fluorescence signals in a single experiment has been established for the first time to measure the second-step transition probability as well as the photoionization cross-section. - Highlights: • Laser-induced photoionization and fluorescence signals have been simultaneously observed. • The density matrix formalism has been employed to analyze these signals. • Two-color laser-induced fluorescence was used to measure the second-step transition probability. • The second-step transition probability obtained was used to infer the photoionization cross-section. • Transition probability and photoionization cross-section have been measured in a single experiment

  12. Search for the two-photon decay of the 2+ first excited states in 18O and 28Si

    International Nuclear Information System (INIS)

    Music, M.

    1986-01-01

    The present work describes an attempt to measure the probability for the two-photon transition between two adjacent nuclear states in the presence of an allowed, strongly predominant one-photon decay, using the Heidelberg-Darmstadt Crystal Ball Spectrometer. The branching ratios of the two-photon decay of the first excited, 2 + levels of 18 O and 28 Si relative to the one-photon, E2 transitions to the 0 + ground states were determined to be: Wγγ/Wγ = (0.7±2.4) x 10 -6 for the 2 + >0 + transition in 18 O and Wγγ/Wγ = (1.6±1.8) x 10 -6 for the 2 + >0 + transition in 28 Si. Since both results are consistent with zero, it is possible to express them as the upper limits for the two-photon decay (3 δ) of 7.9 x 10 -6 of 18 O and 6.9 x 10 -6 of 28 Si 2 + levels. These values are by far the smallest ones reported to be observed in a two-photon decay of a nuclear state. For 18 O, the result disproves theoretical estimates of the corresponding two-photon E1F1 matrix element was well as experimental values deduced from multiple-Coulomb-excitation measurements. The main experimental difficulties were caused by the gamma rays from one-photon transitions and were found to be connected with cross-talk events due to Bremsstrahlung of Compton electrons and not - as generally believed - positron annihilation in flight. (orig.)

  13. Electron-impact excitation of atomic-argon 3p54s-3p55p spectral transitions

    International Nuclear Information System (INIS)

    Bogdanova, I.P.; Yurgenson, S.V.

    1990-01-01

    Cross sections of excitation of some spectral lines of argon corresponding to transitions from 3p 5 5p-levels are measured using a pulsed electron beam. Cross sections of level excitation are estimated. It is shown that in transition from 3p 5 4p-levels to 3p 5 5p-levels, the cross section of levels by means of the electron impact decreases 20 times

  14. 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.

  15. Electronically excited and ionized states in condensed phase: Theory and applications

    Science.gov (United States)

    Sadybekov, Arman

    benzene and discussed the impact of these differences on the formation of the excimer state. In chapter 3, we present a theoretical approach for calculating core-level states in condensed phase. The approach is based on EOM-CC and effective fragment potential (EFP) method. By introducing an approximate treatment of double excitations in the EOM-CCSD (EOM-CC with single and double substitutions) ansatz, we addressed poor convergence issues that are encountered for the core-level states and significantly reduced computational costs. While the approximations introduce relatively large errors in the absolute values of transition energies, the errors are systematic. Consequently, chemical shifts, changes in ionization energies relative to the reference systems, are reproduced reasonably well. By using different protonation forms of solvated glycine as a benchmark system, we showed that our protocol is capable of reproducing the experimental chemical shifts with a quantitative accuracy. The results demonstrate that chemical shifts are very sensitive to the solvent interactions and that explicit treatment of solvent, such as EFP, is essential for achieving quantitative accuracy. In chapter 4, we outline future directions and discuss possible applications of the developed computational protocol for prediction of core chemical shifts in larger systems.

  16. Lifetimes of low-lying excited states in 50 36 86Kr

    Science.gov (United States)

    Henderson, J.; Chester, A.; Ball, G. C.; Caballero-Folch, R.; Domingo, T.; Drake, T. E.; Evitts, L. J.; Garnsworthy, A. B.; Hackman, G.; Hallam, S.; Moukaddam, M.; Ruotsalainen, P.; Smallcombe, J.; Smith, J. K.; Starosta, K.; Svensson, C. E.; Williams, J.

    2018-04-01

    Background: The evolution of nuclear magic numbers at extremes of isospin is a topic at the forefront of contemporary nuclear physics. N =50 is a prime example, with increasing experimental data coming to light on potentially doubly magic 100Sn and 78Ni at the proton-rich and proton-deficient extremes, respectively; however, experimental discrepancies exist in the data for less exotic systems. Purpose: In 86Kr the B (E 2 ;21+→01+) value—a key indicator of shell evolution—has been experimentally determined by two different methodologies, with the results deviating by 3 σ . Here, we report on a new high-precision measurement of this value, as well as the first measured lifetimes and hence transition strengths for the 22+ and 3(2) - states in the nucleus. Methods: The Doppler-shift attenuation method was implemented using the TRIUMF-ISAC γ -ray escape-suppressed spectrometer (TIGRESS) γ -ray spectrometer and the TIGRESS integrated plunger device. High-statistics Monte Carlo simulations were utilized to extract lifetimes in accordance with state-of-the-art methodologies. Results: Lifetimes of τ (21+)=336 ±4 (stat.)±20 (sys.) fs, τ (22+)=263 ±9 (stat.)±19 (sys.) fs, and τ (3(2) -)=73 ±6 (stat.)±32 (sys.) fs were extracted. This yields a transition strength for the first-excited state of B (E 2 ;21+→01+)=259 ±3 (stat.)±16 (sys.) e2 fm4. Conclusions: The measured lifetime disagrees with the previous Doppler-shift attenuation method measurement by more than 3 σ , while agreeing well with a previous value extracted from Coulomb excitation. The newly extracted B (E 2 ;21+→01+) value indicates a more significant reduction in the N =50 isotones approaching Z =40 .

  17. 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.

  18. Transition and Electron Impact Excitation Collision Rates for O III

    Science.gov (United States)

    Tayal, S. S.; Zatsarinny, O.

    2017-12-01

    Transition probabilities, electron excitation collision strengths, and rate coefficients for a large number of O III lines over a broad wavelength range, from the infrared to ultraviolet, have been reported. The collision strengths have been calculated in the close-coupling approximation using the B-spline Breit-Pauli R-matrix method. The multiconfiguration Hartree-Fock method in combination with B-spline expansions is employed for an accurate representation of the target wave functions. The close-coupling expansion contains 202 O2+ fine-structure levels of the 2{s}22{p}2,2s2{p}3, 2{p}4,2{s}22p3s,3p,3d, 4s,4p,4d,4f,5s, and 2s2{p}33s,3p,3d configurations. The effective collision strengths are obtained by averaging electron excitation collision strengths over a Maxwellian distribution of velocities at electron temperatures ranging from 100 to 100,000 K. The calculated effective collision strengths have been reported for the 20,302 transitions between all 202 fine-structure levels. There is an overall good agreement with the recent R-matrix calculations by Storey et al. for the transitions between all levels of the ground 2{s}22{p}2 configuration, but significant discrepancies have been found with Palay et al. for transitions to the 2{s}22{p}2 1 S 0 level. Line intensity ratios between the optical lines arising from the 2{s}22{p}2{}3{P}{0,1,2} - 1 D 2 transitions have been compared with other calculations and observations from the photoionized gaseous nebulae, and good agreement is found. The present calculations provide the most complete and accurate data sets, which should allow a more detailed treatment of the available measured spectra from different ground and space observatories.

  19. Sensitive lifetime measurement of excited states of low-abundant isotopes via the (p,p{sup '}γ) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Hennig, Andreas; Derya, Vera; Pickstone, Simon G.; Spieker, Mark; Zilges, Andreas [Institute for Nuclear Physics, University of Cologne (Germany); Mineva, Milena N. [INRNE, Bulgarian Academy of Sciences, Sofia (Bulgaria); Petkov, Pavel [Institute for Nuclear Physics, University of Cologne (Germany); INRNE, Bulgarian Academy of Sciences, Sofia (Bulgaria)

    2015-07-01

    Absolute transition matrix elements are valuable observables in nuclear-structure physics since they are directly related to the nuclear wave functions. A key ingredient to determine transition matrix elements is the measurement of lifetimes of excited states. In a recent experiment, we extracted the lifetimes of 30 excited states of the low-abundant isotope {sup 96}Ru utilizing the Doppler-shift attenuation method (DSAM) in an inelastic proton-scattering experiment and taking advantage of the proton-γ coincidence technique. In contrast to the DSAM technique following inelastic neutron scattering, which was frequently performed to extract comprehensive lifetime information in the sub-picosecond regime, the (p,p{sup '}γ) reaction requires a much less amount of target material and is thus especially suited to investigate low-abundant isotopes. In this contribution, the (p,p{sup '}γ) method for lifetime measurements is presented and the results of recent experiments on {sup 96}Ru, {sup 94}Zr, and {sup 112,114}Sn are shown.

