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Sample records for mev excited state

  1. The Electro-Excitation Form Factors for Ground and 5.65 MeV Excited States of 6Li Nucleus

    International Nuclear Information System (INIS)

    Dakhil, Z.A.; Salih, L.; Al-Qazaz, B.S.

    2010-01-01

    The transverse electron scattering form factors are calculated for the ground state and for the (5.65 MeV) excited state [JπT =1 + 2 0 ] of 6 Li. These form factors are analyzed in the framework of the harmonic oscillator shell model. The two-body interaction of Cohen and Kurath is used to generate the p-shell wave functions. The core polarization effects are included in the calculations through effective g-factors. A higher configuration effect outside the 1p-shell model space enhances the form factors for q-values and reasonably reproduces the data. The results are compared with other theoretical models

  2. Excitation function for the population of the 4.51 MeV state of 27Al inelastic proton scattering. Evidence for 6- strength?

    International Nuclear Information System (INIS)

    Spicer, B.M.; Koutsoliotas, S.

    1995-01-01

    The excitation function for emission of 2.30 MeV gamma rays from the 4.51 MeV state of 27 Al formed in inelastic proton scattering has been measured for proton energies from 5.6 to 7.3 MeV. A resonance previously seen in both inelastic electron and proton scattering from 28 Si at 17.35 MeV has been observed as a resonance in the excitation function, as well as seven other resonances, all of which are narrow (i.e., less than 100 keV wide). It is suggested that these may represent fragments of 6 - strength in 28 Si. 6 refs., 1 tab., 2 figs

  3. Excited states

    CERN Document Server

    Lim, Edward C

    1974-01-01

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

  4. Investigation of transversal nuclear excitation in 208Pb at excitation energies between 6 MeV and 8 MeV using inelastic electron scattering

    International Nuclear Information System (INIS)

    Frey, R.W.

    1978-01-01

    Using high resolution inelastic electron scattering magnitic dipole and quadrupole excitations in 208 Pb were investigated in the energy range between 6 MeV and 8 MeV. The electron energy was 50 MeV and 63.5 MeV. With a mean absolute energy resolution of 33 kev. 44 excited states were found in the above energy range. The measured angular distributions were compared with DWBA-calculations using random phase approximated wave functions. (FKS)

  5. Impact parameter selected nuclear temperatures of hot nuclei from excited state populations for 40Ar+197Au reactions at E/A=25MeV

    International Nuclear Information System (INIS)

    Li Zuyu; He Zhiyong; Duan Limin; Jin Genming; Wu Heyu; Zhang Baoguo; Wen Wanxin; Qi Yujin; Luo Qingzheng; Dai Guangxi; Wang Hongwei

    1997-01-01

    Nuclear temperatures extracted from excited state populations were measured as a function of linear momentum transfer (LMT) for 40 Ar+ 197 Au reactions at 25MeV/nucleon. The emission temperatures increased slightly with increasing linear momentum transfer or decreasing impact parameter. Taking into account the corrections of detection efficiency and sequential feeding from higher-lying states, a temperature of T∼4MeV was deduced for central collisions. For peripheral collisions the extracted temperatures increased with the energy of the particles. (orig.)

  6. Spin and isospin characteristics of the excited states of 36Ar through the reaction 32S(α,γ)36Ar in the bombarding energy range E/sub α/ = 4 to 5 MeV

    International Nuclear Information System (INIS)

    Chakrabarty, D.R.; Eswaran, M.A.; Ragoowansi, N.L.

    1983-01-01

    The α capture reaction 32 S(α,γ) 36 Ar was studied in the bombarding energy range of E/sub α/ = 4.13 to 5.00 MeV corresponding to the excitation energy range of E/sub x/ = 10.31 to 11.08 MeV in 36 Ar. Seven resonances have been located and their resonance strengths determined. Two of the resonances decay predominantly to the ground state while the other five decay predominantly to the first excited state of 36 Ar. Angular distribution measurements of the predominant decay gamma ray have been performed and the spin and parity of all the resonances assigned. The isospin of two of the resonances have been assigned as T = 0 while T = 1 has been assigned for three others. Evidence has been obtained for the operation of the isospin selection rule for the dipole (E1 and M1) and quadrupole (E2) gamma decay

  7. 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

  8. 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

  9. High-resolution Auger spectroscopy on 79 MeV Ar5+, 89 MeV Ar6+, and 136 MeV Ar7+ ions after excitation by helium

    International Nuclear Information System (INIS)

    Schneider, T.

    1988-01-01

    In this thesis the atomic structure of highly excited Ar 6+ and Ar 7+ ions was studied. For this 79 MeV Ar 5+ , 89 MeV Ar 6+ , and 136 MeV Ar 7+ ions of a heavy ion accelerator were excited by a He gas target to autoionizing states and the Auger electrons emitted in the decay were measured in highly-resolving state. The spectra were taken under an observational angle of zero degree relative to the beam axis in order to minimize the kinematical broadening of the Auger lines. (orig./HSI) [de

  10. Spin excitations in 48Ca and 90Zr with 319 MeV protons

    International Nuclear Information System (INIS)

    Nanda, S.K.

    1985-05-01

    Cross sections, analyzing powers, and spin-flip probabilities have been measured in the low momentum transfer region in the 90 Zr(p vector, p' vector) 90 Zr* reaction at 319 MeV. A rich fine structure is observed for the first time in inelastic proton scattering in the previously proposed M1 giant resonance region. Angular distribution of most of these states are consistent with M1 excitation. The excitation energies of the fine structure states are in good agreement with similar structure seen in electron scattering; however, discrepancies in spin assignments remain. The measured cross section for the entire bump is about 37 +- 10% of the Distorted Wave Impulse Approximation (DWIA) prediction for the M1 strength in 90 Zr with simple wave functions. However, an analysis of the fine structure states reveals about 15% of the strength in the M1 region to be due to narrow El states; another 8% is attributed to M2 strength. The spin-flip measurements for 90 Zr reveal a large spin-flip probability value for the M1 region; good agreement is obtained with DWIA calculations. However, a large cross section for spin excitations distributed uniformly over the excitation energy region from about 7 to 25 MeV is observed for the first time. The spin excitation strength in this giant resonance continuum is found to about 0.80 mb/sr/MeV. Angular distributions for the spin-flip cross sections from 7 to 18 MeV in steps of 2 MeV have been analyzed with low multipole spin excitation calculations in the DWIA framework; the observed spin-flip strength in this region is found to be consistent with spin excitation involving angular momentum transfer of up to two. Finally, cross section, analyzing power, and spin-flip probability data have also been obtained for the 10.23 MeV M1 transition in the 48 Ca(p vector, p' vector) 48 Ca* reaction at 319 MeV. The quenching of M1 strength in 48 Ca relative to theoretical predictions is found to be consistent with previous work

  11. Gamma-gamma directional correlations for levels excited up to 2.5 MeV of 214Po

    International Nuclear Information System (INIS)

    Morales, A.; Nunez-Lagos, R.; Morales, J.; Plo, M.

    1984-01-01

    The spin of twenty two excited states (up to an energy of 2.5 MeV) of 214 Po have been measured by using gamma-gamma directional correlation techniques, twelve of them for the first time. The multipole mixing ratios of the corresponding electromagnetic transition from these levels to the first excited level have also been determined. (author)

  12. 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.)

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

    NARCIS (Netherlands)

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

    1994-01-01

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

  14. 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)

  15. 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.

  16. Three-fold increase of M1 strength in 40Ar at 10 MeV excitation energy

    Science.gov (United States)

    Tornow, Werner; Finch, Sean; Krishichayan, Fnu; Tonchev, Anton

    2017-09-01

    We reexamined the excitation energy region of 40Ar around 9.8 MeV with the goal of determining the known M1 strength located at 9.76 MeV more accurately. The physics motivation was based on the fact that i) the neutrino-nucleus interaction cross section is proportional to the M1 strength of a nucleus, ii) DUNE, the Deep Underground Neutrino Experiment at SURF will be using liquid argon as detector medium, iii) the energy spectrum of supernova neutrinos is peaked at approximately 10 MeV. Mono-energetic and linearly polarized photons of 9.88 MeV were produced via Compton backscattering of 548 nm FEL photons from 543 MeV electrons at the High-Intensity γ-ray Source (HI γS) facility at TUNL. The 1.25 cm diameter photon beam with energy spread of 300 keV (FWHM) interacted with argon gas contained in a high-pressure cell. The cell was viewed with HPGe detectors placed at 90o relative to the incident photon beam in the horizontal and vertical planes to distinguish between E1 and M1 de-excitation γ-rays. Our re-measurement provided an increase in M1 strength by a factor of approximately 3, mostly due to the discovery that the known level in 40Ar at 9.84 MeV is of M1 character and not of E1 character, as previously thought. In addition to the already known M1 state at 9.76 MeV, we observed weaker M1 states at 9.70, 9.81, 9.87, and 9.89 MeV.

  17. Gamma rays from the de-excitation of 12C*(15.11MeV) and 12C*(4.44MeV) as probes of energetic particle spectra

    International Nuclear Information System (INIS)

    Crannell, C.J.; Ramaty, R.; Crannell, H.

    1977-01-01

    The flux of 15.11 MeV γ rays relative to the flux 4.44 MeV γ rays has been calculated from measured cross sections for excitation of the corresponding states of 12 C and from experimental determinations of the branching ratios for direct de-excitation of these states to the ground state. Because of the difference in threshold energies for excitation of these two levels, the relative intensities in the two lines are particularly sensitive to the spectral distribution of energetic particles which excite the corresponding nuclear levels. For both solar and cosmic emission, the observability of the 15.11 MeV line is expected to be enhanced by low source-background continuum in this ener

  18. 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

  19. 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

  20. p-p analyzing power excitation function between 510 and 725 MeV

    International Nuclear Information System (INIS)

    Beurtey, R.; Arvieux, J.; Boivin, M.; Boyard, J.L.; Durand, J.M.; Combes-Comets, M.P.; Courtat, P.; Gacougnolle, R.; Le Bornec, Y.; Garcon, M.

    1993-01-01

    In an earlier experiment some evidence was observed for narrow dibaryons in the analyzing power excitation function of p-p elastic scattering at √s=2160 MeV and 2192 MeV, with width Γ≅13-14 MeV. A different procedure has been carried out at the SATURNE synchrotron, in order to obtain a very high accuracy of the analyzing power for a large number of energies between 510 and 725 MeV. The results show no evidence for any structure with width ∼5 to 20 MeV. The reasons at the difference between the two experiments are discussed. (K.A.) 2 refs., 3 figs

  1. 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.

  2. Entanglement entropy of excited states

    International Nuclear Information System (INIS)

    Alba, Vincenzo; Fagotti, Maurizio; Calabrese, Pasquale

    2009-01-01

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

  3. Excitation of the lowest 1- state in 18O by scattering from 16O

    International Nuclear Information System (INIS)

    Carter, J.; Sellschop, J.P.F.; Clarkson, R.G.; Hnizdo, V.; Osterfeld, F.; Frahn, W.E.; Richter, A.

    1981-01-01

    The 1 - (4.45 MeV) state in 18 O, together with the 2 + (1.98 MeV) and 3 - (5.09 MeV) states, were excited by inelastic scattering from 16 O at E(lab)=35 MeV. In an attempt to understand the 1 - excitation, various macroscopic models, including a ralationship derived recently by Frahn, were considered. However, this excitation was found to be best explained by a microscopic description. A comparison is made with inelastic α-scattering from 18 O [af

  4. Statistical density of nuclear excited states

    Directory of Open Access Journals (Sweden)

    V. M. Kolomietz

    2015-10-01

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

  5. POSITRON-ELECTRON DECAY OF SI-28, AT AN EXCITATION-ENERGY OF 50-MEV

    NARCIS (Netherlands)

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

    1993-01-01

    The electron-positron pair decay of Si-28 at 50 MeV excitation produced by the isospin T=0 (alpha + Mg-24) and the mixed isospin T=0,1 (He-3 + Mg-25) reactions has been studied using a special designed Positron-Electron pair spectrometer PEPSI.

  6. Positron-electron decay of 28Si at an excitation energy of 50 MeV

    International Nuclear Information System (INIS)

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

    1993-01-01

    The electron-positron pair decay of 28 Si at 50 MeV excitation produced by the isospin T=0 (α+ 24 Mg) and the mixed isospin T=0, 1 ( 3 He+ 25 Mg) reactions has been studied using a special designed Positron-Electron pair spectrometer PEPSI. (orig.)

  7. Study of the first excited state in 5Li

    International Nuclear Information System (INIS)

    Gagne, R.M.; Fou, C.M.; Ward, S.

    1975-01-01

    The reaction 6 Li( 3 He,α) 5 Li(α)p was studied with a 1.8MeV incident 3 He beam. Coincidence spectra (α-α) were measured at theta 1 =25 deg, 35 deg, 40 deg and theta 2 =-150 deg. The purpose was to locate the first excited state of 5 Li. The analysis yields E(x)=3.2+0.2MeV and GAMMA=1.5+-0.5MeV

  8. Inner hole excitations in 89Zr and 91Mo via the (3He,α) reaction at 97 MeV

    International Nuclear Information System (INIS)

    Duhamel, G.; Perrin, G.; Didelez, J.P.; Gerlic, E.; Langevin-Joliot, H.; Guillot, J.; Van de Wiele, J.

    1981-01-01

    The 89 Zr and 91 Mo nuclei have been investigated up to approximately 25 MeV excitation energy using the ( 3 He,α) reaction at 97.3 MeV incident energy. In addition to the well known low-lying levels and analog states, strongly excited groups of level centered around 4.4 MeV are confirmed to belong to 1fsub(7/2) neutron inner shell in 89 Zr, with at most approximately 50% of the sum rule strength. A corresponding group, with comparable strength, is found for the first time in 91 Mo at nearly the same excitation energy. In addition, and for both nuclei two much smoother structures are observed lying under and beyond the analog states. We discuss their possible attribution respectively to the 1fsub(7/2)T components. Contributions from 1d inner shells are also considered. In both nuclei, new I.A.S. fragments have been identified

  9. Neutron emission in fission of highly excited californium nuclei (E*=76 MeV)

    International Nuclear Information System (INIS)

    Blinov, M.V.; Bordyug, V.M.; Kozulin, Eh.M.; Mozhaev, A.N.; Levitovich, M.; Muzychka, Yu.A.; Penionzhkevich, Yu.Eh.; Pustyl'nik, B.I.