  20. Electronic properties of excited states in single InAs quantum dots; Elektronische Struktur angeregter Zustaende einzelner InAs-Quantenpunkte

    Energy Technology Data Exchange (ETDEWEB)

    Warming, Till

    2009-02-20

    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 ({mu}PLE). One of the main difficulties using {mu}PLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence ({mu}PL) and {mu}PLE 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

  1. Influence of capture to excited states of multiply charged ion beams colliding with small molecules

    International Nuclear Information System (INIS)

    Montenegro, P; Monti, J M; Fojón, O A; Hanssen, J; Rivarola, R D

    2015-01-01

    Electron capture by multiply charged ions impacting on small molecules is theoretically investigated. Particular attention is paid to the case of biological targets. The interest is focused on the importance of the transition to excited final states which can play a dominant role on the total capture cross sections. Projectiles at intermediate and high collision energies are considered. Comparison with existing experimental data is shown. (paper)

  2. Impact of buffer gas quenching on the 1S0 → 1P1 ground-state atomic transition in nobelium

    NARCIS (Netherlands)

    Chhetri, Premaditya; Ackermann, Dieter; Backe, Hartmut; Block, Michael; Cheal, Bradley; Düllmann, Christoph Emanuel; Even, Julia; Ferrer, Rafael; Giacoppo, Francesca; Götz, Stefan; Heßberger, Fritz Peter; Kaleja, Oliver; Khuyagbaatar, Jadambaa; Kunz, Peter; Laatiaoui, Mustapha; Lautenschläger, Felix; Lauth, Werner; Ramirez, Enrique Minaya; Mistry, Andrew Kishor; Raeder, Sebastian; Wraith, Calvin; Walther, Thomas; Yakushev, Alexander

    2017-01-01

    Using the sensitive Radiation Detected Resonance Ionization Spectroscopy (RADRIS) technique an optical transition in neutral nobelium (No, Z = 102) was identified. A remnant signal when delaying the ionizing laser indicated the influence of a strong buffer gas induced de-excitation of the optically

  3. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    International Nuclear Information System (INIS)

    Floris, Franca Maria; Amovilli, Claudio; Filippi, Claudia

    2014-01-01

    We investigate here the vertical n → π * and π → π * transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π * case and also improve considerably the shift for the π → π * transition

  4. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    Science.gov (United States)

    Floris, Franca Maria; Filippi, Claudia; Amovilli, Claudio

    2014-01-01

    We investigate here the vertical n → π* and π → π* transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π* case and also improve considerably the shift for the π → π* transition.

  5. Two-neutrino double-β decay of 150Nd to excited final states in 150Sm

    Science.gov (United States)

    Kidd, M. F.; Esterline, J. H.; Finch, S. W.; Tornow, W.

    2014-11-01

    Background: Double-β decay is a rare nuclear process in which two neutrons in the nucleus are converted to two protons with the emission of two electrons and two electron antineutrinos. Purpose: We measured the half-life of the two-neutrino double-β decay of 150Nd to excited final states of 150Sm by detecting the deexcitation γ rays of the daughter nucleus. Method: This study yields the first detection of the coincidence γ rays from the 0 1+ excited state of 150Sm. These γ rays have energies of 333.97 and 406.52 keV and are emitted in coincidence through a 01+→21+→0gs+ transition. Results: The enriched Nd2O3 sample consisted of 40.13 g 150Nd and was observed for 642.8 days at the Kimballton Underground Research Facility, producing 21.6 net events in the region of interest. This count rate gives a half-life of T1 /2=[1 .07-0.25+0.45(stat ) ±0.07 (syst ) ] ×1020 yr. The effective nuclear matrix element was found to be 0.0465 -0.0054+0.0098. Finally, lower limits were obtained for decays to higher excited final states. Conclusions: Our half-life measurement agrees within uncertainties with another recent measurement in which no coincidence was employed. Our nuclear matrix element calculation may have an impact on a recent neutrinoless double-β decay nuclear matrix element calculation which implies that the decay to the first excited state in 150Sm is favored over that to the ground state.

  6. Variational transition-state theory

    International Nuclear Information System (INIS)

    Truhlar, D.G.; Garrett, B.C.

    1980-01-01

    A general introduction to and some results from studies of a procedure called variational transition-state theory are presented. A fundamental assumption of this theory is that the net rate of forward reaction at equilibrium equals the equilibrium flux in the product direction through the transition state where the transition state is a surface in phase space dividing reactants from products. Classical generalized-transition-state-theory calculations for nine collinear systems are compared to classical trajectory calculations. This new technique should provide useful insight into the successes and failures of the conventional theory and useful quantitative estimates of possible errors on the predictions of conventional transition-state theory. This should also contribute to a more accurate theory now available for the practical calculations of chemical reaction rates and thermochemical and structural interpretations of rate processes

  7. Behavior of Excited Argon Atoms in Inductively Driven Plasmas

    CERN Document Server

    Hebner, G A

    1999-01-01

    Laser induced fluorescence has been used to measure the spatial distribution of the two lowest energy argon excited states, 1s sub 5 and 1s sub 4 , in inductively driven plasmas containing argon, chlorine and boron trichloride. The behavior of the two energy levels with plasma conditions was significantly different, probably because the 1s sub 5 level is metastable and the 1s sub 4 level is radiatively coupled to the ground state but is radiation trapped. The argon data is compared with a global model to identify the relative importance of processes such as electron collisional mixing and radiation trapping. The trends in the data suggest that both processes play a major role in determining the excited state density. At lower rfpower and pressure, excited state spatial distributions in pure argon were peaked in the center of the discharge, with an approximately Gaussian profile. However, for the highest rfpowers and pressures investigated, the spatial distributions tended to flatten in the center of the disch...

  8. Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State.

    Science.gov (United States)

    Lim, A; Foulkes, W M C; Horsfield, A P; Mason, D R; Schleife, A; Draeger, E W; Correa, A A

    2016-01-29

    We use time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy from 1 eV to 100 keV moving through the host. Electronic stopping is found to be significant below the threshold velocity normally identified with transitions across the band gap. A structured crossover at low velocity exists in place of a hard threshold. An analysis of the time dependence of the transition rates using coupled linear rate equations enables one of the excitation mechanisms to be clearly identified: a defect state induced in the gap by the moving ion acts like an elevator and carries electrons across the band gap.

  9. Health transitions, fast and nasty: the case of Marshallese exposure to nuclear radiation.

    Science.gov (United States)

    Pollock, Nancy J

    2002-09-01

    The concept of health transitions assumes that health status improves with the introduction of western medicine. In this paper I demonstrate that the health of the people of Rongelap, Marshall Islands, has undergone serious damage as a result of nuclear testing, and that women in particular have suffered unduly. Exposure to nuclear radiation over a period of almost fifty years has been recognised by US authorities as a major contributory cause to the high rates of cancers and birth defects suffered by the Rongelap people. Women's reproduction has been severely affected, as evidenced by the many stillbirths and small stature of children born alive. Two generations have been exposed to both background radiation and to radiation ingested with the local foods on which they rely in the absence of other food sources. Clean up has commenced only after this and other communities sought compensation from the United States. The Rongelap people will live with the effects of radiation for generations to come. This transition to ongoing health problems is thus a negative outcome of modern health transition.

  10. Pneumatic radiator of transition radiation for large working area arrangements

    International Nuclear Information System (INIS)

    Shikhlyarov, K.K.; Gavalyan, V.G.

    1993-01-01

    An unconventional approach to the constructions of large area regular radiator of X-rays transition radiation is proposed based on the use of a pack of hermetically sealed bags, in which elastic helium layers are formed. A prototype of such a radiator of about 1m 2 area was made for test of the proposed device. 9 refs

  11. 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)

  12. 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

  13. A Comparative Study of H2 Excitation and Physical Conditions in Interstellar and Circumstellar Photo-dissociation Regions

    Science.gov (United States)

    Kaplan, Kyle; Dinerstein, Harriet L.; Jaffe, Daniel Thomas

    2017-06-01

    “Photo-dissociation” or “Photon-dominated” Regions (PDRs) exist in the ISM at the interfaces between photo-ionized and molecular gas, where UV radiation sets the ionization state, chemistry, and excitation at the edge of the molecular zone. In these regions, excited rotational-vibrational (“rovibrational”) states of the ground electronic state of H2 are fluorescently populated when the absorption of far-UV photons conveys the molecules into excited electronic states from which they rapidly decay. Downward transitions from the excited rovibrational states produce a rich spectrum of near-infrared emission lines. Since these quadrupole lines are generally optically thin, their fluxes scale with the populations of the upper levels of the respective transitions, providing excellent probes of the excitation and physical conditions in the emitting regions. We present and compare high resolution (R~45,000) near-infrared (1.45-2.45 μm) spectra, obtained on the 2.7 m Harlan J. Smith Telescope at McDonald Observatory with the Immersion Grating INfrared Spectrometer (IGRINS) (Park et al. 2014, SPIE, 9147, 1), for a variety of Galactic PDRs including regions of high mass star formation, reflection nebulae, and planetary nebulae. Typically a large number of transitions, up to about 100 individual lines, are seen in each source. We fit grids of Cloudy models (Ferland et al. 2013, RMxAA, 49, 137) to the observed H2 emission to constrain physical parameters such as the temperature, density, and UV field of each PDR and explore the similarities and differences between the various environments where PDRs arise.This work used the Immersion Grating INfrared Spectrometer (IGRINS), developed under a collaboration between the University of Texas at Austin and the Korea Astronomy and Space Science Institute (KASI) with the financial support of the US National Science Foundation (NSF grant AST-1229522) to the University of Texas at Austin, and the Korean GMT Project of KASI. We

  14. Sequential double excitations from linear-response time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Mosquera, Martín A.; Ratner, Mark A.; Schatz, George C., E-mail: g-schatz@northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208 (United States); Chen, Lin X. [Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208 (United States); Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Ave., Lemont, Illinois 60439 (United States)

    2016-05-28

    Traditional UV/vis and X-ray spectroscopies focus mainly on the study of excitations starting exclusively from electronic ground states. However there are many experiments where transitions from excited states, both absorption and emission, are probed. In this work we develop a formalism based on linear-response time-dependent density functional theory to investigate spectroscopic properties of excited states. We apply our model to study the excited-state absorption of a diplatinum(II) complex under X-rays, and transient vis/UV absorption of pyrene and azobenzene.

  15. Coherent population transfer and superposition of atomic states via stimulated Raman adiabatic passage using an excited-doublet four-level atom

    International Nuclear Information System (INIS)

    Jin Shiqi; Gong Shangqing; Li Ruxin; Xu Zhizhan

    2004-01-01

    Coherent population transfer and superposition of atomic states via a technique of stimulated Raman adiabatic passage in an excited-doublet four-level atomic system have been analyzed. It is shown that the behavior of adiabatic passage in this system depends crucially on the detunings between the laser frequencies and the corresponding atomic transition frequencies. Particularly, if both the fields are tuned to the center of the two upper levels, the four-level system has two degenerate dark states, although one of them contains the contribution from the excited atomic states. The nonadiabatic coupling of the two degenerate dark states is intrinsic, it originates from the energy difference of the two upper levels. An arbitrary superposition of atomic states can be prepared due to such nonadiabatic coupling effect

  16. Entanglement between electronic states in silicene and photons

    Energy Technology Data Exchange (ETDEWEB)

    Rastgoo, S. [Physics Department, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of); Shirkani, H. [Physics Department, Persian Gulf University, Bushehr 75169 (Iran, Islamic Republic of); Golshan, M.M., E-mail: golshan@susc.ac.ir [Physics Department, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of)

    2015-06-12

    Temporal behavior of entanglement between electrons in silicene and single mode radiations is reported. We show that the corresponding total Hamiltonian and time evolution operators are block diagonal. Initial states are divided into two categories for which buckling and the intrinsic spin–orbit effects are either of opposite or the same signs. Negativity shows that π-electrons and photons periodically become entangled for both categories. The entanglement spontaneously shows abrupt variations when buckling and the spin–orbit effects are equal but opposite in sign, leading to quantum phase transitions. As photonic excitations increase, the entanglement exhibits plateaus of constant durations for such initial states. - Highlights: • Time evolution of entanglement between π-electrons and photons in silicene is reported. • Intrinsic spin–orbit coupling (ISOC) and buckling effect (BE) are taken into account. • Initial states with ISOC and BE of opposite signs show quantum phase transitions. • Quantum phase transitions spontaneously occur when ISOC is equal to BE. • Periodic plateaus of maximal entanglement are observed for high photonic excitations.

  17. Oscillator strengths and radiative rates for transitions in neutral sulfur

    International Nuclear Information System (INIS)

    Deb, N.C.; Hibbert, A.

    2008-01-01

    We present accurate oscillator strengths and radiative rates for 2173 E1 transitions among the 120 levels belonging to 3s 2 3p 4 , 3s3p 5 , and 3s 2 3p 3 ( 4 S o , 2 D o , 2 P o )nl configurations where nl=4s,5s,6s,4p,5p,6p,3d,4d,4f,5f. A configuration interaction approach is employed through the standard CIV3 program. The 114 LS states included in the present calculation generate 250 fine-structure levels belonging to the above configurations below 100,000 cm -1 . However, results of only 120 fine-structure levels are presented due to the absence of experimental energy values for the remaining levels. Tabulations of oscillator strengths and radiative rates, and their comparison with other calculations, are presented in the first two tables. In a separate table the oscillator strengths and transition probabilities, in length and velocity gauges, are presented for 2173 E1 transitions, and are arranged in ascending order of wavelength

  18. 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)

  19. Precision measurement of sub-nanosecond lifetimes of excited nuclear states using fast-timing coincidences with LaBr3(Ce) detectors

    International Nuclear Information System (INIS)

    Regan, P.H.

    2015-01-01

    Precision measurements of electromagnetic (EM) transition rates enable tests of models of internal nuclear structure. Measurements of transition rates can be used to infer the spin and parity differences between the initial and final discrete nuclear excited states via which the EM transition takes place. This short conference paper reports on developments of detection systems for the identification of discrete energy gamma-ray decays using arrays of halide-scintillation detectors acting in coincidence mode, which can be used to determine electromagnetic transition rates between excited nuclear states in the sub-nanosecond temporal regime. Ongoing development of a new multi-detector LaBr 3 (Ce) array for studies of exotic nuclei produced at the upcoming Facility for Anti-Proton and Ion Research (FAIR) as part of the NUSTAR–DESPEC project are presented, together with initial results from pre-NUSTAR implementations of this array for nuclear structure studies of neutron-rich fission fragment radionuclides at ILL-Grenoble, France and RIBF at RIKEN, Japan. - Highlights: • This paper reports on new detection systems for identification of gamma decays. • It focusses on using arrays of halide-scintillation detectors in coincidence mode. • These can determine lifetimes of nuclear states at the sub-ns level. • Plans for new LaBr3(Ce) arrays for studies of exotic nuclei are presented.

  20. Testing an excited-state energy density functional and the associated potential with the ionization potential theorem

    International Nuclear Information System (INIS)

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

    2014-01-01

    The modified local spin density (MLSD) functional and the related local potential for excited states is tested by employing the ionization potential theorem. The exchange functional for an excited state is constructed by splitting k-space. Since its functional derivative cannot be obtained easily, the corresponding exchange potential is given by an analogy to its ground-state counterpart. Further, to calculate the highest occupied orbital energy ϵ max accurately, the potential is corrected for its asymptotic behaviour by employing the van Leeuwen and Baerends (LB) correction to it. ϵ max so obtained is then compared with the ΔSCF ionization energy calculated using the MLSD functional with self-interaction correction for the orbitals involved in the transition. It is shown that the two match quite accurately. The match becomes even better by tuning the LB correction with respect to a parameter in it. (paper)

  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. 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

  3. Quantum versus thermally excited fluxoid transitions in a SQUID ring

    International Nuclear Information System (INIS)

    Kurkijaervi, J.

    1980-01-01

    The possibility of quantum tunneling as a mechanism for fluxoid transitions in a SQUID ring is carefully considered neglecting, however, dissipation arising from the quasiparticle current. The tunneling rates are compared with the thermally excited transition rates. The type of experiment Jackel et al. carried out in order to observe the thermal process is analyzed for observing the quantum tunneling. We find the expected result that the temperature at which the quantum process should begin to dominate depends essentially on ω 0 = 1/√LC of the ring. If an underdamped junction with C -13 F can be made the quantum tunneling temperature range should be easy to attain. (orig.)

  4. Orientation of nuclei excited by polarized neutrons

    International Nuclear Information System (INIS)

    Lifshits, E.P.

    1986-01-01

    Polarization and radiation angular distribution of oriented nuclei in inelastic scattering of polarized neutrons were investigated. Nucleus orientation in the final state was described by polarization density matrix (PDM). If PDM is known, angular distributions, linear and circular polarization of γ-quanta emitted by a nucleus can be determined. Analytical expression for PDM, conditions of its diagonalization in the case of direct nucleus excitation and excitation by the stage of compound nucleus were obtained. Orientation of 12 C nuclei in the excited state 4.439 MeV, 2 + at energy of incident neutrons in the laboratory system from 4.8 MeV (excitation threshold) upt to 9 MeV was calculated as an example. Neutrons in initial state are completely polarized along Z axis. Calculations showed that excitation proceeds mainly by the stage of compound nucleus formation and 12 C nucleus is highly polarized in excited state

  5. Excited state hydrogen bonding fluorescent probe: Role of structure and environment

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Debarati, E-mail: debaratidey07@gmail.com [Department of Chemistry, Vidyasagar College, 39 Sankar Ghosh Lane, Kolkata 700006 (India); Sarangi, Manas Kumar [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Ray, Angana; Bhattacharyya, Dhananjay [Computational Science Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Maity, Dilip Kumar [Department of Chemistry, University College of Science and Technology, 92 A.P.C. Road, Kolkata 700009 (India)

    2016-05-15

    An environment sensitive fluorescent probe, 11-benzoyl-dibenzo[a,c]phenazine (BDBPZ), has been synthesized and characterized that acts via excited state hydrogen bonding (ESHB). On interaction with hydrogen bond donating solvents the fluorescence intensity of BDBPZ increases abruptly with a concomitant bathochromic shift. The extent of fluorescence increment and the red-shift of λ{sub max} depend on hydrogen bond donating ability of the solvent associated. ESHB restricts the free rotation of the benzoyl group and hence blocks the non-radiative deactivation pathway. BDBPZ forms an exciplex with organic amine in nonpolar medium that readily disappears on increasing the polarity of the solvent. In polar environment the fluorescence of both the free molecule and excited state hydrogen bonded species are quenched on addition of amine unlike its parent dibenzo[a,c]phenazine (DBPZ), that remains very much inaccessible towards the solvent as well as quencher molecules due to its structure. This newly synthesized derivative BDBPZ is much more interactive due to the benzoyl group that is flanked outside the skeletal aromatic rings of DBPZ, which helps to sense the environment properly and thus shows better ESHB capacity than DBPZ.