    1990-01-01

    The differential cross sections for neutron production in the fission of highly excited californium nuclei formed in the 238 U+ 12 C (105 MeV) reaction have been measured. From the analysis of the experimental data is follows that the number of pre-fission neutrons substantially exceeds the value obtained in the framework of the standard statistical model. The saddle-to-scission time of the excited nucleus is estimated on the basis of the neutron multiplicity. The dependences of the neutron number and neutron average energies upon the fragment mass are determined

  10. Neutron emission in fission of highly excited californium nuclei (E* = 76 MeV)

    International Nuclear Information System (INIS)

    Blinov, M.V.; Bordyug, V.M.; Kozulin, E.M.; Levitovich, M.; Mozhaev, A.N.; Muzychka, Yu.A.; Penionzhkevich, Yu.E.; Pustyl'nik, B.I.

    1990-01-01

    Differential cross sections for neutron production have been measured in fission of excited californium nuclei produced in the reaction 238 U + 12 C (105 MeV). It follows from analysis of the experimental results that the number of neutrons emitted before fission considerably exceeds the number obtained in the framework of the standard statistical model. On the basis of the multiplicity of neutrons they authors have estimated the time of fission of the excited nucleus. The dependence of the number of neutrons and their average energies on the mass of the fragments is determined

  11. High-sensitivity measurements of the excitation function for Bhabha scattering at MeV energies

    International Nuclear Information System (INIS)

    Tsertos, H.; Kozhuharov, C.; Armbruster, P.; Kienle, P.; Krusche, B.; Schreckenbach, K.

    1989-02-01

    Using a monochromatic e + beam scattered on a Be foil and a high-resolution detector device, the excitation function for elastic e + e - scattering was measured with a statistical accuracy of 0.25% in 1.4 keV steps in the c.m.-energy range between 770 keV and 840 keV (1.79 - 1.86 MeV/c 2 ) at c.m. scattering angles between 80 0 and 100 0 (FWHM). Within the experimental sensitivity of 0.5 b.eV/sr (c.m.) for the energy-integrated differential cross section no resonances were observed (97% CL). From this limit we infer that a hypothetical spinless resonant state should have a width of less than 1.9 meV corresponding to a lifetime limit of 3.5x10 -13 s. This limit establishes the most stringent bound for new particles in this mass range derived from Bhabha scattering and is independent of assumptions about the internal structure of the hypothetical particles. Less sensitivite limits were, in addition, derived around 520 keV c.m. energy (≅ 1.54 MeV/c 2 ) from an investigation with a thorium and a mylar foil as scatterers. (orig.)

  12. Particle decay of (12)Be excited states

    NARCIS (Netherlands)

    Charity, R. J.; Komarov, S. A.; Sobotka, L. G.; Clifford, J.; Bazin, D.; Gade, A.; Lee, Jenny; Lukyanov, S. M.; Lynch, W. G.; Mocko, M.; Lobastov, S. P.; Rogers, A. M.; Sanetullaev, A.; Tsang, M. B.; Wallace, M. S.; Hudan, S.; Metelko, C.; Famiano, M. A.; Wuosmaa, A. H.; van Goethem, M. J.

    2007-01-01

    The breakup of E/A=50 MeV (12)Be fragments following inelastic scattering off of hydrogen and carbon target nuclei has been studied. The breakup channels alpha+(8)He, (6)He+(6)He, t+(9)Li, and p+(11)Li were observed. Two doublets at excitation energies of 12.8 and 15.5 MeV were found for the

  13. Collective and single-particle states at high excitation energy

    International Nuclear Information System (INIS)

    Van den Berg, A.M.; Van der Molen, H.K.T.; Harakeh, M.N.; Akimune, H.; Daito, I.; Fujimura, H.; Fujiwara, M.; Ihara, F.; Inomata, T.

    2000-01-01

    Complete text of publication follows. Damping of high-lying single-particle states was investigated by the study of proton decay from high-lying states in 91 Nb, populated by the 90 Zr(α,t) reaction with E α = 180 MeV. In addition to decay to the ground state of 90 Zr, semi-direct decay was observed to the low-lying (2 + and 3 - ) phonon states, confirming the conclusion from other experiments that these phonon states play an important role in the damping process of the single-particle states. Furthermore, the population and decay of Isobaric Analogue States of 91 Zr, which are located at an excitation energy of about 10 - 12 MeV in 91 Nb, has been studied in the same reaction. (author)

  14. Levels of 16O near 13 MeV excitation from 15N+p reactions

    International Nuclear Information System (INIS)

    Bray, K.H.; Frawley, A.D.; Ophel, T.R.; Barker, F.C.

    1977-02-01

    Angular distributions, a O 0 excitation function and Doppler-broadened γ-ray profiles for the reaction 15 N(p,α 1 γ), and angular distributions for the 15 N(p,αsub(o)) reaction, have been measured for proton energies from about 900 to 1250 keV. These data, together with analysing powers from the 15 N(p,αsub(o)) reaction with polarized protons, have been satisfactorily fitted by means of R-matrix theory, in terms of the known levels of 16 O in the 13 MeV region together with background contributions. (Author)

  15. 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

  16. 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

  17. Double excitation of helium by 3 MeV proton impact: experiment and theory

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Gleizes, A.; Moretto-Capelle, P.; Benoit-Cattin, P. (Toulouse-3 Univ., 31 (France). Centre de Physique Atomique); Andriamonje, S. (Bordeaux-1 Univ., 33 -Gradignan (France)); Martin, F. (Universidad Autonoma de Madrid (Spain). Dept. de Quimica); Salin, A. (Bordeaux-1 Univ., 33 - Talence (France))

    1992-08-14

    Doubly differential cross sections for the double excitation of helium by high velocity protons are measured and compared with the predictions of the first-order Born approximation. Preliminary experimental data for the shapes and intensities of the resonances 2s[sup 2] [sup 1]S, 2p[sup 2] [sup 1]D and 2s2p [sup 1]P have been obtained from high resolution electron spectra at 20[sup o], 90[sup o] and 150[sup o] for a proton energy of 3 MeV. Both experiment and theory show that the excitation of the [sup 1]P resonance largely exceeds the [sup 1]D and [sup 1]S ones at this collision velocity. The shape and emission yield of the [sup 1]P line is well described by theory over the whole angular range. The agreement for the other two resonances is not always satisfactory. (author).

  18. 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

  19. 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....

  20. 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)

  1. 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.

  2. 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

  3. Excited states in 146Sm and 147Sm

    International Nuclear Information System (INIS)

    Kownacki, J.; Sujkowski, Z.; Hammaren, E.; Liukkonen, E.; Piiparinen, M.; Lindblad, Th.; Ryde, H.

    1979-10-01

    The sup(144,146)Nd(α,xn) and sup(146,148)Nd( 3 He,xn) reactions with Esub(α) = 20 - 43 MeV and E 3 sub(He) = 19 - 27 MeV are used to investigate excited states in the isotopes 146 Sm and 147 Sm. The experiments involve measurements of singles γ-ray spectra and conversion electron spectra, γ-ray angular distributions and three parameter (E sub(γ)E sub(γ) time) coincidences. From these experiments information is obtained for states with spin up to I = 13 + and I = 27/2 - , respectively, These states are interpeted within the framework of the cluster-vibration model (CVM) as well as the shell model. (author)

  4. Autoionization spectra of He excited by fast (MeV) H+, He+, and Li/sup n+/ (n = 1,2,3) ions

    International Nuclear Information System (INIS)

    Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

    1983-01-01

    Autoionization spectra of He following excitation by 1 to 3 MeV H + , He + , and Li/sup n+/ (n = 1,2,3) have been measured as a function of observation angle. The (2p 2 ) 1 D and (2s2p) 1 P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found

  5. Autoionization spectra of He excited by fast (MeV) H/sup +/, He/sup +/, and Li/sup n+/ (n = 1,2,3) ions

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

    1983-01-01

    Autoionization spectra of He following excitation by 1 to 3 MeV H/sup +/, He/sup +/, and Li/sup n+/ (n = 1,2,3) have been measured as a function of observation angle. The (2p/sup 2/)/sup 1/D and (2s2p)/sup 1/P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found.

  6. Excitation energy partition in deeply inelastic collisions between 40Ar and Ag at 27 MeV per nucleon

    International Nuclear Information System (INIS)

    Borderie, B.; Rivet, M.F.; Cabot, C.; Fuchs, H.; Gardes, D.; Hanappe, F.; Jouan, D.; Montoya, M.

    1991-01-01

    The dynamics of the two partners produced in dissipative collisions has been experimentally studied for the system 40 Ar+Ag at 27 MeV per nucleon. Primary masses of the fragments can then be calculated; the excitation energy partition between the two fragments is derived from the number of particles evaporated by each fragment. We found that this division evolves from equipartition to a repartition close to thermal equilibrium in the excitation energy range 300-350 MeV or interaction times 5-10x10 -22 s. (orig.)

  7. 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

  8. 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.

  9. 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....

  10. Energy dependence of isovector and isoscalar 1+ excitations in 28Si(p,p/sup '/) between 200 and 400 MeV

    International Nuclear Information System (INIS)

    Haeusser, O.; Sawafta, R.; Jeppesen, R.G.

    1988-01-01

    Forward-angle cross sections for 1 + , T = 1 and 1 + , T = 0 states in 28 Si excited by the (p,p') reaction have been measured to determine the energy dependence of important pieces of the effective nucleon-nucleus interaction. The isovector spin-transfer transitions depend on energy as expected from distorted-wave impulse approximation calculations based on the dominant V/sub Σ//sub tau/ part of the Franey-Love interaction. The parts of this interaction responsible for exciting the 9.5 MeV isosca- lar spin-flip transition predict a weaker energy dependence than is observed experimentally. The summed Gamow-Teller strength for isovector transitions below 14.5 MeV is found to be (0.89 +- 0.09) times the result of large-scale shell model calculations

  11. The 257 MeV 19/2/sup -/ two-phonon octupole state in /sup 147/Gd

    CERN Document Server

    Kleinheinz, P; Kortelahti, M; Piiparinen, M; Styczen, J

    1981-01-01

    The half-life of the (vf/sub 7/2/*3/sup -/*3/sup -/)/sub 19/2-/ two- phonon octupole states at 2.572 MeV in /sup 147/Gd was measured as T /sub 1/2/=0.37(8) ns, which gives a transition strength of 52(15) WU for the 1525 keV E3 transition to the 0.997 MeV (vf/sub 7/2/*3/sup -/) /sub 13/2+/ one transition to the 0.997 MeV ( nu f/sub 7/2/*3/sup -/) /sub 13/2+/ one phonon excitation. The nu i/sub 13/2/ admixture in the 13/2/sup +/ one-phonon state, as well as the dominant pi h/sub 11/2/d /sub 5//sup -1/2/ component of the /sup 146/Gd 3/sup -/ state give rise to large anharmonicities for the two-phonon excitation. An estimate of the energy shifts based on empirical coupling matrix elements gives 2.66 MeV excitation for the 19/2/sup -/ two-phonon state, in good agreement with the observed energy of that state. (9 refs).

  12. 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)

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

    International Nuclear Information System (INIS)

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

    1977-01-01

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

  14. Lifetime measurements of the excited states in {sup 145} Sm

    Energy Technology Data Exchange (ETDEWEB)

    El-Badry, A M; Abdel Samie, Sh; Ahmad, A A [Depatment of Physics, Faculty of Science, ElMinia University, ElMinia, (Egypt); Kuroyanagi, T; Odahara, A; Gono, Y; Morinobu, S [Tandem Accelerator Laboratory, Department of Physics, Kyushu University, (Japan)

    1997-12-31

    Lifetime of the excited levels in {sup 145} Sm has been measured through the {sup 139} La ({sup 10} B, 4 n){sup 145} Sm nuclear reaction. The optimal beam energy of 49 MeV was determined from the measurements of the excitation function and Cascade program. With the possibility of studying lifetime of this nucleus a conventional plunger system have been designed and constructed at kyushu University tandem accelerator laboratory. A La target of 0.22 mg/cm{sup 2} thickness which was evaporated onto a Au foil of 2 mg/cm{sup 2} thickness was used. Since the recoil velocity was estimated to be 1.76 mm/ns (beta 0.00585), the measurable time range resulted in the range from 5 Ps to 5 ns. The single spectra measurements were performed at the 20 plunger positions in the range from 10 {mu} to 10 mm. Analyses of the data were carried using hypermet and/or GF2 program to obtain the lifetimes. A new list of lifetimes for 12 excited states up to 3.922 MeV excitations for {sup 145} Sm were determined for the first time. Decay curves of the these transitions are discussed. The new lifetimes of excited states in {sup 145} Sm enabled us to understand the electromagnetic properties. The deduced transition probabilities were established and compared with that of N = 83 isotones and the closed shell nucleus {sup 144} Sm. In addition, a nuclear structure of {sup 145} Sm have been discussed and proposed in framework of the shell model. 4 figs., 1 tab.

  15. 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

  16. 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;

  17. States in 94Zr from 94Zr(d,d')94Zr* at 15.5 Mev

    International Nuclear Information System (INIS)

    Frota-Pessoa, E.; Joffily, S.

    1986-01-01

    94 energy levels up to approx. 4.3 Mev excitation energy are studied in the 94 Zr(d,d') 94 Zr* reaction. Deuterons had a bombarding energy of 15.5 MeV. The emergent deuterons were analysed by a magnetic spectrograph and the detector was nuclear emulsion. The resolution in energy was about 11 KeV. The distorted-wave analysis was used to determine the l transferred, the β 2 l and J Π values for some 94 Zr excited states. These results are compared with previous ones. 32 levels of excitation energy in 94 Zr were found which did not appear in previous 94 Zr(d,d') reactions. 20 levels do not correspond to the ones. (Author) [pt

  18. 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

  19. 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

  20. Radioactive nuclide production and isomeric state branching ratios in P + W reactions to 200 mev

    International Nuclear Information System (INIS)

    Young, P.G.; Chadwick, M.B.