  6. 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.

  7. The effects of tonal and broadband acoustic excitation on the transition process within a laminar separation bubble

    Science.gov (United States)

    Yarusevych, Serhiy; Kurelek, John; Kotsonis, Marios

    2017-11-01

    The effects of controlled acoustic excitation on the transition process in a laminar separation bubble formed on the suction side of a NACA 0018 airfoil at a chord Reynolds number of 125,000 and an angle of attack of 4 degrees are studied experimentally. The investigation is carried out using time-resolved, planar, two-component Particle Image Velocimetry. Two types of excitation are considered: (i) tonal excitation at the frequency of the most unstable disturbances in the natural flow, and (ii) broadband excitation consisting bandpass filtered to the natural unstable frequency range, modelling two common types of airfoil self-noise production. For equal energy input levels, the results show that tonal and broadband types of excitation have equivalent effects on the mean flow field. Specifically, both cause the streamwise extent and height of the bubble to decrease. However, further analysis reveals notable differences in the underlying physics. For the tonal case, the transition process is dominated by the growth of disturbances at the excitation frequency that damps the growth of all other disturbances, leading to the formation of strongly coherent vortices in the aft portion of the separation bubble. On the other hand, broadband excitation promotes more moderate growth of all disturbances within the unstable frequency band, producing less coherent shear layer structures that experience earlier breakdown. Thus, the frequency content of acoustic excitation has a strong influence on the transition process in laminar separation bubbles. The authors gratefully acknowledge the Natural Sciences and Engineering Research Council of Canada (NSERC) for funding this work.

  8. Characterization of Different Types of Excitability in Large Somatosensory Neurons and Its Plastic Changes in Pathological Pain States

    Science.gov (United States)

    Xie, Rou-Gang; Chu, Wen-Guang; Hu, San-Jue; Luo, Ceng

    2018-01-01

    Sensory neuron types have been distinguished by distinct morphological and transcriptional characteristics. Excitability is the most fundamental functional feature of neurons. Mathematical models described by Hodgkin have revealed three types of neuronal excitability based on the relationship between firing frequency and applied current intensity. However, whether natural sensory neurons display different functional characteristics in terms of excitability and whether this excitability type undergoes plastic changes under pathological pain states have remained elusive. Here, by utilizing whole-cell patch clamp recordings, behavioral and pharmacological assays, we demonstrated that large dorsal root ganglion (DRG) neurons can be classified into three classes and four subclasses based on their excitability patterns, which is similar to mathematical models raised by Hodgkin. Analysis of hyperpolarization-activated cation current (Ih) revealed different magnitude of Ih in different excitability types of large DRG neurons, with higher Ih in Class 2-1 than that in Class 1, 2-2 and 3. This indicates a crucial role of Ih in the determination of excitability type of large DRG neurons. More importantly, this pattern of excitability displays plastic changes and transition under pathological pain states caused by peripheral nerve injury. This study sheds new light on the functional characteristics of large DRG neurons and extends functional classification of large DRG neurons by integration of transcriptomic and morphological characteristics. PMID:29303989

  9. Characterization of Different Types of Excitability in Large Somatosensory Neurons and Its Plastic Changes in Pathological Pain States

    Directory of Open Access Journals (Sweden)

    Rou-Gang Xie

    2018-01-01

    Full Text Available Sensory neuron types have been distinguished by distinct morphological and transcriptional characteristics. Excitability is the most fundamental functional feature of neurons. Mathematical models described by Hodgkin have revealed three types of neuronal excitability based on the relationship between firing frequency and applied current intensity. However, whether natural sensory neurons display different functional characteristics in terms of excitability and whether this excitability type undergoes plastic changes under pathological pain states have remained elusive. Here, by utilizing whole-cell patch clamp recordings, behavioral and pharmacological assays, we demonstrated that large dorsal root ganglion (DRG neurons can be classified into three classes and four subclasses based on their excitability patterns, which is similar to mathematical models raised by Hodgkin. Analysis of hyperpolarization-activated cation current (Ih revealed different magnitude of Ih in different excitability types of large DRG neurons, with higher Ih in Class 2-1 than that in Class 1, 2-2 and 3. This indicates a crucial role of Ih in the determination of excitability type of large DRG neurons. More importantly, this pattern of excitability displays plastic changes and transition under pathological pain states caused by peripheral nerve injury. This study sheds new light on the functional characteristics of large DRG neurons and extends functional classification of large DRG neurons by integration of transcriptomic and morphological characteristics.

  10. 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

  11. On the sequentiality of the multiple Coulomb-excitation process

    International Nuclear Information System (INIS)

    Dannhaeuser, G.; Boer, J. de

    1978-01-01

    This paper describes the results of 'computer experiments' illustrating the meaning of a new concept called 'sequentiality'. This concept applies to processes in which the excitation of a given state is mainly accomplished by a large multiple of steps, and it deals with the question as to what extent a transition close to the ground state occurs before one between the highest excited states. (orig.) [de

  12. Excited states of hydrogen shallow impurities in GaAs-Ga Al As quantum wells

    International Nuclear Information System (INIS)

    Neves Carneiro, Gleise das

    1994-01-01

    The study of shallow impurities in semiconductor heterostructures, such as quantum and superlattices, has been of continuous interest over the last years. Successful comparisons between experimental results photoluminescence: N.N Ledentsov et al., Appl. Phys. A 54, 261 (1992) and theoretical calculations [L.E. Oliveira and G.D. Mahan, Phys. Rev. B 47, 2406 (1993)] constitute a strong motivation for an in-depth theoretical study. We present a variational calculation of the binding energies of shallow donors in a Ga-As-AlGaAs quantum well. The energies and variational wave functions associated to the ground state (1s-like) as well as some excited states (2s, 2p xy , 2p xy , 3s, 3p xy , and 3p like) are obtained as functions of the position of the impurity (z i ) in the well. The density of impurity states, intra-donor transition strengths and the infrared absorption spectra are calculated for some of these excited states and results compared with previous theoretical [S. Fraizzoli, F. Bassani, and R. Buczko, Phys. rev. B 41, 5096 (1990)] and experimental works [N.C. Jarosik et al., Phys. Rev. Lett. 54, 1283 (1985). (author)

  13. 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.

  14. Radiative transport and collisional transfer of excitation energy in Cs vapors mixed with Ar or He

    International Nuclear Information System (INIS)

    Vadla, Cedomil; Horvatic, Vlasta; Niemax, Kay

    2003-01-01

    This paper is a review (with a few original additions) on the radiative transport and collisional transfer of energy in laser-excited cesium vapors in the presence of argon or helium. Narrow-band excitation of lines with Lorentz, Doppler and Voigt profiles is studied in order to calculate effective rates for pumping of spectral lines with profiles comprising inhomogeneous broadening components. The radiative transport of excitation energy is considered, and a new, simple and robust, but accurate theoretical method for quantitative treatment of radiation trapping in relatively optically thin media is presented. Furthermore, comprehensive lists of experimental values for the excitation energy transfer cross-sections related to thermal collisions in Cs-Ar and Cs-He mixtures are given. Within the collected cross-section data sets, specific regularities with respect to the energy defect, as well as the temperature, are discerned. A particular emphasis is put on the radiative and collisional processes important for the optimization of resonance-fluorescence imaging atomic filters based on Cs-noble gas systems

  15. 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.

  16. 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.)

  17. On mechanism of Ar(3p54p) states excitation in low-energy Ar-Ar collisions

    International Nuclear Information System (INIS)

    Kurskov, S Y; Kashuba, A S

    2009-01-01

    The present work is devoted to study of Ar(3p 5 4p) states excitation in binary low-energy Ar-Ar collisions. The results of the experimental investigation of excitation cross sections of Ar I 4p'[l/2] 1 , 4p'[3/2] 1 , 4p'[3/2] 2 and 4p[3/2] 2 levels in the collision energy range from threshold up to 500 eV (cm) and degree of polarization for 4s[3/2] 2 0 -4p'[l/2] 1 and 4s[3/2] 2 0 -4p[3/2] 2 transitions in this energy range are represented.

  18. Synthesis of ultrawideband radiation of combined antenna arrays excited by nanosecond bipolar voltage pulses

    International Nuclear Information System (INIS)

    Koshelev, V I; Plisko, V V; Sevostyanov, E A

    2017-01-01

    To broaden the spectrum of high-power ultrawideband radiation, it is suggested to synthesize an electromagnetic pulse summing the pulses of different length in free space. On the example of model pulses corresponding to radiation of combined antennas excited by bipolar voltage pulses of the length of 2 and 3 ns, the possibility of twofold broadening of the radiation spectrum was demonstrated. Radiation pulses with the spectrum width exceeding three octaves were obtained. Pattern formation by the arrays of different geometry excited by the pulses having different time shifts was considered. Optimum array structure with the pattern maximum in the main direction was demonstrated on the example of a 2×2 array. (paper)

  19. Study and characterization of phosphors excited in the V UV and UV range by the synchrotron radiation

    International Nuclear Information System (INIS)

    Gerard, I.

    1993-01-01

    A characterization tool using synchrotron radiation as a light source to record excitation spectra of the visible luminescence of phosphors induced by photons in the V UV and UV range, at several temperatures (10 to 300 K), is developed. The absorption and deexcitation mechanisms in Y F 3 , La F 3 and Th F 4 matrices doped with Eu 3+ , Tb 3+ , Dy 3+ and Er 3+ ions and polluted with oxygen ions, are examined; charge transfer bands appear clearly. The 4 f n to 4 f n-1 5 d transition bands are also observed on the excitation spectra of the visible luminescence of these compounds and two processes are proposed to interpret the energy relaxation. In order to determine the candidates for the color plasma display panel, measurements of luminous and external quantum yields for efficient phosphors are carried out. The Y F 3 :Eu 3+ compound is shown as a good candidate for the red emission in color plasma display panels

  20. The transition radiation. 2. experimental study of the optical transition radiation

    International Nuclear Information System (INIS)

    Couillaud, Ch.; Haouat, G.; Seguin, S.; Striby, S.

    1999-01-01

    Optical-transition-radiation-based diagnostics have been widely used for many years on electron accelerators in order to measure beam energy and transverse and longitudinal emittances. These diagnostics are very attractive for high brightness electron beams used as drivers for radiation sources. Such diagnostics have been performed on the ELSA facility (18 MeV electron energy, 100 A peak current) using both a single interface and an OTR-Wartski interferometer. We present the accelerator, the experimental set-up and the method for analyzing the OTR angular distribution. Then, the experimental results are described and compared with those from the three gradient method. In addition, we present a beam energy measurement using OTR interferogram analysis. (author)

  1. Dissociation dynamics of anionic and excited neutral fragments of gaseous SiCl4 following Cl 2p and Si 2p core-level excitations

    International Nuclear Information System (INIS)

    Chen, J M; Lu, K T; Lee, J M; Chou, T L; Chen, H C; Chen, S A; Haw, S C; Chen, T H

    2008-01-01

    The state-selective dissociation dynamics for anionic and excited neutral fragments of gaseous SiCl 4 following Cl 2p and Si 2p core-level excitations were characterized by combining measurements of the photon-induced anionic dissociation, x-ray absorption and UV/visible dispersed fluorescence. The transitions of core electrons to high Rydberg states/doubly excited states in the vicinity of both Si 2p and Cl 2p ionization thresholds of gaseous SiCl 4 lead to a remarkably enhanced production of anionic, Si - and Cl - , fragments and excited neutral atomic, Si*, fragments. This enhancement via core-level excitation near the ionization threshold of gaseous SiCl 4 is explained in terms of the contributions from the Auger decay of doubly excited states, shake-modified resonant Auger decay, or/and post-collision interaction. These complementary results provide insight into the state-selective anionic and excited neutral fragmentation of gaseous molecules via core-level excitation.

  2. The role of the excited impurity levels on the metal-non metal transition

    International Nuclear Information System (INIS)

    Silva, M.S.F. da; Makler, S.S.; Anda, E.V.

    1983-01-01

    The electronic density of states for the impurity bands in doped semiconductors is calculated using the Green function method. The system is described by a Hamiltonian with local Coulomb interactions represented in a tight binding basis composed by two orbitals per site. The electronic correlation is treated in the CPA approximation. To calculate the configurational average for this structural disordered system a diagrammatic scheme is developed. It represents an extension of the Matsubara and Toyozawa method for the case of two hybridized bands in the presence of electronic correlation. The excited levels show to play a crutial role in the undestanding of the metal-non metal transition. This work represents an improvement of a previous result. The particular case of Si : P is analyzed. (author) [pt

  3. The role of the excited impurity levels on the metal-non metal transition

    International Nuclear Information System (INIS)

    Silva, M.S.F. da; Makler, S.S.; Anda, E.V.

    1983-01-01

    The electronic density of states for the impurity bands in doped semiconductors is calculated using the Green function method. The system is described by a Hamiltonian with local Coulomb interactions represented in a tight binding basis composed by two orbitals per site. The electronic correlation is treated in the CPA approximation. To calculate the configurational average for this structural disordered system a diagrammatic scheme is developed. It represents an extension of the Matsubara and Toyozawa method for the case of two hybridized bands in the presence of electronic correlation. The excited levels shown to play a crutial role in the understanding of the metal-non metal transition. This work represents an improvement of a previous result. The particular case of Si:P is analyzed. (Author) [pt

  4. Transitional millisecond pulsars in the low-level accretion state

    Science.gov (United States)

    Jaodard, Amruta D.; Hessels, Jason W. T.; Archibald, Anne; Bogdanov, Slavko; Deller, Adam; Hernandez Santisteban, Juan; Patruno, Alessandro; D'Angelo, Caroline; Bassa, Cees; Amruta Jaodand

    2018-01-01

    In the canonical pulsar recycling scenario, a slowly spinning neutron star can be rejuvenated to rapid spin rates by the transfer of angular momentum and mass from a binary companion star. Over the last decade, the discovery of three transitional millisecond pulsars (tMSPs) has allowed us to study recycling in detail. These systems transition between accretion-powered (X-ray) and rotation-powered (radio) pulsar states within just a few days, raising questions such as: what triggers the state transition, when does the recycling process truly end, and what will the radio pulsar’s final spin rate be? Systematic multi-wavelength campaigns over the last decade have provided critical insights: multi-year-long, low-level accretion states showing coherent X-ray pulsations; extremely stable, bi-modal X-ray light curves; outflows probed by radio continuum emission; a surprising gamma-ray brightening during accretion, etc. In my thesis I am trying to bring these clues together to understand the low-level accretion process that recycles a pulsar. For example, recently we timed PSR J1023+0038 in the accretion state and found it to be spinning down ~26% faster compared to the non-accreting radio pulsar state. We are currently conducting simultaneous multi-wavelength campaigns (XMM, HST, Kepler and VLA) to understand the global variability of the accretion flow, as well as high-energy Fermi-LAT observations to probe the gamma-ray emission mechanism. I will highlight these recent developments, while also presenting a broad overview of tMSPs as exciting new laboratories to test low-level accretion onto magnetized neutron stars.

  5. New limit for the half-life of double beta decay of {sup 94}Zr to the first excited state of {sup 94}Mo

    Energy Technology Data Exchange (ETDEWEB)

    Dokania, N.; Nanal, V.; Gupta, G.; Pillay, R.G.; Ghosh, C. [Tata Institute of Fundamental Research, Department of Nuclear and Atomic Physics, Mumbai (India); Pal, S. [Tata Institute of Fundamental Research, Pelletron Linac Facility, Mumbai (India); Rath, P.K. [University of Lucknow, Department of Physics, Lucknow (India); Tretyak, V.I. [Institute for Nuclear Research, Kyiv (Ukraine); Garai, A.; Krishnamoorthy, H. [Tata Institute of Fundamental Research, India-based Neutrino Observatory, Mumbai (India); Homi Bhabha National Institute, Mumbai (India); Raina, P.K. [Indian Institute of Technology, Department of Physics, Rupnagar (India); Bhushan, K.G. [Bhabha Atomic Research Centre, Technical Physics Division, Mumbai (India)

    2017-04-15

    Neutrinoless double beta decay is a phenomenon of fundamental interest in particle physics. The decay rates of double beta decay transitions to the excited states can provide input for Nuclear Transition Matrix Element calculations for the relevant two neutrino double beta decay process. It can be useful as supplementary information for the calculation of Nuclear Transition Matrix Element for the neutrinoless double beta decay process. In the present work, double beta decay of {sup 94}Zr to the 2{sup +}{sub 1} excited state of {sup 94}Mo at 871.1 keV is studied using a low background ∝ 230 cm{sup 3} HPGe detector. No evidence of this decay was found with a 232 g.y exposure of natural zirconium. The lower half-life limit obtained for the double beta decay of {sup 94}Zr to the 2{sup +}{sub 1} excited state of {sup 94}Mo is T{sub 1/2}(0ν + 2ν) > 3.4 x 10{sup 19} y at 90% C.L., an improvement by a factor of ∝ 4 over the existing experimental limit at 90% C.L. The sensitivity is estimated to be T{sub 1/2} (0ν + 2ν) > 2.0 x 10{sup 19} y at 90% C.L. using the Feldman-Cousins method. (orig.)