    1995-01-01

    Calculations of nuclide yields from spallation reactions usually assume that the products are formed in their ground states. We are performing calculations of product yields from proton reactions on tungsten isotopes that explicitly account for formation of the residual nuclei in excited states. The Hauser-Feshbach statistical/preequilibrium code GNASH, with full accounting for angular momentum conservation and electromagnetic transitions, is utilized in the calculations. We present preliminary results for isomer branching ratios for proton reactions to 200 MeV for several products including the 31-y, 16+ state in l78 Hf and the 25-d, 25/2- state in 179 Hf. Knowledge of such branching ratios, might be important for concepts such as accelerator production of tritium that utilize intermediate-energy proton reactions on tungsten

  1. 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)

  2. 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

  3. 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.

  4. 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

  5. Spin-isospin excitation in sd-shell nuclei studied by the (d,2He) reaction at Ed=270MeV

    International Nuclear Information System (INIS)

    Niizeki, T.; Ohnuma, H.; Yamamoto, T.; Katoh, K.; Yamashita, T.; Hara, Y.; Okamura, H.; Sakai, H.; Ishida, S.; Sakamoto, N.; Otsu, H.; Wakasa, T.; Uesaka, T.; Satou, Y.; Fujita, T.; Ichihara, T.; Orihara, H.; Toyokawa, H.; Hatanaka, K.; Kato, S.; Kubono, S.; Yosoi, M.

    1994-01-01

    The (d, 2 He) reactions on 24 Mg, 26 Mg and 28 Si were studied at E d =270MeV. The 0 cross sections obtained for the 1 + states from the 24 Mg, 28 Si(d, 2 He) reactions show a good correlation with those from the mirror (p,n) reactions. Four peaks were identified in the 26 Mg(d, 2 He) 26 Ne reaction as being due to the 1 + excitation. The B(GT + ) values for these transitions were estimated and compared with the shell model prediction. ((orig.))

  6. Excitation functions of inelastic and transfer channels in {sup 12} C+{sup 12} C around E{sub c.m.} = 32.5 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Szilner, S.; Basrak, Z.; Freeman, R.M.; Haas, F.; Beck, C. [Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires]|[Strasbourg-1 Univ., 67 (France); Morsad, A. [Universite Hassan II, Casablanca (Morocco). Faculte des Sciences

    1996-12-31

    A prominent and wide resonance centered at E{sub c.m.} = 32.5 MeV has recently been found in the (0{sub 2}{sup +}, 0{sub 2}{sup +}) inelastic channel of the {sup 12}C+{sup 12}C reaction. It has been suggested that it corresponds to a 6{alpha}-particle-chain state in {sup 24}Mg. In the present work we study {sup 12}C+{sup 12}C excitation functions between center-of-mass energies of 30 and 35 MeV in steps of 250 keV for weakly populated outgoing channels. We present the inelastic channels to the states above the {alpha}-particle decay threshold, (0{sub 1}{sup +},0{sub 2}{sup +}), (0{sub 1}{sup +},3{sub 1}{sup -}), and (0{sub 1}{sup +},4{sub 1}{sup 4}), and the one- and two-nucleon transfer channels. In the inelastic and the transfer channels we observe correlated intermediate-width structures at E{sub c.m.} = 31, 32.5, and 33.5 MeV, whose widths are appreciably smaller than the width measured in the (0{sub 2}{sup +},0{sub 2}{sup +}) channel. Our E{sub c.m.} = 31, 32.5, and 33.5 MeV, whose widths are appreciably smaller than the width measured in the (0{sub 2}{sup +},0{sub 2}{sup +}) channel. Our E{sub c.m.} = 32.5 MeV angular distribution of the (0{sub 1}{sup +},0{sub 2}{sup +})channel exhibits oscillatory behavior and, unlike that of the (0{sup +}{sub 2}, 0{sup +}{sub 2}) channel, does not display enhancement around {Theta}{sub c.m.} = 90 deg. Data were collected via the kinematic coincidence technique. For data reduction we use a novel approach allowing for the extraction of results on non-binary channels. (authors). 39 refs.

  7. 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).

  8. Absence of large M1 excitations in 208Pb below 8.4 MeV

    International Nuclear Information System (INIS)

    Holt, R.J.; Jackson, H.E.; Laszewski, R.M.; Specht, J.R.

    1979-01-01

    A very high-resolution measurement of the 208 Pb(γ-n 0 ) 207 Pb reaction was performed by use of the unique picopulse and the newly-installed neutron flight paths at the ANL electron linac facility. The 7.99-MeV resonance (E/sub n/ = 610 keV) exhibited a level-level interference pattern with the 7.98-MeV, E1 resonance in 208 Pb. 1 figure

  9. 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.

  10. 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.)

  11. Photoresponse of 60Ni below 10-MeV excitation energy: Evolution of dipole resonances in fp-shell nuclei near N=Z

    Science.gov (United States)

    Scheck, M.; Ponomarev, V. Yu.; Fritzsche, M.; Joubert, J.; Aumann, T.; Beller, J.; Isaak, J.; Kelley, J. H.; Kwan, E.; Pietralla, N.; Raut, R.; Romig, C.; Rusev, G.; Savran, D.; Schorrenberger, L.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zilges, A.; Zweidinger, M.

    2013-10-01

    Background: Within the last decade, below the giant dipole resonance the existence of a concentration of additional electric dipole strength has been established. This accumulation of low-lying E1 strength is commonly referred to as pygmy dipole resonance (PDR).Purpose: The photoresponse of 60Ni has been investigated experimentally and theoretically to test the evolution of the PDR in a nucleus with only a small neutron excess. Furthermore, the isoscalar and isovector M1 resonances were investigated.Method: Spin-1 states were excited by exploiting the (γ,γ') nuclear resonance fluorescence technique with unpolarized continuous bremsstrahlung as well as with fully linearly polarized, quasimonochromatic, Compton-backscattered laser photons in the entrance channel of the reaction.Results: Up to 10 MeV a detailed picture of J=1 levels was obtained. For the preponderant number of the individual levels spin and parity were firmly assigned. Furthermore, branching ratios, transition widths, and reduced B(E1) or B(M1) excitation probability were calculated from the measured scattering cross sections. A comparison with theoretical results obtained within the quasiparticle phonon model allows an insight into the microscopic structure of the observed states.Conclusions: Below 10 MeV the directly observed E1 strength [∑B(E1)↑=(153.8±9.5) e2(fm)2] exhausts 0.5% of the Thomas-Reiche-Kuhn sum rule. This value increases to 0.8% of the sum rule [∑B(E1)↑=(250.9±31.1) e2(fm)2] when indirectly observed branches to lower-lying levels are considered. Two accumulations of M1 excited spin-1 states near 8 and 9 MeV excitation energy are identified as isoscalar and isovector M1 resonances dominated by proton and neutron f7/2→f5/2 spin-flip excitations. The B(M1)↑ strength of these structures accumulates to 3.94(27)μN2.

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

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  13. Giant dipole resonances built on excited states

    International Nuclear Information System (INIS)

    Snover, K.A.

    1983-01-01

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

  14. Excited state properties of aryl carotenoids

    Czech Academy of Sciences Publication Activity Database

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

    2010-01-01

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

  15. 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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  17. Systematics of the excitation of M1 resonances in medium heavy nuclei by 200 MeV proton inelastic scattering

    International Nuclear Information System (INIS)

    Djalali, C.; Marty, N.; Morlet, M.

    1982-01-01

    In a series of seventeen nuclei ranging from 51 V to 140 Ca, broad resonance structures are observed at energies between 8 and 10 MeV, nearly mass independent. These resonances have very forward peaked angular distributions which imply that they are populated by an angular momentum transfer of zero. This together with the observed excitation energies suggests an M1 character for these resonances. In 51 V, 58 Ni, 60 Ni, 62 Ni, a sharp peak located at an excitation energy above the threshold for neutron emission is interpreted as a part of the T 0+1 component of the M1 resonances. Cross-sections are given for all the M1 resonances. For 58 Ni, 90 Zr, 92 Mo, 120 Sn and 140 Ca, an ''attenuation'' factor for the cross-sections is extracted in a OWIA calculation assuming simple shell model structures for these resonances

  18. Extension of the excitation functions of deuteron induced reactions on {sup nat}Sn up to 50 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Hermanne, A., E-mail: aherman@vub.ac.be [Cyclotron Laboratory, Vrije Universiteit Brussel, B1050 Brussels (Belgium); Tárkányi, F.; Ditrói, F.; Takács, S. [Institute of Nuclear Research of the Hungarian Academy of Sciences, H4026 Debrecen (Hungary)

    2017-01-15

    Using the stacked-foil activation technique, cross-sections of deuteron induced reactions on natural Sn targets were determined up to 50 MeV. Excitation functions are reported for the product nuclides {sup 116m}Sb, {sup 117}Sb, {sup 118m}Sb, {sup 120m}Sb {sup 122m+g}Sb, {sup 124m+g}Sb, {sup 110}Sn(cum), {sup 113m+g}Sn(cum), {sup 117m}Sn, {sup 110m}In(cum), {sup 110g}In, {sup 111m+g}In(cum), {sup 113m}In, {sup 114m}In {sup 115m}In. Comparison with earlier published data at lower energy is discussed. For all excitation functions a theoretical calculation using the TALYS 1.6 (on-line TENDL-2015 library) code is shown.

  19. Excited states above the proton threshold in {sup 26}Si

    Energy Technology Data Exchange (ETDEWEB)

    Komatsubara, T. [Institute for Basic Science (IBS), Rare Isotope Science Project, Yuseong-gu Daejeon (Korea, Republic of); Kubono, S.; Ito, Y. [RIKEN, Saitama (Japan); Hayakawa, T.; Shizuma, T. [Japan Atomic Energy Agency, Tokai, Ibaraki (Japan); Ozawa, A.; Ishibashi, Y. [University of Tsukuba, Institute of Physics, Tsukuba, Ibaraki (Japan); Moriguchi, T. [National Cerebral and Cardiovascular Center Research Institute, Suita, Osaka (Japan); Yamaguchi, H.; Kahl, D. [University of Tokyo, Wako Branch, Center for Nuclear Study (CNS), Wako, Saitama (Japan); Hayakawa, S. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Nguyen Binh, Dam [Vietnamese Academy for Science and Technology, Institute of Physics, Hanoi (Viet Nam); Chen, A.A.; Chen, J. [McMaster University, Hamilton, Ontario (Canada); Setoodehnia, K. [University of Notre Dame, Department of Physics, Notre Dame, Indiana (United States); Kajino, T. [National Astronomical Observatory, Tokyo (Japan); University of Tokyo, Department of Astronomy, Graduate School of Science, Tokyo (Japan)

    2014-09-15

    The level scheme above the proton threshold in {sup 26}Si is crucial for evaluating the {sup 25}Al(p, γ){sup 26}Si stellar reaction, which is important for understanding the astrophysical origin of the long-lived cosmic radioactivity {sup 26}Al(T{sub 1/2} = 7.17 x 10{sup 5} y) in the Galaxy. The excited states in {sup 26}Si have been studied using an in-beam γ-ray spectroscopy technique with the {sup 24}Mg({sup 3}He, nγ){sup 26}Si reaction. γ-rays with energies up to 4.6 MeV emitted from excited states in {sup 26}Si have been measured using large volume HPGe detectors. The spin-parity of one of the most important states reported recently at 5890.0keV has been assigned as 0{sup +} by γ-γ angular correlation measurements in this work. (orig.)

  20. Gamma decays, lifetimes and spins of 47V excited states

    International Nuclear Information System (INIS)

    Thompson, J.V.; Bell, R.A.I.; Carlson, E.; Najam, M.R.

    1974-11-01

    The nucleus 47 V has been studied using the 47 Ti(p,nγ) 47 V reaction, with isotopically enriched 47 Ti targets, incident proton energies from 4.7 to 5.4 MeV, and Ge(Li) gamma-ray detectors. The previously unreported gamma decay of the second excited state was observed. Energies of the first seven excited states were deduced to be 87.5 +- 0.1, 145.7 +- 0.2, 259.6 +-0.4, 660.1 +- 0.3, 1138.3 +- 0.4, 1272.2 +- 0.4 and 1295.1 +- 0.4 keV. Their gamma-decay branching ratios were measured. The lifetimes of the last four mentioned states were deduced from attenuated Doppler shifts to be [680-340, 680+1400], [960-440, 960+1700], [390-150, 390+390], and > 750 fs respectively. Angular distribution measurements resulted in the assignment of Jsup(π) = 9/2 - to the 1272 keV level and J = 9/2 or 11/2 to the 1295 keV level. The results are discussed in the light of the Coriolis coupling model. (author)

  1. Analytical study of doubly excited ridge states

    International Nuclear Information System (INIS)

    Wong, H.Y.

    1988-01-01

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

  2. 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

  3. 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

  4. Excited-state relaxation of some aminoquinolines

    Directory of Open Access Journals (Sweden)

    2006-01-01

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

  5. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

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

  6. Double excitation of helium by ion impact. 2: Experiment and theory for 2-3 MeV proton impact

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Gleizes, A. [Toulouse-3 Univ., 31 (France); Andriamonje, S. [Bordeaux-1 Univ., 33 - Gradignan (France). Centre d`Etudes Nucleaires]|[Institut National de Physique Nucleaire et Physique des Particules, 33 - Gradignan (France); Martin, F. [Universidad Autonoma de Madrid (Spain). Dept. de Quimica; Salin, A. [Bordeaux-1 Univ., 33 -Talence (France). Lab. des Collisions Atomiques

    1995-02-28

    Experimental and theoretical studies of the double excitation of helium by 2-3 MeV proton impact are presented. A detailed angular dependence of the lineshapes and intensities of the first 2l2l` resonances is discussed. The resonances are characterized by the Shore parameters A and B and the Fano parameter Q. Calculations within Born-I approximation describe approximately the excitation of the 2s{sup 2} {sup 1}S and 2s2p {sup 1}P resonances whereas they fail to reproduce the experimental findings for the 2p{sup 2} {sup 1}D one. On the other hand, close-coupling calculations improve the description of the excitation of the 2s2p{sup 1}P and explains very nicely the 2p{sup 2} {sup 1}D one. Weak discrepancies in the description of the 2s{sup 2} {sup 1}S and 2s2p {sup 1}P excitation in the forward direction are thought to be the signature of a residual post-collisional effect. It is shown that it does not affect the observed lineshapes in our collision velocity range. The integration of the resonance parameters over the emission angle of the electron allows us to deduce total electron yields and to connect the resulting profile with photoionization data. (author).