  6. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

    Energy Technology Data Exchange (ETDEWEB)

    Floris, Franca Maria, E-mail: floris@dcci.unipi.it; Amovilli, Claudio [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy); Filippi, Claudia [MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2014-01-21

    We investigate here the vertical n → π{sup *} and π → π{sup *} transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to work with highly correlated electronic wave functions for both the solute ground and excited states and, to study the vertical transitions in the solvent, adopt the commonly used scheme of considering fast and slow dielectric polarization. To perform calculations in a non-equilibrium solvation regime for the solute excited state, we add a correction to the global dielectric polarization charge density, obtained self consistently with the solute ground-state wave function by assuming a linear-response scheme. For the solvent polarization in the field of the solute in the ground state, we use the static dielectric constant while, for the electronic dielectric polarization, we employ the solvent refractive index evaluated at the same frequency of the photon absorbed by the solute for the transition. This choice is shown to be better than adopting the most commonly used value of refractive index measured in the region of visible radiation. Our QMC calculations show that, for standard cavities, the solvatochromic shifts obtained with the PCM are underestimated, even though of the correct sign, for both transitions of acrolein in water. Only by reducing the size of the cavity to values where more than one electron is escaped to the solvent region, we regain the experimental shift for the n → π{sup *} case and also improve considerably the shift for the π → π{sup *} transition.

  7. Optical Properties of Nickel(ii) and Radiation Defects in Magnesium-Fluoride and Manganese-Fluoride

    Science.gov (United States)

    Feuerhelm, Leonard Norman

    1980-12-01

    Scope and Method of Study. A study has been made of the radiation defects in pure MgF(,2) by observating the polarized absorption, luminescence, and excitation spectra in electron-irradiated MgF(,2). Additionally, studies of the absorption, emission, excitation, and temperature dependence of the lifetimes of transitions in nickel-doped MgF(,2) and MnF(,2) have been accomplished, as well as the observation of radiation effects on these crystals. Findings and Conclusions. The absorption band at about 320 nm in irradiated MgF(,2) is identified to be due to the F(,2)(D(,2h)) center, and to have an emission at about 450 nm. Analysis of the temperature dependence of this band indicates a dominant phonon mode of 255 cm(' -1) for the excited state. The F(,2)(C(,1)) center is identified with an absorption of about 360 nm and an emission of 410 nm. An absorption peak at 300 nm, for which no corresponding emission has been found, is tentatively identified to be the F(,3)-center, and to have a dominant phonon mode of 255 cm('-1). The temperature dependence of the lifetimes of transitions in nickel-doped MgF(,2) have been analyzed by the quantum mechanical single configuration coordinate model of Struck and Fonger, and a complete configuration coordinate model has been made for this crystal. Similar studies have been made in MnF(,2):Ni, but energy transfer between Mn('2+) ions and Ni('2+) ions prevents completion of the complete model. Energy transfer in this crystal was studied, with the finding that a gain of about 2 in luminescence output was possible for excitation in the visible region (400-600 nm) as compared with MgF(,2):Ni. The effects of radiation upon the Ni('2+) transitions in these crystals were studied with the finding that no observable change occurred in the Ni('2+) transitions with radiation, although other radiation effects were noted in the crystal.

  8. 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.

  9. How many atoms get excited when they decay?

    DEFF Research Database (Denmark)

    Blocher, Philip Daniel; Mølmer, Klaus

    2017-01-01

    We analyse the time evolution of a two-level system prepared in a superposition of its ground state and radiatively unstable excited state. We show that by choosing appropriate means of detection of the radiated field, we can steer the evolution of the emitter and herald its preparation in the fu...

  10. Non-adiabatic Excited State Molecule Dynamics Modeling of Photochemistry and Photophysics of Materials

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Tammie Renee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tretiak, Sergei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-06

    Understanding and controlling excited state dynamics lies at the heart of all our efforts to design photoactive materials with desired functionality. This tailor-design approach has become the standard for many technological applications (e.g., solar energy harvesting) including the design of organic conjugated electronic materials with applications in photovoltaic and light-emitting devices. Over the years, our team has developed efficient LANL-based codes to model the relevant photophysical processes following photoexcitation (spatial energy transfer, excitation localization/delocalization, and/or charge separation). The developed approach allows the non-radiative relaxation to be followed on up to ~10 ps timescales for large realistic molecules (hundreds of atoms in size) in the realistic solvent dielectric environment. The Collective Electronic Oscillator (CEO) code is used to compute electronic excited states, and the Non-adiabatic Excited State Molecular Dynamics (NA-ESMD) code is used to follow the non-adiabatic dynamics on multiple coupled Born-Oppenheimer potential energy surfaces. Our preliminary NA-ESMD simulations have revealed key photoinduced mechanisms controlling competing interactions and relaxation pathways in complex materials, including organic conjugated polymer materials, and have provided a detailed understanding of photochemical products and intermediates and the internal conversion process during the initiation of energetic materials. This project will be using LANL-based CEO and NA-ESMD codes to model nonradiative relaxation in organic and energetic materials. The NA-ESMD and CEO codes belong to a class of electronic structure/quantum chemistry codes that require large memory, “long-queue-few-core” distribution of resources in order to make useful progress. The NA-ESMD simulations are trivially parallelizable requiring ~300 processors for up to one week runtime to reach a meaningful restart point.

  11. Tunable submillimeter sources applied to the excited state rotational spectroscopy and kinetics of CH3F

    International Nuclear Information System (INIS)

    Blumberg, W.A.M.; Fetterman, H.R.; Peck, D.D.; Goldsmith, P.F.

    1979-01-01

    Tunable submillimeter radiation, generated and detected using optically pumped lasers and Schottky diode mixers, has been used in an infrared-submillimeter double resonance investigation of CH 3 F. This technique permits the direct observation of the molecular rotational spectra and kinetics of excited vibrational states and is particularly important for those molecules which are candidates for optically pumped submillimeter lasers

  12. Ab initio study of the excited-state coupled electron-proton-transfer process in the 2-aminopyridine dimer

    International Nuclear Information System (INIS)

    Sobolewski, Andrzej L.; Domcke, Wolfgang

    2003-01-01

    The low-lying 1 ππ* excited states of the 2-aminopyridine dimer have been investigated with multi-reference ab initio methods (CASSCF and MRMP2). The 2-aminopyridine dimer can be considered as a mimetic model of Watson-Crick DNA base pairs. The reaction path and the energy profile for single proton transfer in the lowest 1 ππ* inter-monomer charge-transfer state have been obtained. A weakly avoided crossing of the 1 ππ* surface with the electronic ground-state surface has been found near the single-proton-transfer minimum of the 1 ππ* surface. From the splitting of the adiabatic surfaces at the avoided crossing, an internal-conversion lifetime of the excited state of <100 ps has been estimated. The potential relevance of these results for the rationalization of radiation-induced mutations and the photostability of the genetic code is briefly discussed

  13. Development and implementation of theoretical methods for the description of electronically core-excited states

    Energy Technology Data Exchange (ETDEWEB)

    Wenzel, Jan

    2016-03-23

    My PhD project mainly consists of two important parts. One was to enhance and develop variants of the core-valence-separation-algebraic-diagrammatic-construction (CVS-ADC) method and implement all approaches efficiently in the adcman program, which is part of the Q-chem program package. Secondly, I benchmarked these implementations and simulated X-ray absorption spectra of small- and medium-sized molecules from different fields. In this thesis, I present my implementations, as well as the results and applications obtained with the CVS-ADC methods and give a general introduction into quantum chemical methods. At first, I implemented the CVS-ADC approach up to the extended second in an efficient way. The program is able to deal with systems up to 500 basis functions in an adequate computational time, which allows for accurate calculations of medium-sized closed-shell molecules, e.g. acenaphthenequinone (ANQ). Afterwards, the CVS-ADC implementation was extended for the first time to deal with open-shell systems, i.e. ions and radicals, which implies a treatment of unrestricted wave functions and spin-orbitals. The resulting method is denoted as CVS-UADC(2)-x. For the first time, I applied the CVS approximation to the the third order ADC scheme, derived the working equations, and implemented the CVS-ADC(3) method in adcman. As the last step, I applied the CVS formalism for the first time to the ISR approach to enable calculations of core-excited state properties and densities. To benchmark all restricted and unrestricted CVS-ADC/CVS-ISR methods up to third order in perturbation theory, I chose a set of small molecules, e.g. carbon monoxide (CO). The calculated values of core-excitation energies, transition moments and static dipole moments are compared with experimental data or other approaches, thereby estimating complete basis set (CBS) limits. Furthermore, a comprehensive study of different basis sets is performed. In combination with the CBS limit of the aug

  14. 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

  15. Microwave ionization and excitation of Ba Rydberg atoms

    International Nuclear Information System (INIS)

    Eichmann, U.; Dexter, J.L.; Xu, E.Y.; Gallagher, T.F.