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

    International Nuclear Information System (INIS)

    Kubono, S.

    1982-01-01

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

  8. Channel coupling and distortion effects in the excitation of the 02+ state in 12C by alpha scattering

    International Nuclear Information System (INIS)

    Bauhoff, W.

    1983-01-01

    The excitation of the 0 2 + (7.65 MeV) state in 12 C by inelastic alpha scattering is investigated using microscopic resonating-group wave-functions in a coupled channel folding model. The importance of coupling to other states and the influence of varying the optical potential in the excited states is studied. Both effects must be taken into account for a quantitative description

  9. SPIN DETERMINATION OF VALENCE AND INNER HOLE STATES VIA THE PB-208((D)OVER-RIGHT-ARROW,T)PB-207 REACTION AT ED=200 MEV

    NARCIS (Netherlands)

    LANGEVINJOLIOT, H; VANDEWIELE, J; GUILLOT, J; GERLIC, E; ROSIER, LH; WILLIS, A; MORLET, M; DUHAMELCHRETIEN, G; TOMASIGUSTAFSSON, E; BLASI, N; MICHELETTI, S; VANDERWERF, SY

    Highly excited neutron hole states in Pb-207 have been studied via the (d, over arrow pointing right, t) reaction at E(d) = 200 MeV using for the first time a polarized beam, with both vector and tensor components. The determination of overlapping neutron hole response functions takes advantage of

  10. A contribution to the study of excited states of Neon 22 and Sodium 22

    International Nuclear Information System (INIS)

    Chambon, Bernard.

    1976-01-01

    The experimental study of 22 Ne has been performed. A differentially pump gas target has been used, in conjunction with E+ΔE detectors. Angular distribution measurements have been performed on the 21 Ne(d,p) 22 Ne reaction in the Esub(d) energy range from 3 to 3.6MeV. Angular momentum has been identified and spectroscopic factors extracted for 18 levels by comparison with DWBA predictions. Spin and parities of some excited levels were deduced. The study of the 21 Ne(t,d) 22 Ne reaction corroborates the results concerning the first excited state (2 + ). Experimental results are compared with the predictions of the unified rotational model and of the shell-model. The 20 Ne(t,p) 22 Ne reaction was studied at 3MeV and 3.4MeV bombarding energies. The total cross-section of most groups was analyzed in terms of Hauser-Feshbach theory and several final-state spin predictions are made. The angular distribution of the 20 Ne(t,p) 22 Ne (Esub(x)=6.24MeV) reaction was analyzed by double stripping DWBA theory and indicates 0 + for this state, the isobaric analog of which has been identified at 6.83MeV in 22 Na. Furthermore, several new isobaric analog pairs in 22 Na and 22 Ne are identified via the study of excitation functions for the reactions 21 Ne(p,p) 21 Ne and 21 Ne(p,p') 21 Ne for Esub(p)=0.6-2MeV. Implications of the present results with regard to the identification of band structure in 22 Na are discussed [fr

  11. 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.

  12. 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.)

  13. 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...

  14. Constraining nuclear photon strength functions by the decay properties of photo-excited states

    Science.gov (United States)

    Isaak, J.; Savran, D.; Krtička, M.; Ahmed, M. W.; Beller, J.; Fiori, E.; Glorius, J.; Kelley, J. H.; Löher, B.; Pietralla, N.; Romig, C.; Rusev, G.; Scheck, M.; Schnorrenberger, L.; Silva, J.; Sonnabend, K.; Tonchev, A. P.; Tornow, W.; Weller, H. R.; Zweidinger, M.

    2013-12-01

    A new approach for constraining the low-energy part of the electric dipole Photon Strength Function (E1-PSF) is presented. Experiments at the Darmstadt High-Intensity Photon Setup and the High Intensity γ→-Ray Source have been performed to investigate the decay properties of 130Te between 5.50 and 8.15 MeV excitation energy. In particular, the average γ-ray branching ratio to the ground state and the population intensity of low-lying excited states have been studied. A comparison to the statistical model shows that the latter is sensitive to the low-energy behavior of the E1-PSF, while the average ground state branching ratio cannot be described by the statistical model in the energy range between 5.5 and 6.5 MeV.

  15. Study of neutron hole states in 207206205Pb with the (3He,α) reaction at 110MeV. First tests in (d,t) reaction of the Orsay synchrocyclotron spectrometric line

    International Nuclear Information System (INIS)

    Guillot, J.

    1979-01-01

    Neutron hole states in the 207 Pb, 206 Pb, 205 Pb isotopes were studied up to 25 MeV excitation energy using the ( 3 He,α) reaction at 100MeV incident energy, with 100 keV energy resolution. Angular distributions for the low-lying levels and inner hole states have been analyzed with DWBA and spectroscopic factors extracted for 1 > 3 levels. Missing strengths for the first levels from 1i13/2 and 1h9/2 orbits are found in the bump located around 5MeV excitation energy. The fragmented bump observed around 8MeV excitation energy is attributed to 1h11/2 pick-up with 45% of the sum-rule limit. Finally, the structure extending up to 21 MeV excitation energy is attributed to 1g7/2+1g9/2 pick-up with 80% of the total strength. In 207 Pb, the four first isobaric analog states Tsub(>) = 45/2 are identifierd around 20MeV excitation energy. The second part of this work presents the first tests in (d,t) reaction at 108 MeV on 90 Zr and 208 Pb using the achromatic line of the Orsay synchrocyclotron [fr

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

    International Nuclear Information System (INIS)

    Jolos, R.V.; Schmidt, R.

    1982-01-01

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

  17. 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.

  18. Measurement of 197Au(tau,xnyp) excitation functions for 15 MeV <= Esub(tau) <= 135 MeV and analysis in the framework of the hybrid model

    International Nuclear Information System (INIS)

    Bousshid, O.

    1981-01-01

    The (tau,xnyp)-reactions on 197 Au were measured. The 3 He incident energy was between 15 MeV and 135 MeV. The experiments were carried out using the stacked-foils technique. Cross sections were determind from the activity of the residual nuclei. The (tau,xn)-excitation functions were measured for 2 = 70 MeV as well as x >= 7 were measured for the first time. Further the (tau,pxn)- and (tau,2pxn)-excitation functions, which were not known so far, have now been measured. The analysis within the framework of the hybrid model for precompound-nuclear-reactions followed by an evaporation cascade, resulted in the best agreement between experimental data and theoretical model calculation using an initial exciton number nsub(o) = 5 (1n+3p+1h). The region of validity of the hybrid model for complex projectiles is discussed. (orig.) [de

  19. 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

  20. Excited state dynamics of DNA bases

    Czech Academy of Sciences Publication Activity Database

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

    2013-01-01

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

  1. Excitation function of alpha-particle-induced reactions on {sup nat}Ni from threshold to 44 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, M.S. [Atomic Energy Research Establishment, Tandem Accelerator Facilities, Institute of Nuclear Science and Technology, Savar, Dhaka (Bangladesh); Kim, K.S.; Nadeem, M.; Kim, G.N. [Kyungpook National University, Department of Physics, Buk-gu, Daegu (Korea, Republic of); Sudar, S. [Debrecen University, Institute of Experimental Physics, Debrecen (Hungary)

    2017-05-15

    Excitation functions of the {sup nat}Ni(α,x){sup 62,63,65}Zn, {sup nat}Ni(α,x){sup 56,57}Ni and {sup nat}Ni(α,x){sup 56,57,58m+g}Co reactions were measured from the respective thresholds to 44MeV using the stacked-foil activation technique. The tests for the beam characterization are described. The radioactivity was measured using HPGe γ-ray detectors. Theoretical calculations on α-particles-induced reactions on {sup nat}Ni were performed using the nuclear model code TALYS-1.8. A few results are new, the others strengthen the database. Our experimental data were compared with results of nuclear model calculations and described the reaction mechanism. (orig.)

  2. Excitation functions of alpha particle induced reactions on {sup nat}Ti up to 40 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, M.S., E-mail: md.shuzauddin@yahoo.com [Tandem Accelerator Facilities, Institute of Nuclear Science and Technology, Atomic Energy Research Establishment, Savar, Dhaka (Bangladesh); Scholten, B. [Institut für Neurowissenschaften und Medizin, INM-5:Nuklearchemie, Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2016-08-01

    Excitation functions of the reactions {sup nat}Ti(α,x){sup 48}Cr, {sup nat}Ti(α,x){sup 48}V and {sup nat}Ti(α,x){sup 46,48}Sc were determined by the stacked-foil activation technique up to 40 MeV. The radioactivities produced in the {sup nat}Ti target were measured by γ-ray spectrometry using HPGe detector. The reaction {sup nat}Ti(α,x){sup 51}Cr was used to determine the beam parameters. New experimental values for the above reactions have been obtained. An intercomparison of our data with the available literature values has been done. The cross section results obtained in this work could be useful in defining new monitor reactions, radiation safety and isotope production.

  3. 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....

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

    Science.gov (United States)

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

    2015-10-01

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

  5. New excitation functions for proton induced reactions on natural titanium, nickel and copper up to 70 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, E. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); Duchemin, C., E-mail: Charlotte.Duchemin@subatech.in2p3.fr [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); Guertin, A. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); Haddad, F.; Michel, N. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France); GIP Arronax, 1 rue Aronnax, 44817 Saint-Herblain (France); Métivier, V. [SUBATECH, Ecole des Mines de Nantes, Université de Nantes, CNRS/IN2P3, Nantes (France)

    2016-09-15

    Highlights: • Natural titanium, nickel and copper targets. • 70 MeV ARRONAX cyclotron proton beam. • Stacked-foil technique and monitor reactions. • Experimental cross section values. • TALYS code version 1.6. - Abstract: New excitation functions for proton induced nuclear reactions on natural titanium, nickel and copper were measured, using the stacked-foil technique and gamma spectrometry, up to 70 MeV. The experimental cross sections were measured using the Ti-nat(p,x) V-48, Ni-nat(p,x) Ni-57 and Cu-nat(p,x) Zn-62,Co-56 monitor reactions recommended by the International Atomic Energy Agency (IAEA), depending on the investigated energy range. Data have been extracted for the Ti-nat(p,x) Sc-43,44m,46,47,48, V-48, K-42,43, Ni-nat(p,x) Ni-56,57, Co-55,56,57,58, Mn-52,54, Cu-nat(p,x) Cu-61,64, Ni-57, Co-56,57,58,60, Zn-62,65, Mn-54 reactions. Our results are discussed and compared to the existing ones as well as with the TALYS code version 1.6 calculations using default models. Our experimental data are in overall good agreement with the literature. TALYS is able to reproduce, in most cases, the experimental trend. Our new experimental results allow to expand our knowledge on these excitation functions, to confirm the existing trends and to give additional values on a large energy range. This work is in line with the new Coordinated Research Project (CRP) launched by the IAEA to expand the database of monitor reactions.

  6. Calculations of Excitation Functions of Some Structural Fusion Materials for ( n, t) Reactions up to 50 MeV Energy

    Science.gov (United States)

    Tel, E.; Durgu, C.; Aktı, N. N.; Okuducu, Ş.

    2010-06-01

    Fusion serves an inexhaustible energy for humankind. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, there is still a long way to go to penetrate commercial fusion reactors to the energy market. Tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. So, the working out the systematics of ( n, t) reaction cross sections is of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at different energies. In this study, ( n, t) reactions for some structural fusion materials such as 27Al, 51V, 52Cr, 55Mn, and 56Fe have been investigated. The new calculations on the excitation functions of 27Al( n, t)25Mg, 51V( n, t)49Ti, 52Cr( n, t)50V, 55Mn( n, t)53Cr and 56Fe( n, t)54Mn reactions have been carried out up to 50 MeV incident neutron energy. In these calculations, the pre-equilibrium and equilibrium effects have been investigated. The pre-equilibrium calculations involve the new evaluated the geometry dependent hybrid model, hybrid model and the cascade exciton model. Equilibrium effects are calculated according to the Weisskopf-Ewing model. Also in the present work, we have calculated ( n, t) reaction cross-sections by using new evaluated semi-empirical formulas developed by Tel et al. at 14-15 MeV energy. The calculated results are discussed and compared with the experimental data taken from the literature.

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

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  8. Neutral excitations in the Gaffnian state

    Science.gov (United States)

    Kang, Byungmin; Moore, Joel E.

    2017-06-01

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

  9. 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.

  10. Radiative proton capture to the first excited state of sup 29 P nucleus at subbarrier energies

    Energy Technology Data Exchange (ETDEWEB)

    Matulewicz, T; Dabrowska, M; Decowski, P; Kicinska-Habior, M; Sikora, B [Warsaw Univ. (Poland). Inst. Fizyki Doswiadczalnej; Toke, J [Rochester Univ., NY (USA). Nuclear Structure Research Lab.; Somorjai, E [Magyar Tudomanyos Akademia, Debrecen (Hungary). Atommag Kutato Intezete

    1985-08-01

    Differential cross sections at 0 deg and 90 deg measured for {sup 28}Si(p,{gamma}{sub 1}){sup 29}P reaction at proton energy range 2.3-2.9 MeV have been analyzed in terms of the direct-semidirect capture model extended by the effective potential approach. Spectroscopic factor of the first excited states of {sup 29}P nucleus was found to be 0.10+-0.05. 9 refs., 1 fig. (author).

  11. Cluster model study of the excited states of /sup 4/He

    Energy Technology Data Exchange (ETDEWEB)

    Furutani, H. [Osaka Univ., Suita (Japan). Research Center for Nuclear Physics; Ikegami, H.; Muraoka, M. [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

    1980-01-01

    Excited states of /sup 4/He are studied in the energy region E sub(x) = 20 -- 35 MeV within the framework of a (3N + N)-cluster model. (/sup 3/H + p) - (/sup 3/He + n) coupled channel calculation is carried out and results are compared with /sup 3/H(p, p)/sup 3/H, /sup 3/He(n, n)/sup 3/He and /sup 3/H(p, n)/sup 3/He reactions.

  12. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-15

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

  14. Neutron correlations in the decay of the first excited state of "1"1Li

    International Nuclear Information System (INIS)

    Smith, J.K.; Baumann, T.; Bazin, D.; Brown, J.; DeYoung, P.A.; Frank, N.; Jones, M.D.; Kohley, Z.; Luther, B.; Marks, B.; Spyrou, A.; Stephenson, S.L.; Thoennessen, M.; Volya, A.