    1989-01-01

    We have investigated ionization and excitation of the Ba 6sn s 1 S 0 and 6snd 1,3 D 2 series in strong microwave fields. The observed microwave ionization threshold fields, scaling as 0.28 n -5 , and the state mixing fields cannot be completely explained in terms of a single cycle Landau-Zener model. However, by taking into account multiphoton resonant transitions driven by many cycles of the microwave field we have been able to interpret the data. In particular multi-photon transitions have been found to be responsible for apparent resonance structures and for the unexpectedly low mixing fields. Not surprisingly, doubly excited valence states introduce irregularities into both the microwave ionization and the state mixing field values. (orig.)

  16. 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)

  17. 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.

  18. The interference effects in the alignment and orientation of the Kr II 4p45p states following Kr I 3d9np resonance excitation

    International Nuclear Information System (INIS)

    Lagutin, B M; Petrov, I D; Sukhorukov, V L; Demekhin, Ph V; Zimmermann, B; Mickat, S; Kammer, S; Schartner, K-H; Ehresmann, A; Shutov, Yu A; Schmoranzer, H

    2003-01-01

    The energy dependence of the alignment parameter A 20 for the Kr II 4p 4 5p(E 1 J 1 ) states following excitation in the Raman regime with the exciting-photon energy passing through the Kr I 3dJ 9 barnpjbar resonances was investigated theoretically and experimentally. Interference between the resonance and direct photoionization channels explains the dependence of A 20 on the excitation energy. Experimentally, A 20 was determined after the analysis of 5p-5s fluorescence decay of the 4p 4 5p(E 1 J 1 ) states excited with monochromatized synchrotron radiation. The band pass of the synchrotron radiation was set to 10 meV which is smaller than the natural width of the 3d 9 np resonances (∼83 meV). Additionally, a strong energy dependence was predicted for the orientation parameter O 10 as well as for the angular distribution parameter of photoelectrons, β e , for several 4p 4 5p(E 1 J 1 ) ionic states

  19. An experimental and theoretical investigation into the excited electronic states of phenol

    Energy Technology Data Exchange (ETDEWEB)

    Jones, D. B.; Chiari, L. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Lopes, M. C. A. [Departamento de Física, UFJF, Juiz de Fora, MG (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

    2014-08-21

    We present experimental electron-energy loss spectra (EELS) that were measured at impact energies of 20 and 30 eV and at angles of 90° and 10°, respectively, with energy resolution ∼70 meV. EELS for 250 eV incident electron energy over a range of angles between 3° and 50° have also been measured at a moderate energy resolution (∼0.9 eV). The latter spectra were used to derive differential cross sections and generalised oscillator strengths (GOS) for the dipole-allowed electronic transitions, through normalization to data for elastic electron scattering from benzene. Theoretical calculations were performed using time-dependent density functional theory and single-excitation configuration interaction methods. These calculations were used to assign the experimentally measured spectra. Calculated optical oscillator strengths were also compared to those derived from the GOS data. This provides the first investigation of all singlet and triplet excited electronic states of phenol up to the first ionization potential.

  20. 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.

  1. Extensive theoretical study on the excited states of the PCl+ molecule including spin-orbit coupling

    Science.gov (United States)

    Zhang, Xiaomei; Zhai, Hongsheng; Liu, Siyuan; Liu, Yufang

    2017-07-01

    The entire 23 Λ-S states of the PCl+ molecule have been studied by using the high-level relativistic MRCI+Q method with full-electron aug-cc-pCVQZ-DK basis set. The potential energy curves(PECs) and wavefunctions of the states have been calculated. From the PECs, the spectroscopic constants of the bound states are also determined, and the good agreements could be found with the experiments. The high density region of states exhibits many PECs' crossings, which lead to complicated interaction of the states. Here, the interactions arising from the dipolar interaction and spin-orbit coupling (SOC) effect have been discussed in detail. Under the influence of the SOC effect, the A2Π state is perturbed by the 14Σ- state. Considering the SOC effect, total 45 Ω states are generated from the original 23 Λ-S states. The transition properties are also predicted, including the transition dipole moments, Franck-Condon factors, and radiative lifetimes. The lifetimes of the transitions A2Π1/2-X2Π1/2 and A2Π3/2-X2Π3/2 are determined to be 478.9 ns and 487.0 ns(v'=0), respectively.

  2. γ transitions from 30P and 32S nuclei resonance levels

    International Nuclear Information System (INIS)

    Kostin, V.Ya.; Kopanets, E.G.; Koval', A.A.

    1977-01-01

    The probability distributions of dipole and quadrupole electromagnetic transitions from resonance excitation-energy range from 6.2 to 8.3 MeV and from 9.2 to 12.0 MeV respectively, were obtained. An analysis of the distributions shows that isovector dipole electic and magnetic transitions are comparable in magnitude with transitions between bound states. Isoscalar dipole transitions are stronger by an order of magnitude than transitions between bound states. This may be attributed to the increase in isospin mixing in the resonance range of excitation of atomic nuclei. Quadrupole electrical transitions have strengths comparable with those of transitions between bound states. For magnetic quadrupole transitions, a strong increase in transition probabilities compared with transitions between bound states is noted. The isospin selection rules for γ transitions in self-conjugate nuclei are discussed

  3. Aging and Gas Filtration Studies in the ATLAS Transition Radiation Tracker

    CERN Document Server

    Sprachmann, Gerald; Störi, Herbert

    2006-01-01

    The Transition Radiation Tracker (TRT) is one of three particle tracking detectors of the ATLAS Inner Detector whose goal is to exploit the highly exciting new physics potential at CERN's next accelerator, the so-called Large Hadron Collider (LHC). The TRT consists of 370000 straw proportional tubes of 4 mm diameter with a 30 micron anode wire, which will be operated with a Xe/CO2/O2 gas mixture at a high voltage of approximately 1.5 kV. This detector enters a new area that requires it to operate at unprecedented high rates and integrated particle fluxes. Full functionality of the detector over the lifetime (10 years) of the experiment is demanded. Aging of gaseous detectors is a term for the degradation of detector performance during exposure to ionizing radiation. This phenomenon involves very complex physical and chemical processes that are induced by pollution originating from very small amounts of silicon-based substances in some components of the gas system. This work presents a review of previous aging...

  4. Electron-beam-excited gas laser research

    International Nuclear Information System (INIS)

    Johnson, A.W.; Gerardo, J.B.; Patterson, E.L.; Gerber, R.A.; Rice, J.K.; Bingham, F.W.

    1975-01-01

    Net energy gain in laser fusion places requirements on the laser that are not realized by any existing laser. Utilization of relativistic electron beams (REB's), a relatively new source for the excitation of gas laser media, may lead to new lasers that could satisfy these requirements. Already REB's have been utilized to excite gas laser media and produce gas lasers that have not been produced as successfully any other way. Electron-beam-excitation has produced electronic-transition dimer lasers that have not yet been produced by any other excitation scheme (for example, Xe 2 / sup *(1)/, Kr:O(2 1 S)/sup 2/, KrF/sup *(3)/). In addition, REB's have initiated chemical reactions to produce HF laser radiation with unique and promising results. Relativistic-electron-beam gas-laser research is continuing to lead to new lasers with unique properties. Results of work carried out at Sandia Laboratories in this pioneering effort of electron-beam-excited-gas lasers are reviewed. (U.S.)

  5. Two-photon excitation of argon

    International Nuclear Information System (INIS)

    Pindzola, P.S.; Payne, M.C.

    1982-01-01

    The authors calculate two photon excitation parameters for various excited states of argon assuming the absorption of near resonance broad-bandwidth laser radiation. Results are given for the case of two photons absorbed for the same laser beam as well as the case of absorbing photons of different frequency from each of two laser beams. The authors use multiconfiguration Hartree-Fock wave functions to evaluate the second-order sums over matrix elements. Various experimental laser schemes are suggested for the efficient excitation and subsequent ionization of argon

  6. Variational Transition State Theory

    Energy Technology Data Exchange (ETDEWEB)

    Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)

    2016-09-29

    This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

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

    Science.gov (United States)

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

    2017-11-01

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

  8. Transition radiation in metal-metal multilayer nanostructures as a medical source of hard x-ray radiation

    International Nuclear Information System (INIS)

    Pokrovsky, A. L.; Kaplan, A. E.; Shkolnikov, P. L.

    2006-01-01

    We show that a periodic metal-metal multilayer nanostructure can serve as an efficient source of hard x-ray transition radiation. Our research effort is aimed at developing an x-ray source for medical applications, which is based on using low-energy relativistic electrons. The approach toward choosing radiator-spacer couples for the generation of hard x-ray resonant transition radiation by few-MeV electrons traversing solid multilayer structures for the energies of interest to medicine (30-50 keV) changes dramatically compared with that for soft x-ray radiation. We show that one of the main factors in achieving the required resonant line is the absence of the contrast of the refractive indices between the spacer and the radiator at the far wings of the radiation line; for that purpose, the optimal spacer, as a rule, should have a higher atomic number than the radiator. Having experimental goals in mind, we have considered also the unwanted effects due to bremsstrahlung radiation, absorption and scattering of radiated photons, detector-related issues, and inhibited coherence of transition radiation due to random deviation of spacing between the layers. Choosing as a model example a Mo-Ag radiator-spacer pair of materials, we demonstrate that the x-ray transition radiation line can be well resolved with the use of spatial and frequency filtering

  9. 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.

  10. 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

  11. Excitation dynamics and relaxation in a molecular heterodimer

    International Nuclear Information System (INIS)

    Balevičius, V.; Gelzinis, A.; Abramavicius, D.; Mančal, T.; Valkunas, L.

    2012-01-01

    Highlights: ► Dynamics of excitation within a heterogenous molecular dimer. ► Excited states can be swapped due to different reorganization energies of monomers. ► Conventional excitonic basis becomes renormalized due to interaction with the bath. ► Relaxation is independent of mutual positioning of monomeric excited states. -- Abstract: The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two molecules modeled as two-level systems coupled by the resonance interaction. The system-bath coupling is taken into account as a modulating factor of the molecular excitation energy gap, while the relaxation to the ground state is treated phenomenologically. Comparison of the description of the excitation dynamics modeled using either the Redfield equations (secular and full forms) or the Hierarchical quantum master equation (HQME) is demonstrated and discussed. Possible role of the dimer as an excitation quenching center in photosynthesis self-regulation is discussed. It is concluded that the system-bath interaction rather than the excitonic effect determines the excitation quenching ability of such a dimer.

  12. The rotational excitation of HF by H

    Science.gov (United States)

    Desrousseaux, Benjamin; Lique, François

    2018-06-01

    The HF molecule is a key tracer of molecular hydrogen in diffuse interstellar medium (ISM). Accurate modelling of the HF abundance in such media requires one to model its excitation by both radiation and collisions. In diffuse ISM, the dominant collisional partners are atomic and molecular hydrogen. We report quantum time-independent calculations of collisional cross-sections and rate coefficients for the rotational excitation of HF by H. The reactive hydrogen exchange channels are taken into account in the scattering calculations. For the first time, HF-H rate coefficients are provided for temperature ranging from 10 to 500 K. The strongest collision-induced rotational HF transitions are those with Δj = 1, and the order of magnitude of the new HF-H rate coefficients is similar to that of the HF-H2 ones previously computed. As a first application, we simulate the excitation of HF by both H and H2 in typical diffuse ISM. We show that, depending on the rotational transition, hydrogen atoms increase or decrease the simulated excitation temperatures compared to collisional excitation only due to H2 molecules. Such results suggest that the new HF-H collisional data have to be used for properly modelling the abundance of HF in diffuse ISM.

  13. Laser excitation spectroscopy of uranium

    International Nuclear Information System (INIS)

    Solarz, R.W.

    1976-01-01

    Laser excitation spectroscopy, recently applied to uranium enrichment research at LLL, has produced a wealth of new and vitally needed information about the uranium atom and its excited states. Among the data amassed were a large number of cross sections, almost a hundred radiative lifetimes, and many level assignments. Rydberg states, never before observed in uranium or any of the actinides, have been measured and cataloged. This work puts a firm experimental base under laser isotope separation, and permits a choice of the laser frequencies most appropriate for practical uranium enrichment

  14. Theoretical Insights Into the Excited State Double Proton Transfer Mechanism of Deep Red Pigment Alkannin.

    Science.gov (United States)

    Zhao, Jinfeng; Dong, Hao; Zheng, Yujun

    2018-02-08

    As the most important component of deep red pigments, alkannin is investigated theoretically in detail based on time-dependent density functional theory (TDDFT) method. Exploring the dual intramolecular hydrogen bonds (O1-H2···O3 and O4-H5···O6) of alkannin, we confirm the O1-H2···O3 may play a more important role in the first excited state than the O4-H5···O6 one. Infrared (IR) vibrational analyses and subsequent charge redistribution also support this viewpoint. Via constructing the S 1 -state potential energy surface (PES) and searching transition state (TS) structures, we illuminate the excited state double proton transfer (ESDPT) mechanism of alkannin is the stepwise process that can be first launched by the O1-H2···O3 hydrogen bond wire in gas state, acetonitrile (CH 3 CN) and cyclohexane (CYH) solvents. We present a novel mechanism that polar aprotic solvents can contribute to the first-step proton transfer (PT) process in the S 1 state, and nonpolar solvents play important roles in lowering the potential energy barrier of the second-step PT reaction.

  15. Evidence for the formation of a triple radiative exciplex between excited aqua-uranyl(VI) and thallous ion

    International Nuclear Information System (INIS)

    Marcantonatos, M.D.; Deschaux, M.

    1981-01-01

    Results from steady-state and transient photokinetic and spectroscopic measurements, show the formation in aqueous solution of a triple radiative exciplex between excited UO 2+ 2 and T1 + . Rate constants of exciplex formation and deactivation are evaluated. The nature of bonding and the emittive properties of this species, of probable sup(*)(T1 x O identical U identical O x T1) 4+ structure, are discussed. (orig.)

  16. Coherent properties of single quantum dot transitions and single photon emission

    Energy Technology Data Exchange (ETDEWEB)

    Ester, Patrick

    2008-04-23

    In this work, the properties and the different dephasing mechanisms of single QD transitions are analyzed. In addition, some applications are presented which arise due to the properties of the confined exciton. The isolation of a single QD out of the ensemble is achieved via near field shadow masks, which restricts excitation and QD luminescence to a single QD. The integration of a QD-layer into a diode structure allows for an analysis of various dephasing mechanisms of a confined electron hole pair. The single QD is characterized regarding the energy of nearly all possible transitions, e.g. the ground state, excited states, charged states, multiple occupations, and phonon assisted absorptions. A very important issue in this content is the voltage dependence of the transition energy and thereby the ability of tunneling processes of charge carriers in and out of the QD. The QD-states, which are subject of investigation here, are the single exciton ground state, the first excited state (p-shell), and the (GaAs-) LO (longitudinal optical) phonon assisted absorption. By applying a suitable voltage, the resonantly excited ground state exciton is able to decay by a tunneling process, which reflects the transition energy in the photocurrent spectra. The p-shell transition decays by a relaxation process into the ground state, followed by an optical recombination process. The phonon assisted absorption differs from the p-shell transition. The resonant excitation energy fits to the exciton ground state energy plus the energy of a GaAs LO phonon. In this case, the single exciton (ground state) is generated as well as a GaAs LO phonon. These three states are investigated in different respects, such as different applied voltages, excitation polarizations, excitation intensities, and coherent properties. The LO-assisted absorption shows also a saturation behavior. The exciton in the QD is able to interfere with the second laser pulse due to the storage of the phase information

  17. Coherent properties of single quantum dot transitions and single photon emission

    International Nuclear Information System (INIS)

    Ester, Patrick

    2008-01-01

    In this work, the properties and the different dephasing mechanisms of single QD transitions are analyzed. In addition, some applications are presented which arise due to the properties of the confined exciton. The isolation of a single QD out of the ensemble is achieved via near field shadow masks, which restricts excitation and QD luminescence to a single QD. The integration of a QD-layer into a diode structure allows for an analysis of various dephasing mechanisms of a confined electron hole pair. The single QD is characterized regarding the energy of nearly all possible transitions, e.g. the ground state, excited states, charged states, multiple occupations, and phonon assisted absorptions. A very important issue in this content is the voltage dependence of the transition energy and thereby the ability of tunneling processes of charge carriers in and out of the QD. The QD-states, which are subject of investigation here, are the single exciton ground state, the first excited state (p-shell), and the (GaAs-) LO (longitudinal optical) phonon assisted absorption. By applying a suitable voltage, the resonantly excited ground state exciton is able to decay by a tunneling process, which reflects the transition energy in the photocurrent spectra. The p-shell transition decays by a relaxation process into the ground state, followed by an optical recombination process. The phonon assisted absorption differs from the p-shell transition. The resonant excitation energy fits to the exciton ground state energy plus the energy of a GaAs LO phonon. In this case, the single exciton (ground state) is generated as well as a GaAs LO phonon. These three states are investigated in different respects, such as different applied voltages, excitation polarizations, excitation intensities, and coherent properties. The LO-assisted absorption shows also a saturation behavior. The exciton in the QD is able to interfere with the second laser pulse due to the storage of the phase information

  18. 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.

  19. Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.

    Science.gov (United States)

    Guo, Xugeng; Yuan, Huijuan; An, Beibei; Zhu, Qiuling; Zhang, Jinglai

    2016-04-21

    Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S1 state, which may undergo an ultrafast non-radiative deactivation to the S0 state. The lifetime of the S1 state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solventwater has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in watersolution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.

  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.