    2016-01-01

    The decay of unbound excited "1"1Li was measured after being populated by a two-proton removal from a "1"3B beam at 71 MeV/nucleon. Decay energy spectra and Jacobi plots were obtained from measurements of the momentum vectors of the "9Li fragment and neutrons. A resonance at an excitation energy of ∼1.2 MeV was observed. The kinematics of the decay are equally well fit by a simple dineutron-like model or a phase-space model that includes final state interactions. A sequential decay model can be excluded.

  15. Excitation functions for 121,123Sb(α,xn), (x=1-4) reactions in approx. 10-40 MeV range

    International Nuclear Information System (INIS)

    Prasad, R.; Bhardwaj, H.D.

    1986-04-01

    Excitation functions for 121 Sb(α,n), 121 Sb(α,2n), 123 Sb(α,n) and 123 Sb(α,3n) reactions in the energy range approx. 10 to 40 MeV have been measured using stacked-foil technique and are calculated theoretically using statistical model with and without the inclusion of pre-equilibrium emission. Inclusion of pre-equilibrium emission is found to give good agreement between the experimental and measured excitation functions. (author)

  16. Stopping powers of Zr, Pd, Cd, In and Pb for 6.5 MeV protons and mean excitation energies

    International Nuclear Information System (INIS)

    Ishiwari, R.; Shiomi, N.; Sakamoto, N.

    1983-01-01

    Stopping powers of Zr, Pd, Cd, In and Pb have been measured for 6.5 MeV protons. Mean excitation energies have been extracted from the stopping power data by taking into account Bloch correction and Z 1 3 correction. For the shell correction the Bonderup shell correction has been used. The results agree fairly well with those of other authors

  17. 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)

  18. Process to produce excited states of atomic nuclei

    International Nuclear Information System (INIS)

    Morita, M.; Morita, R.

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

  19. 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. Measurement of Ay(θ) for n+208Pb from 6 to 10 MeV and the neutron-nucleus interaction over the energy range from bound states at -17 MeV up to scattering at 40 MeV

    International Nuclear Information System (INIS)

    Roberts, M.L.; Felsher, P.D.; Weisel, G.J.; Chen, Z.; Howell, C.R.; Tornow, W.; Walter, R.L.; Horen, D.J.

    1991-01-01

    High-accuracy measurements of A y (θ) data for elastic scattering and inelastic scattering to the first excited state for n+ 208 Pb have been performed at 6, 7, 8, 9, and 10 MeV. In addition, σ(θ) was measured at 8 MeV. These data provide an important subset for the growing database for the n+ 208 Pb system from bound-state energies to energies above 40 MeV, the limit of the range of interest here. This database has been interpreted via several approaches. First, a conventional Woods-Saxon spherical optical was used to obtain three potential representations for the energy range from 4 to 40 MeV: ''best fits'' at each energy, constant-geometry global fit with linear energy dependences for the potential strengths for the range 4.0--40 MeV, and an extension of the latter model to allow a linear energy dependence on the radii and diffuseness. A preference for a complex spin-orbit interaction was observed in all cases. Second, the dispersion relation was introduced into the spherical optical model to obtain a more ''realistic'' representation. In our approach, the strength and shape of the real potential was modified by calculating the dispersion-relation contributions that originate from the presence of the surface and volume imaginary terms. Two potentials were developed, one based only on the scattering data (from 4.0 to 40 MeV) and another based additionally on single-particle and single-hole information down to a binding energy of 17 MeV. In addition, the σ(θ) and A y (θ) measurements were compared to earlier conventional and dispersion-relation models. One of the latter of these included an l dependence in the absorptive surface term, and we applied this model in the 6- to 10-MeV region to describe all the σ(θ) and the new A y (θ)

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

    International Nuclear Information System (INIS)

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

    1995-11-01

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

  2. 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

  3. Molecular excited states from the SCAN functional

    Science.gov (United States)

    Tozer, David J.; Peach, Michael J. G.

    2018-06-01

    The performance of the strongly constrained and appropriately normed (SCAN) meta-generalised gradient approximation exchange-correlation functional is investigated for the calculation of time-dependent density-functional theory molecular excitation energies of local, charge-transfer and Rydberg character, together with the excited ? potential energy curve in H2. The SCAN results frequently resemble those obtained using a global hybrid functional, with either a standard or increased fraction of exact orbital exchange. For local excitations, SCAN can exhibit significant triplet instability problems, resulting in imaginary triplet excitation energies for a number of cases. The Tamm-Dancoff approximation offers a simple approach to improve the situation, but the excitation energies are still significantly underestimated. Understanding the origin of these (near)-triplet instabilities may provide useful insight into future functional development.

  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. 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

  6. Observation of an eta'/sub c/ candidate state with mass 3592 +- 5 MeV

    International Nuclear Information System (INIS)

    Edwards, C.; Partridge, R.; Peck, C.; Porter, F.C.; Antreasyan, D.; Gu, Y.F.; Kollmann, W.; Richardson, M.; Strauch, K.; Wacker, K.; Weinstein, A.; Aschman, D.; Burnett, T.; Cavalli-Sforza, M.; Coyne, D.; Newman, C.; Sadrozinski, H.F.W.; Gelphman, D.; Hofstadter, R.; Horisberger, R.; Kirkbride, I.; Kolanoski, H.; Koenigsmann, K.; Lee, R.; Liberman, A.; O'Reilly, J.; Osterheld, A.; Pollock, B.; Tompkins, J.; Bloom, E.; Bulos, F.; Chestnut, R.; Gaiser, J.; Godfrey, G.; Kiesling, C.; Lockman, W.; Oreglia, M.; Scharre, D.L.

    1982-01-01

    An eta'/sub c/ candidate state is observed at a mass M = 3592 +- 5 MeV and with a natural linewidth GAMMA<8 MeV (95% confidence level), by using the ''crystal ball'' NaI(Tl) detector at the Stanford Linear Accelerator Center (SPEAR). The evidence is found in the inclusive photon spectrum in decays of the psi'(3684), where a signal is observed corresponding to a radiative transition to this state with branching ratio between 0.2% and 1.3%

  7. 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.

  8. 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

  9. Coulomb excitation of rotational states in the 162Dy nucleus in the framework of the generalized semiclassical approximation

    International Nuclear Information System (INIS)

    Bolotin, Yu.L.; Gonchar, V.Yu.; Chekanov, N.A.

    1985-01-01

    Coulomb excitation of rotational states induced in heavyion collisions is treated in the framework of the generalized semiclassical approximation. The Hamiltonian of the system under consideration involves not only Coulomb forces (monopole, quadrupole, and hexadecapole) but as well a real nuclear potential in the form of the deformed Woods-Saxon potential. Strong dependence of the excitation probability on the interference between the Coulomb and nuclear interactions is shown. Calculations are carried out for the reaction 40 Ar+ 162 Dy at E=148.6 MeV. The calculated Coulomb excitation probabilities agree satisfactory with the corresponding experimental values

  10. 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.

  11. 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.

  12. 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.

  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. 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.)

  15. 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

  16. 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

  17. Inelastic neutron excitation of the ground state rotational band of 238U

    International Nuclear Information System (INIS)

    Guenther, P.; Smith, A.

    1975-01-01

    Cross sections for the neutron excitation of the 2+(45 keV), 4+(148 keV) and 6+(308 keV) states in 238 U were measured to incident energies of approximately 3.0 MeV. The experimental resolution was sufficient to resolve these components throughout the measured energy range. Particular attention was given to energies near threshold and in the few MeV range where direct reaction contributions were appreciable. The experimental results were compared with theoretical estimates based upon statistical and coupled-channel models deduced from comprehensive studies of neutron scattering from heavy-rotational-deformed nuclei. An evaluated inelastic scattering data set was derived from the present experimental and calculational results and previously reported experimental values and compared with respective values from the ENDF-IV file. 4 figures

  18. 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

  19. The Electro-Excitation Form Factors for Low-Lying States of 7Li Nucleus

    International Nuclear Information System (INIS)

    Dakhl, Z.A.; Salih, L.; Al-Qazaz, B.S.

    2010-01-01

    The transverse electron scattering form factors have been studied for low -lying excited states of 7 L i nucleus. These states are specified by JπT= (0.478MeV),(4.63MeV) and(6.68MeV). The transitions to these states are taking place by both isoscalar and isovector components. These form factors have been analyzed in the framework of the multi-nucleon configuration mixing of harmonic oscillator shell model with size parameter b r ms=1.74fm. The universal two-body of Cohen-Kurath is used to generate the 1p-shell wave functions. The core polarization effects are included in the calculations through effective g-factors and resolved many discrepancies with experiments. A higher configuration effect outside the 1p-shell model space, such as the 2p-shell, enhances the form factors for q-values and reproduces the data. The present results are compared with other theoretical models. PACS: 25.30.Bf Elastic electron scattering - 25.30.Dh Inelastic electron scattering to specific states - 21.60.Cs Shell model - 27.20. +n 5≤ A ≥19

  20. Valence and inner proton hole states in 207Tl via the (d,3He) reaction at 108 MeV

    International Nuclear Information System (INIS)

    Langevin-Joliot, H.; Gerlic, E.; Guillot, J.; Van de Wiele, J.

    1983-01-01

    The excitation energy spectra of the residual nucleus 207 Tl have been investigated up to 14 MeV using the (d, 3 He) reaction at 108 MeV. New groups and high lying structures are first observed up to 8.3 MeV, in addition to the five known low lying levels. Beyond a minimum at 7.13 MeV, weaker structures are observed riding over an asymetric bump located around 9 MeV. DWBA analysis of angular distributions have allowed l attributions and the determination of valence and inner hole spectroscopic factors. It is found that the valence levels at 1.33 MeV, 1.67 MeV and 3.47 MeV exhaust respectively about 65%, 60% and 45% of the 1hsub(11/2), 2dsub(5/2) and 1gsub(7/2) sum rules. The missing strengths are found below 8.3 MeV. The 2dsub(5/2) and 1gsub(7/2) holes contribute mainly to some well concentrated groups, whereas the 1hsub(11/2) strength is distributed more smoothly. Small contributions of 1gsub(9/2) and 2p strengths are tentatively identified below 7.13 MeV. The highest lying energy region up to 14 MeV may approximately account for the 1gsub(9/2) and (1fsub(5/2)) total sum-rule and about 70% of the 2p strength. The 1gsub(9/2) strength gives the largest contribution to the asymetric bump around 9 MeV. The deduced experimental strength functions are compared with theoretical calculations

  1. 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...

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

    International Nuclear Information System (INIS)

    Boskamp, E.B.

    1983-01-01

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

  3. 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.

  4. 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

  5. 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

  6. Doubly and triply excited states for different plasma sources

    International Nuclear Information System (INIS)

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

    2000-01-01

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

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

    International Nuclear Information System (INIS)

    Barabanov, A.L.

    1994-01-01

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

  8. 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

  9. 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.)

  10. Excitations of Neodymium Ions in Praseodymium

    DEFF Research Database (Denmark)

    Wulff, M.; Jensen, J.; Mackintosh, A.R.

    1983-01-01

    The excitations of Nd ions dissolved in Pr have been studied by inelastic neutron scattering. A crystal-field level at about 1.2 meV interferes strongly with the host excitations. In the antiferromagnetic phase, another level is observed about 0.5 meV above the ground-state, which is split...

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. Signatures of fission dynamics in highly excited nuclei produced in 197AU(800 A MeV) on proton collisions

    International Nuclear Information System (INIS)

    Benlliure, J.; Armbruster, P.; Bernas, M.

    2001-09-01

    197 Au(800 A MeV)-on-proton collisions are used to investigate the fission dynamics at high excitation energy. The kinematic properties together with the isotopic identification of the fission fragments allow to determine the mass, charge and excitation energy of the fissioning nucleus at saddle. The comparison of these observables and the measured total fission cross section with model calculations evidences a clear hindrance of fission at high excitation energy that can be explained in terms of nuclear dissipation. Assuming a statistical evaporation for other de-excitation channels than fission, an estimated value of the transient time of fission of (3 ± 1) . 10 -21 s is obtained. (orig.)

  16. 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.

  17. Structure of the excited states of 11Be reached through the reaction d(10Be,p)11Be

    International Nuclear Information System (INIS)

    Delaunay, F.

    2003-10-01

    The one-neutron transfer reaction d( 10 Be,p) 11 Be has been studied at 32 A.MeV at GANIL with a 10 Be secondary beam. Protons were detected by the silicon strip array MUST. The ground state and excited states of 11 Be at 0.32, 1.78 and 3.41 MeV were populated, demonstrating the feasibility of transfer reactions induced by radioactive beams leading to bound and unbound states. A DWBA (distorted wave born approximation) analysis indicates for the 3.41 MeV state spin and parity 3/2 + or 5/2 + and a spectroscopic factor of 0.18 or 0.11, respectively. A broad structure centered at 10 MeV is also observed and corresponds to transfer to the 1d sub-shells. If one assumes that only the 1d3/2 orbital contributes to this structure, the splitting of the 1d neutron states in 11 Be is estimated to be 6.3 MeV. Using a 2-particle-RPA (random phase approximation) model, we have shown that neutron-neutron correlations play an important role in the inversion between the 2s1/2 and 1p1/2 neutron states in 11 Be. (author)

  18. Search of the first excited states 0+ of 108Cd and106Cd

    International Nuclear Information System (INIS)

    Roussiere, B.

    1981-01-01

    108 Cd and 106 Cd nuclei have been studied from the β + /EC decay of 108 In and 106 In using the isocele II isotope separator working on-line with the Orsay synchrocyclotron. In order to produce indium nuclei, a molten tin target is irradiated by protons (E = 200 MeV) or 3 He (E = 270 MeV). The comparison of saturation activity measured after mass separation with the one measured before mass-separation has allowed us to determine the average delay-time of indium isotopes and the overall efficiency of the separator. Single γ rays, conversion electrons rays, γ-γ-t and γ-e - -t coincidence measurements have been performed to build level schemes of 108 Cd and 106 Cd. In 108 Cd, the first excited 0 + state has been established unambiguously. This state preferably decays to the 2 2 + and not to the 2 1 + as it does in the even-even neighbouring Cd nuclei. An excited 0 + state is proposed in 106 Cd. These states could not be interpreted as headstate of collective band corresponding to a shape different from the ground state one. On the other hand, the model of G. Alaga (vibrator + two proton holes), as well as the IBA2 F. Iachello one seem to be able to describe the low-lying states properties. Finally, the feeding balance and the deduced log ft values have led us to discuss the possible values of the 108 In and 106 In isomeric state spins [fr

  19. 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.

  20. Dinamical polarizability of highly excited hydrogen-like states

    International Nuclear Information System (INIS)

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

    1982-01-01

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

  1. 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.)

  2. Electron-lattice energy relaxation in laser-excited thin-film Au-insulator heterostructures studied by ultrafast MeV electron diffraction.

    Science.gov (United States)

    Sokolowski-Tinten, K; Shen, X; Zheng, Q; Chase, T; Coffee, R; Jerman, M; Li, R K; Ligges, M; Makasyuk, I; Mo, M; Reid, A H; Rethfeld, B; Vecchione, T; Weathersby, S P; Dürr, H A; Wang, X J

    2017-09-01

    We apply time-resolved MeV electron diffraction to study the electron-lattice energy relaxation in thin film Au-insulator heterostructures. Through precise measurements of the transient Debye-Waller-factor, the mean-square atomic displacement is directly determined, which allows to quantitatively follow the temporal evolution of the lattice temperature after short pulse laser excitation. Data obtained over an extended range of laser fluences reveal an increased relaxation rate when the film thickness is reduced or the Au-film is capped with an additional insulator top-layer. This behavior is attributed to a cross-interfacial coupling of excited electrons in the Au film to phonons in the adjacent insulator layer(s). Analysis of the data using the two-temperature-model taking explicitly into account the additional energy loss at the interface(s) allows to deduce the relative strength of the two relaxation channels.

  3. Nucleon, Δ and Ω excited state spectra in Nf=2+1 lattice QCD

    International Nuclear Information System (INIS)

    Bulava, J.; Edwards, R.G.; Joo, B.; Richards, D.G.; Engelson, E.; Wallace, S.J.; Lin, H.W.; Morningstar, C.

    2010-04-01

    The energies of the excited states of the Nucleon, Δ and Ω and are computed in lattice QCD, using two light quarks and one strange quark on anisotropic lattices. The calculation is performed at three values of the light quark mass, corresponding to pion masses m π =392(4), 438(3) and 521(3) MeV. We employ the variational method with a large basis of interpolating operators enabling six energies in each irreducible representation of the lattice to be distinguished clearly. We compare our calculation with the low-lying experimental spectrum, with which we nd reasonable agreement in the pattern of states. The need to include operators that couple to the expected multi-hadron states in the spectrum is clearly identified. (orig.)

  4. Microscopic description and excitation of unitary analog states

    Energy Technology Data Exchange (ETDEWEB)

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

    1977-12-05

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

  5. 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.

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

    Science.gov (United States)

    Ramon, John Glenn Santos

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

  7. 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

  8. Analysis of 165Er excited state properties

    International Nuclear Information System (INIS)

    Morozov, V.A.; Budzynski, M.

    1982-01-01

    It is shown by the analysis of 165 Tm decay that the precision measurements of γ-ray and internal conversion electron intensities together with the measurements o.f angular correlation coefficients provide more data for the determination of γ-ray multipole composition and intensities of γ-transitions with small enerqy difference. The spin of the 589.868 ke tate is found to be I=1/2 - . Doublet transitions of different parity from the states 1103.495, 920.645 and 745.968 keV to the levels of the 590 keV region with energy difference ΔE=(108+-22) eV are identified

  9. 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

  10. Quantum entanglement of localized excited states at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-20

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

  11. 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

  12. On some aspects of Coulomb excitation of nuclear rotational states

    International Nuclear Information System (INIS)

    Massmann, H.; Robotham, H.

    1979-01-01

    The Coulomb excitation of nuclear rotational states is studied with a semiclassical method using classical trajectories and the classical action in order to construct the excitation probabilities. This method allows one to consider the effect on the excitation probabilities of a weak nuclear potential. An explicit expression for the 'safe bombarding energy' that is the largest bombarding energy for which the nuclear force can be neglected, is found. Also the transfer of angular momentum to the projectile's orbit is considered. One finds that the dynamical distortion of the orbit has a measurable effect on the excitation probabilities for the case of very heavy ions. Furthermore, new dimensionless parameters measuring the dynamical distortion and the effect of the adiabaticity of the collision are introduced and discussed. (author)

  13. Excitation functions of proton induced reactions on {sup nat}Fe in the energy region up to 45 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kwangsoo [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Khandaker, Mayeen Uddin [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Naik, Haladhara [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Radiochemistry Division, Bhabha Atomic Research Center, Trombay, Mumbai 400085 (India); Kim, Guinyun, E-mail: gnkim@knu.ac.kr [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of)

    2014-03-01

    The excitation functions of various reaction products such as {sup 55,56,57}Co, {sup 52}Fe, {sup 52,54}Mn, and {sup 51}Cr in the {sup nat}Fe(p, x) reactions were measured by the stacked-foil activation technique in the energy range between their respective reaction threshold and 45 MeV at the MC-50 cyclotron of the Korean Institute of Radiological and Medical Sciences, Korea. The present experimental data were compared with the existing literature data. It was found that excitation function of {sup 56,57}Co and {sup 51}Cr from the {sup nat}Fe(p, x) reaction are in agreement with the literature data. However, the cross-sections for {sup nat}Fe(p, x){sup 52}Fe reactions are lower and those for {sup nat}Fe(p, x){sup 52}Mn and {sup nat}Fe(p, x){sup 54}Mn reactions are higher than the literature data. The reaction cross-sections of the above mentioned reaction products were also compared with those from the TENDL-2012 library based on the TALYS-1.4 program as a function of proton energy, which was reproduced the trend of the excitation functions of the experimental {sup nat}Fe(p, x) reaction cross-section. The integral yields for thick target of the investigated radionuclides were calculated from the excitation function.

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

    Science.gov (United States)

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

    2016-02-28

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1980-02-26

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

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

    CERN Multimedia

    2002-01-01

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

  17. 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.

  18. 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)

  19. 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.

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

    International Nuclear Information System (INIS)

    Van Tassle, Aaron Justin

    2006-01-01

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

  1. Proton capture to the ground and excited states in light nuclei

    International Nuclear Information System (INIS)

    Anghinolfi, M.; Corvisiero, P.; Guarnone, M.; Ricco, G.; Sanzone, M.; Taiuti, M.; Zucchiatti, A.

    1984-01-01

    Proton capture experiments, when performed with good resolution, generally provide two different kinds of physical information; the ground-state pγ/sub o/ cross section, which is related, through the detailed balance, to the inverse photonuclear γp/sub o/ reaction; the advantage of capture experiments is the definite kinematics, corresponding to monochromatic photons in γp reactions, and a more precise beam monitoring. The pγ/sub x/ cross section to the various excited states of the final nucleus; this information is typical of capture experiments, since excited nuclear targets are not available. Many laboratories performed extensive capture experiments at excitation energies up to the GDR region, but only recently few groups (Ohio, Triangle and Genova Universities) extended the investigation to energies above the GDR. In fact more severe experimental problems arise at higher energies: since the pγ differential cross sections range in this energy region between 0.1 and 1Γb/sr, while competitive reactions have two or three order of magnitude higher cross sections, the signal-to-background ratio is very low. The data analysis strongly depends on the detector line shape, scarsely known at photon energies above 20 MeV; a very accurate knowledge of the detector response function is therefore necessary

  2. 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)

  3. Core excitations to the low lying states of thallium isotopes

    International Nuclear Information System (INIS)

    Gruenbaum, L.; Tomaselli, M.; Herold, D.

    1977-08-01

    The admixture of core excitations to the low lying states of A = 203 and A = 205 thallium isotopes has been calculated. The wave functions obtained reproduce the electromagnetic properties as well as the hyperfine splittings and the isomershifts of both thallium isotopes. (orig.) [de

  4. Excited state intramolecular charge transfer reaction in non-aqueous ...

    Indian Academy of Sciences (India)

    polar phase and thus leading to less swelling of reverse .... ues were restricted up to the limit at which no phase separation was ..... The lower panel of figure 1 also indicates that the slopes of ... probe in its ground and excited states.55.

  5. Size dependent deactivation of the excited state of DHICA

    DEFF Research Database (Denmark)

    Gauden, Magdalena; Pezzella, Alessandro; Panzella, Lucia

    2008-01-01

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

  6. Optimal control of peridinin excited-state dynamics

    Czech Academy of Sciences Publication Activity Database

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

    2010-01-01

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

  7. Dark excited states of carotenoids: Consensus and controversy

    Czech Academy of Sciences Publication Activity Database

    Polívka, Tomáš; Sundström, V.

    2009-01-01

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

  8. Dibaryon resonances as rotational excitations of six-quark states

    International Nuclear Information System (INIS)

    Kondratyuk, L.A.; Martem'yanov, B.V.; Shchepkin, M.G.

    1986-01-01

    Using the model of streched rotating (stringlike) bags with spin-orbit interaction of quarks the properties of nonstrange dibaryon spectrum are considered. The resonance d'(T=0, J P =2 - ) near the πNN threshold with the mass 1.95+2.05 GeV is predicted. Two other members of this family in spin-orbit are also predicted: d''(1 - ) and d'''(0 - ) (δE ls =30-40 MeV). Possible exostence of narrow dibaryon states with isospin T=1 and 2 is doscussed

  9. Photoluminescence and photoluminescence excitation studies in 80 MeV Ni ion irradiated MOCVD grown GaN

    Energy Technology Data Exchange (ETDEWEB)

    Devaraju, G. [School of Physics, University of Hyderabad, Central University P.O., Hyderabad 500 046 (India); Pathak, A.P., E-mail: appsp@uohyd.ernet.in [School of Physics, University of Hyderabad, Central University P.O., Hyderabad 500 046 (India); Srinivasa Rao, N.; Saikiran, V. [School of Physics, University of Hyderabad, Central University P.O., Hyderabad 500 046 (India); Enrichi, Francesco [Coordinamento Interuniversitario Veneto per le Nanotecnologie (CIVEN), via delle Industrie 5, Marghera, I-30175Venice (Italy); Trave, Enrico [Dipartimento di Chimica Fisica, Universita Ca' Foscari Venezia, Dorsoduro 2137, I-30123 Venice (Italy)

    2011-09-01

    Highlights: {yields} MOCVD grown GaN samples are irradiated with 80 MeV Ni ions at room temperature. {yields} PL and PLE studies have been carried out for band to band, BL and YL emissions. {yields} Ni ions irradiated GaN shows BL band at 450 nm besides YL band. {yields} Radiation annealed Ga vacancies have quenching effect on YL intensity. {yields} We speculated that BL and YL are associated with N and Ga vacancies, respectively. - Abstract: We report damage creation and annihilation under energetic ion bombardment at a fixed fluence. MOCVD grown GaN thin films were irradiated with 80 MeV Ni ions at a fluence of 1 x 10{sup 13} ions/cm{sup 2}. Irradiated GaN thin films were subjected to rapid thermal annealing for 60 s in nitrogen atmosphere to anneal out the defects. The effects of defects on luminescence were explored with photoluminescence measurements. Room temperature photoluminescence spectra from pristine sample revealed presence of band to band transition besides unwanted yellow luminescence. Irradiated GaN does not show any band to band transition but there is a strong peak at 450 nm which is attributed to ion induced defect blue luminescence. However, irradiated and subsequently annealed samples show improved band to band transitions and a significant decrease in yellow luminescence intensity due to annihilation of defects which were created during irradiation. Irradiation induced effects on yellow and blue emissions are discussed.

  10. Three-body treatment of the Z-dependence for excitation cross sections in Aq+ + H(1s) collisions - Excitation from the ground to the 2s and 3s states

    International Nuclear Information System (INIS)

    Fathi, R.; Akbarabadi, F.S.; Bolorizadeh, M.A.; Brunger, M.J.

    2015-01-01

    A 3-body Faddeev type formalism is applied to calculate the total excitation cross sections in the collision of a bare ion, A q+ (1 ≤ q ≤ 4), with atomic hydrogen, leading to the excitation of its 2s and 3s states. These calculations were undertaken at energies in the range 1 MeV-7 MeV. The first order electronic and nuclear amplitudes are included in the model, in order to calculate the differential and total excitation cross sections leading to the first order form factors. The present results are compared with the available data in the literature, specifically those from mono-centric close-coupling calculations. The Z-dependence of the 2s and 3s excitation cross sections are also determined, and compared with corresponding data available in the literature. Saturation is observable in the excitation cross sections in the 1-7 MeV energy region, which depends on the ratio of projectile's and target's nuclear charge. (authors)

  11. Calculation of neutral beam deposition accounting for excited states

    International Nuclear Information System (INIS)

    Gianakon, T.A.

    1992-09-01

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

  12. 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

  13. Search for aligned structure of /sup 12/C-. cap alpha. -/sup 12/C type at high excitation energy in /sup 28/Si. [46 MeV, J,. pi. , resonance, three-body problem

    Energy Technology Data Exchange (ETDEWEB)

    Burnereau, N

    1975-01-01

    The /sup 16/O+/sup 12/C..-->../sup 12/C+..cap alpha..+/sup 12/C reaction is studied mainly at 46MeV (at this energy a state of /sup 28/Si is presumably formed with a spin value of 14/sup +/; resonance of 19.7MeV c.m.). The motivation is to detect an ..cap alpha.. particle with a negligible energy in the c.m. system. This is the signature of the preformation of three aligned clusters in which the average location of the ..cap alpha.. particle is in between the two /sup 12/C's at the center of symmetry of the system. Such a detection is performed by detecting two /sup 12/C's in coincidence at specific angles. The data are understood by three-body calculations with a coupling of relative angular momenta governed by an unique J value. Experimentally, an ..cap alpha.. energy of 200keV is measured with good statistics, supporting the idea of aligned clusters as /sup 28/Si intrinsic shape, related to some highly excited states.

  14. States in 118Sn from 117Sn(d,p) 118Sn at 12 MeV

    International Nuclear Information System (INIS)

    Frota-Pessoa, E.

    1983-01-01

    118 Sn energy levels up to = 5.2 MeV excitation energy are studied in the reaction 117 Sn (d,p) 118 Sn. Deuterons had a bombarding energy of 12 MeV. The protons were analized by a magnetic spectrograph. The detector was nuclear emulsion and the resolution in energy about 10 KeV. The distorted-wave analysis was used to determine l values and spectroscopic strengths. Centers of gravity and the sums of reduced spectroscopic factors are presented for the levels when it was possible to determine the S' value. 66 levels of excitation energy were found which did not appear in previous 117 Sn (d,p) reactions. 40 levels were not found previously in any reaction giving 118 Sn. The results are compared with the known ones. (Author) [pt

  15. Autoionization spectra of He excited by fast (MeV) H/sup +/, He/sup +/, and Li/sup n//sup +/ (N = 1,2,3) ions

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, D.; Arcuni, P.; Bruch, P.; Stoeffler, W.

    1983-01-01

    Autoionization spectra of He following excitation by 1 to 3 MeV H/sup +/, He/sup +/, and Li/sup n//sup +/ (n = 1,2,3) have been measured as a function of observation angle. The (2p/sup 2/)/sup 1/D and (2s2p)/sup 1/P resonances have been examined and a strong dependence on projectile velocities, charge state and observation angle was found. The measurements were performed in a crossed-beam scattering chamber. The target-gas pressure was in the order of 10/sup -4/ Torr. The secondary electrons have been energy analyzed by a 45/sup 0/ parallel-plate analyzer. Results are presented and discussed. (WHK)

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Science.gov (United States)

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

    2010-03-04

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

  18. Excitation functions and isotopic effects in (n, p) reactions for stable nickel isotopes from reaction threshold to 20 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Lalremruata, B. [Department of Physics, University of Pune, Ganeshkhind, Pune-411007, Maharashtra (India)], E-mail: marema@physics.unipune.ernet.in; Ganesan, S. [Reactor Physics Design Division, BARC, Mumbai 58 (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Ganeshkhind, Pune-411007, Maharashtra (India)], E-mail: vnb@physics.unipune.ernet; Dhole, S.D. [Department of Physics, University of Pune, Ganeshkhind, Pune-411007, Maharashtra (India)], E-mail: sanjay@physics.unipune.ernet.in

    2009-05-01

    The excitation function for (n, p) reactions from reaction threshold to 20 MeV on five nickel isotopes viz; {sup 58}Ni, {sup 60}Ni, {sup 61}Ni, {sup 62}Ni and {sup 64}Ni were calculated using Talys-1.0 nuclear model code involving the fixed set of global parameters. A good agreement between the calculated and measured data is obtained with minimum effort on parameter fitting and only one free parameter called 'Shell damping factor'. This is of importance to the validation of nuclear model approaches with increased predictive power. The systematic decrease in (n, p) cross-sections with increasing neutron number in reactions induced by neutrons on isotopes of nickel is explained in terms of the proton separation energy and the pre-equilibrium model. The compound nucleus and pre-equilibrium reaction mechanism as well as the isotopic effects were also studied.

  19. Excitation functions of proton induced nuclear reactions on {sup nat}Fe up to 16 MeV, with emphasis on radiochemical determination of low cross sections

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, Md. Shuza [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Neurowissenschaften und Medizin (INM), Nuklearchemie (INM-5); Atomic Energy Research Establishment, Dhaka (Bangladesh). Tandem Accelerator Facilities; Chakraborty, Animesh Kumer [Chittagong Univ. of Engineering and Technology (Bangladesh). Dept. of Physics; Atomic Energy Research Establishment, Dhaka (Bangladesh). Tandem Accelerator Facilities; Spellerberg, Stefan; Spahn, Ingo; Qaim, Syed M. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Neurowissenschaften und Medizin (INM), Nuklearchemie (INM-5); Shariff, Md. Asad [Atomic Energy Research Establishment, Dhaka (Bangladesh). Tandem Accelerator Facilities; Rashid, Md. Abdur [Chittagong Univ. of Engineering and Technology (Bangladesh). Dept. of Physics

    2017-07-01

    Excitation functions for the formation of the radionuclides {sup 56}Co, {sup 57}Co, {sup 58m+g}Co and {sup 54}Mn via proton induced reactions on natural iron target were measured from their respective thresholds up to 16 MeV using the stacked-foil activation technique and HPGe detector γ-ray spectroscopy. In the threshold energy range, the low cross sections for {sup 54}Mn were measured radiochemically. All the measured values were compared with available experimental data and with theoretical calculations reproduced in TENDL-2015 nuclear data library. New data for the formation of {sup 57}Co, {sup 58}Co and {sup 54}Mn were obtained near their reaction thresholds. Other data obtained strengthen the database. Polynomial fittings of the data measured in this work as well as of all data sets (including the present data) were performed. The present data appear to be closer to theoretical calculations than the literature data.

  20. Hadron-induced semi-coherent scattering and the excitation of the 12C(2+, 4.4 MeV) level

    International Nuclear Information System (INIS)

    Bertocchi, L.; Troncon, C.

    1977-12-01

    In the framework of the Glauber theory, the expression of the amplitudes for the semicoherent excitation of the 2 + (4.4 MeV) level of 12 C with incident pion and proton beams is derived, including the spin-flip amplitudes in the latter case, using the formalism of harmonic solid tensors. The expressions of the differential cross-section and of the nuclear density matrices are computed and compared with the existing high-energy data. The overall agreement between theory and experimental results for the differential and integrated cross-sections and for the density matrix elements is satisfactory, solving, therefore, a discrepancy of a factor two found by previous authors

  1. Embedding potentials for excited states of embedded species

    International Nuclear Information System (INIS)

    Wesolowski, Tomasz A.

    2014-01-01

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

  2. Excited states of 117Sb populated in the reaction (α, 2nγ)

    International Nuclear Information System (INIS)

    Lobach, Y.N.; Trishin, V.V.

    1995-01-01

    The structure of 117 Sb levels populated in the reaction 115 In(α, 2nγ) at E α = 27.2 MeV is investigated. Data on γγ coincidences and the angular distributions of γ rays are used to construct the energy-level diagram and to determine the multipole orders of various transitions and the quantum numbers of levels. The positive-parity band based on the 9/2 + level is observed up to I = 23/2. A new band is revealed that is probably based on one of the isomer states. The levels of 117 Sb are interpreted in terms of the coupling of a proton to vibrations of the core or to three-quasiparticle excitations. Identical bands in the neighboring isotopes of Sb are discussed. 26 refs., 7 figs., 3 tabs

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

    Science.gov (United States)

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

    2010-02-01

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

  4. Excitation of autoionizing states of helium by 100 keV proton impact: theory and experiment

    International Nuclear Information System (INIS)

    Godunov, A.L.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Benhenni, M.; Bordenave-Montesquieu, A.

    1997-01-01

    A joint theoretical and experimental study of the excitation of the autoionizing (2s 2 ) 1 S, (2p 2 ) 1 D and (2s2p) 1 P states of helium by 100 keV proton impact is presented for the first time. The role of the three-body Coulomb interaction in the final state between the ejected electron, the scattered proton and the recoil helium ion is emphasized. Calculations have been carried out with inclusion of the three-body Coulomb interaction and within an expansion of a two-electron excitation amplitude in powers of projectile-target interaction up to the second order. A new parametrization is proposed to describe resonance profiles distorted by the Coulomb interaction in the final state (CIFS). New high-resolution (up to 68 meV) measurements of electron emission spectra made it possible to resolve the near-lying (2p 2 ) 1 D and (2s2p) 1 P resonances and reveal an evident distortion of the resonance profiles by CIFS for forward electron ejection angles below 40 o . (author)

  5. Excitation of autoionizing states of helium by 100 keV proton impact: theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Benhenni, M.; Bordenave-Montesquieu, A. [Universite Paul Sabatier, Toulouse (France). Laboratoire Collisions, Agregats, Reactivite; Schipakov, V.A. [Troitsk Institute for Innovation and Fusion Research, Moscow (Russian Federation)

    1997-12-14

    A joint theoretical and experimental study of the excitation of the autoionizing (2s{sup 2}){sup 1}S, (2p{sup 2}){sup 1}D and (2s2p){sup 1}P states of helium by 100 keV proton impact is presented for the first time. The role of the three-body Coulomb interaction in the final state between the ejected electron, the scattered proton and the recoil helium ion is emphasized. Calculations have been carried out with inclusion of the three-body Coulomb interaction and within an expansion of a two-electron excitation amplitude in powers of projectile-target interaction up to the second order. A new parametrization is proposed to describe resonance profiles distorted by the Coulomb interaction in the final state (CIFS). New high-resolution (up to 68 meV) measurements of electron emission spectra made it possible to resolve the near-lying (2p{sup 2}){sup 1}D and (2s2p){sup 1}P resonances and reveal an evident distortion of the resonance profiles by CIFS for forward electron ejection angles below 40{sup o}. (author).

  6. 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

  7. A study of the higher excitation levels of 11B via the 10B(n,n)10B and 10B(n,n')10B*(0.72, 1.74, 2.15, 3.59, 4.77 MeV) reactions

    International Nuclear Information System (INIS)

    Sadowski, E.T.

    1988-11-01

    As part of the study of the higher energy-level structure of 11 B, cross sections for elastic and inelastic scattering of neutrons from isotopically enriched 10 B samples have been measured for incident neutron energies from 3.03 MeV to 6.45 MeV in 250 keV increments and from 7.02 MeV to 12.01 MeV in 500 keV increments. Inelastic angular distributions for scattering to the states in parentheses in 10 B have been measured from the indicated energy up to 12.01 MeV; (0.718) from 3.02 MeV; (1.74) from 3.27 MeV; (2.15) from 3.77 MeV; (3.59) from 5.52 MeV; (4.77) from 7.02 MeV. The measurements at 3.02, 3.51, 4.02, and 4.51 MeV were done at nine laboratory angles from 20/degree/ to 158/degree/ in 17.5/degree/ increments with a sample that is isotopically 95.86% 10 B. All other distributions measured scattering at 11 laboratory angles from 18/degree/ to 158/degree/ in 15/degree/ increments from a sample that is isotopically 99.49% 10 B. The data are corrected for air scattering, sample attenuation, minor isotope impurity, multiple scattering, and elastic and inelastic scattering from the sample of the neutron source continuum and contaminants. An eight-channel, multilevel R-matrix analysis was performed on the data. Level energies, spins, and parities were deduced for twelve levels above 13 MeV excitation in 11 B. Only two definite and three tentative assignments for T = /1/2/ levels had been made previously above 13 MeV. The two definite levels were confirmed. Good agreement between the data and the R-matrix calculation in all analyzed channels was obtained for the proposed structure. 122 refs., 40 figs., 7 tabs

  8. High energy (MeV) ion-irradiated π-conjugated polyaniline: Transition from insulating state to carbonized conducting state

    International Nuclear Information System (INIS)

    Park, S.K.; Lee, S.Y.; Lee, C.S.; Kim, H.M.; Joo, J.; Beag, Y.W.; Koh, S.K.

    2004-01-01

    High energy (MeV) C 2+ , F 2+ , and Cl 2+ ions were irradiated onto π-conjugated polyaniline emeraldine base (PAN-EB) samples. The energy of an ion beam was controlled to a range of 3-4.5 MeV, with the ion dosage varying from 1x10 12 to 1x10 16 ions/cm 2 . The highest dc conductivity (σ dc ) at room temperature was measured to be ∼60 S/cm for 4.5 MeV Cl 2+ ion-irradiated PAN-EB samples with a dose of 1x10 16 ions/cm 2 . We observed the transition of high energy ion-irradiated PAN-EB samples from insulating state to conducting state as a function of ion dosage based on σ dc and its temperature dependence. The characteristic peaks of the Raman spectrum of the PAN-EB samples were reduced, while the D-peak (disordered peak) and the G peak (graphitic peak) appeared as the ion dose increased. From the analysis of the D and G peaks of the Raman spectra of the systems compared to multiwalled carbon nanotubes, ion-irradiated graphites, and annealed carbon films, the number of the clusters of hexagon rings with conducting sp 2 -bonded carbons increased with ion dosage. We also observed the increase in the size of the nanocrystalline graphitic domain of the systems with increasing ion dosage. The intensity of normalized electron paramagnelic resonance signal also increased in correlation with ion dose. The results of this study demonstrate that π-conjugated pristine PAN-EB systems changed from insulating state to carbonized conducting state through high energy ion irradiation with high ion dosage

  9. 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

  10. Calculations of core-excited states in Li

    International Nuclear Information System (INIS)

    Verbockhaven, G.; Hansen, J.E.

    1999-01-01

    We report on progress in the calculation of three-electron states making use of B-spline basis sets. In particular we discuss the advantages and disadvantages of using a Hartree-Fock basis (expanded in B-splines) compared to the use of hydrogenic basis states. Preliminary results are presented for the 2 S terms in Li below the 1s2s 3 S limit at 64.4 eV. The 2 S terms have been studied less extensively than other core-excited states in Li. In this particular case the choice of basis has a large influence on the quality of the results. (orig.)

  11. Excited states by analytic continuation of TBA equations

    International Nuclear Information System (INIS)

    Dorey, P.; Tateo, R.

    1996-01-01

    We suggest an approach to the problem of finding integral equations for the excited states of an integrable model, starting from the thermodynamic Bethe ansatz equations for its ground state. The idea relies on analytic continuation through complex values of the coupling constant, and an analysis of the monodromies that the equations and their solutions undergo. For the scaling Lee-Yang model, we find equations in this way for the one- and two-particle states in the spin-zero sector, and suggest various generalisations. Numerical results show excellent agreement with the truncated conformal space approach, and we also treat some of the ultraviolet and infrared asymptotics analytically. (orig.)

  12. Lifetimes of excited states in 196198Pt; application of interacting bason approximation model to even Pt isotopes systematics

    International Nuclear Information System (INIS)

    Bolotin, H.H.; Stuchbery, A.E.; Morrison, I.; Kennedy, D.L.; Ryan, C.G.; Sie, S.H.

    1981-01-01

    The lifetimes and lifetime limits of the low-lying excited states up to and including the 6 1 + levels in 196 198 Pt were determined by the rcoil-distance method (RDM). Gamma-ray angular distributions in 198 Pt were also measured. These states were populated by multiple Coulomb excitation using 220-MeV 58 Ni ion beams and the measurements carried out in coincidence with backscattered projectiles. The measured mean lives of the states and B(E2) values inferred for the transitions between levels are presented. These specific findings, and the observed structure systematics obtained from the combination of the present results and those of prior workers for the even 194 - 198 Pt isotopes, are critically compared with our structure calculations employing the Interacting Boson Approximation (IBA) model incorporating a symmetry-breaking quadrupole force. Evaluative comparisons are also made with Boson Expansion Theory (BET) calculations

  13. Lifetimes of excited states in 196, 198Pt; Application of interacting boson approximation model to even Pt isotopes systematics

    Science.gov (United States)

    Bolotin, H. H.; Stuchbery, A. E.; Morrison, I.; Kennedy, D. L.; Ryan, C. G.; Sie, S. H.

    1981-11-01

    The lifetimes and lifetime limits of the low-lying excited states up to and including the 6 1+ levels in 196, 198Pt were determined by the recoil-distance method (RDM). Gamma-ray angular distributions in 198Pt were also measured. These states were populated by multiple Coulomb excitation using 220 MeV 58Ni ion beams and the measurements were carried out in coincidence with back-scattered projectiles. The measured mean lives of the states and B(E2) values inferred for the transitions between levels are presented. These specific findings, and the observed structure systematics obtained from the combination of the present results and those of prior workers for the even 194-198Pt isotopes, are critically compared with our structure calculations employing the interacting boson approximation (IBA) model incorporating a symmetry-breaking quadrupole force; evaluative comparisons are also made with boson expansion theory (BET) calculations.

  14. Lifetimes of excited states in 196,198Pt; application of interacting boson approximation model to even Pt isotopes systematics

    International Nuclear Information System (INIS)

    Bolotin, H.H.; Stuchbery, A.E.; Morrison, I.; Kennedy, D.L.; Ryan, C.G.; Sie, S.H.

    1981-01-01

    The lifetimes and lifetime limits of the low-lying excited states up to and including the 6 + 1 levels in sup(196, 198)Pt were determined by the recoil-distance method (RDM). Gamma-ray angular distributions in 198 Pt were also measured. These states were populated by multiple Coulomb excitation using 220 MeV 58 Ni ion beams and the measurements were carried out in coincidence with backscattering projectiles. The measured mean lives of the states and B(E2) values inferred for the transitions between levels are presented. These specific findings, and the observed structure systematics obtained from the combination of the present results and those of prior workers for the even sup(194-198)Pt isotopes, are critically compared with our structure calculations employing the interacting boson approximation (IBA) model incorporating a symmetry-breaking quadrupole force; evaluative comparisons are also made with boson expansion theory (BET) calculations. (orig.)

  15. 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.)

  16. Magnetic excitations in intermediate valence semiconductors with singlet ground state

    International Nuclear Information System (INIS)

    Kikoin, K.A.; Mishchenko, A.S.

    1994-01-01

    The explanation of the origin inelastic peaks in magnetic neutron scattering spectra of the mixed-valent semiconductor SmB 6 is proposed. It is shown that the excitonic theory of intermediate valence state not only gives the value of the peak frequency but also explains the unusual angular dependence of intensity of inelastic magnetic scattering and describes the dispersion of magnetic excitations in good agreement with experiment

  17. Density-dependent phonoriton states in highly excited semiconductors

    International Nuclear Information System (INIS)

    Nguyen Hong Quang; Nguyen Minh Khue; Nguyen Que Huong

    1995-09-01

    The dynamical aspects of the phonoriton state in highly-photoexcited semiconductors is studied theoretically. The effect of the exciton-exciton interaction and nonbosonic character of high-density excitons are taken into account. Using Green's function method and within the Random Phase Approximation it is shown that the phonoriton dispersion and damping are very sensitive to the exciton density, characterizing the excitation degree of semiconductors. (author). 18 refs, 3 figs

  18. Molecular and excited state properties of isomeric scarlet disperse dyes

    Science.gov (United States)

    Lim, Jihye; Szymczyk, Malgorzata; Mehraban, Nahid; Ding, Yi; Parrillo-Chapman, Lisa; El-Shafei, Ahmed; Freeman, Harold S.

    2018-06-01

    This work was part of an investigation aimed at characterizing the molecular and excited state properties of currently available disperse dyes developed to provide stability to extensive sunlight exposures when adsorbed on poly(ethylene terephthalate) (PET) fibers. Having completed the characterization of yellow, magenta, and cyan disperse dyes for PET-based fabrics used outdoors, our attention turned to the colors designed to enhance the color gamut of a standard 4-member (cyan/yellow/magenta/black) color set. The present study pertained specifically to the characterization of commercially available scarlet dyes. In this regard, HPLC analysis showed that a scarlet product used for PET coloration was mainly a 70/30 mixture of dyes, and the use of HRMS and single crystal X-ray diffraction analyses indicated that these two dyes were azo compounds derived from isomeric pyridine-based couplers which differed in the location of the primary amino (sbnd NH2) and anilino (sbnd NHPh) groups attached to the pyridine ring. One dye structure has the sbnd NHPh group para to the azo group (Sc2), while the other has that group in the ortho position (Sc3). The presence of either ortho substituent provides photostabilization through intramolecular H-bonding with the azo moiety. Further, results from molecular modeling studies showed that the lower excited state oxidation potential of Sc3 relative to that of Sc2 allows Sc3 to function as an energy quencher for the excited state of Sc2 - through thermodynamically favorable electron transfer.

  19. Excitation functions of alpha particles induced nuclear reactions on natural titanium in the energy range of 10.4–50.2 MeV

    International Nuclear Information System (INIS)

    Usman, Ahmed Rufai; Khandaker, Mayeen Uddin; Haba, Hiromitsu; Otuka, Naohiko; Murakami, Masashi

    2017-01-01

    Highlights: • Detailed presentation of new results on experimental cross-sections of "n"a"tTi(α,x) processes. • Calculations of thick target yields for scandium and other radionuclides via the "n"a"tTi(α,x) production route. • Comparison with TENDL-2015 library. • Detailed review of previous experimental data. - Abstract: We studied the excitation functions of residual radionuclide productions from α particles bombardment on natural titanium in the energy range of 10.4–50.2 MeV. A well-established stacked-foil activation technique combined with HPGe γ-ray spectrometry was used to measure the excitation functions for the "5"1","4"9","4"8Cr, "4"8V, "4"3K, and "4"3","4"4"m","4"4"g","4"6"g"+"m","4"7","4"8Sc radionuclides. The thick target yields for all assessed radionuclides were also calculated. The obtained experimental data were compared with the earlier experimental ones and also with the evaluated data in the TENDL-2015 library. A reasonable agreement was found between this work and some of the previous ones, while a partial agreement was found with the evaluated data. The present results would further enrich the experimental database and facilitate the understanding of existing discrepancies among the previous measurements. The results would also help to enhance the prediction capability of the nuclear reaction model codes.

  20. Excitation functions of alpha particles induced nuclear reactions on natural titanium in the energy range of 10.4–50.2 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Usman, Ahmed Rufai [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Department of Physics, Umaru Musa Yar' adua University, Katsina (Nigeria); Khandaker, Mayeen Uddin, E-mail: mu_khandaker@um.edu.my [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia); Haba, Hiromitsu [Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan); Otuka, Naohiko [Nuclear Data Section, Division of Physical and Chemical Sciences, Department of Nuclear Sciences and Applications, International Atomic Energy Agency, A-1400 Vienna (Austria); Murakami, Masashi [Nishina Center for Accelerator-Based Science, RIKEN, Wako, Saitama 351-0198 (Japan)

    2017-05-15

    Highlights: • Detailed presentation of new results on experimental cross-sections of {sup nat}Ti(α,x) processes. • Calculations of thick target yields for scandium and other radionuclides via the {sup nat}Ti(α,x) production route. • Comparison with TENDL-2015 library. • Detailed review of previous experimental data. - Abstract: We studied the excitation functions of residual radionuclide productions from α particles bombardment on natural titanium in the energy range of 10.4–50.2 MeV. A well-established stacked-foil activation technique combined with HPGe γ-ray spectrometry was used to measure the excitation functions for the {sup 51,49,48}Cr, {sup 48}V, {sup 43}K, and {sup 43,44m,44g,46g+m,47,48}Sc radionuclides. The thick target yields for all assessed radionuclides were also calculated. The obtained experimental data were compared with the earlier experimental ones and also with the evaluated data in the TENDL-2015 library. A reasonable agreement was found between this work and some of the previous ones, while a partial agreement was found with the evaluated data. The present results would further enrich the experimental database and facilitate the understanding of existing discrepancies among the previous measurements. The results would also help to enhance the prediction capability of the nuclear reaction model codes.

  1. Wigner function for the generalized excited pair coherent state

    International Nuclear Information System (INIS)

    Meng Xiangguo; Wang Jisuo; Liang Baolong; Li Hongqi

    2008-01-01

    This paper introduces the generalized excited pair coherent state (GEPCS). Using the entangled state |η> representation of Wigner operator, it obtains the Wigner function for the GEPCS. In the ρ-γ phase space, the variations of the Wigner function distributions with the parameters q, α, k and l are discussed. The tomogram of the GEPCS is calculated with the help of the Radon transform between the Wigner operator and the projection operator of the entangled state |η 1 , η 2 , τ 1 , τ 2 >. The entangled states |η> and η 1 , η 2 , τ 1 , τ 2 > provide two good representative space for studying the Wigner functions and tomograms of various two-mode correlated quantum states

  2. 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.

  3. Excitation of higher lying energy states in a rubidium DPAL

    Science.gov (United States)

    Wallerstein, A. J.; Perram, Glen; Rice, Christopher A.

    2018-02-01

    The spontaneous emission in a cw rubidium diode dumped alkali laser (DPAL) system was analyzed. The fluorescence from higher lying states decreases with additional buffer gas. The intermediate states (7S, 6P, 5D) decay more slowly with buffer gas and scale super-linearly with alkali density. A detailed kinetic model has been constructed, where the dominant mechanisms are energy pooling and single photon ionization. It also includes pumping into the non-Lorentzian wings of absorption profiles, fine structure mixing, collisional de-excitation, and Penning ionization. Effects of ionization in a high powered CW rubidium DPAL were assessed.

  4. Chemical modulation of electronic structure at the excited state

    Science.gov (United States)

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

    2017-12-01

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  6. Energy dependence phase shift analysis of PI4He elastic scattering and the possibility of the (PI4He) excited states existence

    International Nuclear Information System (INIS)

    Nichitiu, F.; Falomkin, I.V.; Sapozhnikov, M.G.; Shcherbakov, Yu.A.; Piragino, G.

    1981-06-01

    In the 24 MeV-260 MeV kinetic energy interval, the energy dependent phase shift analysis of π 4 He elastic scattering is done. The eneray dependence is given by the rational fraction approximants of the partial S matrix. The search for the stable S matrix zero-pole pairs in the k and √s complex plane give some proofs for the existence of the (π 4 He) excited states in the S, P and probably D partial waves. (authors)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-02-19

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

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

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F. Bary

    2013-01-01

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

  9. Study of some excited states of 16O by correlation measurements

    International Nuclear Information System (INIS)

    Avril, M.; Bianchi, L.; Lepareux, M.; Saunier, N.; Fotti, A.; Pappalardo, G.; Strazzeri, A.

    Angular correlation measurements were used in the study of some 16 O highly excited levels, with 32 and 34 6 Li ions. The results indicate spins of 6 and 7 for the levels at 21.8 and 20.9 MeV of 16 O [fr

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

    International Nuclear Information System (INIS)

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

    1989-03-01

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

  11. 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.

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

    Science.gov (United States)

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

    2017-09-01

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

  13. Charmonium non-potential excitations

    International Nuclear Information System (INIS)

    Borue, V.Y.; Khokhlachev, S.B.

    1990-01-01

    Within the framework of an effective theory of quantum gluodynamics formulated earlier in terms of the glueball degrees of freedom, the excitations of gluon bunch formed by heavy quark and antiquark are considered. It is shown that these excitations correspond to the vibration of the gluon bunch shape and lie nearly 800 MeV higher than the charmonium ground state. The consequences of the existence of these excitations are discussed

  14. Excited state mass spectra of doubly heavy Ξ baryons

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-15

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

  15. Isoelectronic study of triply excited Li-like states

    International Nuclear Information System (INIS)

    Benis, E P; Zouros, T J M; Gorczyca, T W; Zamkov, M; Richard, P

    2003-01-01

    Absolute doubly differential cross sections (DDCSs) for the production and Auger decay of the intra-shell 2s2p 22 D triply excited state formed in collisions of He-like ions (Z = 5-9) with H 2 were determined experimentally, using zero-degree Auger projectile electron spectroscopy. The 2 D e state was directly produced by 180 deg. resonant scattering of the quasi-free H 2 electrons from the 1s2s 3 S metastable state of the ion. Resonant energies and DDCSs calculated using the R-matrix approach within the electron scattering model were found to be in good overall agreement with experiment. (letter to the editor)

  16. Psoralen phototherapy and the possible involvement of triplet excited states

    International Nuclear Information System (INIS)

    Bensasson, R.V.; Salet, E.J.; Land, E.J.

    1979-01-01

    Psoralens are important drugs used in the phototherapy of psoriasis and vitiligo. It has been predicted that the triplet excited state of psoralen is photoactive. The authors have employed pulse radiolysis and laser flash photolysis to determine the quantum yields of formation of the triplet states of psoralens and related molecules including 4'5' dihydropsoralen, a model for 4'5' psoralenpyrimidine mono-adducts. The triplet spectra were used to follow the reactions of the triplets with thymine and tryptophan. Such reactions may take place via a charge transfer mechanism. For 8-methoxy psoralen, in addition to triplet formation, photoionization was detected using high laser intensities. Although significant yields of psoralen triplets are formed, and some such triplets react with thymine, it is too early yet to say definitely whether or not the therapeutic action of psoralens is mediated via such triplet states. (Auth.)

  17. Excited-State Dynamics of Oxyluciferin in Firefly Luciferase

    KAUST Repository

    Snellenburg, Joris J.

    2016-11-23

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

  18. Excited-State Dynamics of Oxyluciferin in Firefly Luciferase

    KAUST Repository

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

    2016-01-01

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

  19. 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

  20. Splitting of the luminescent excited state of the uranyl ion

    International Nuclear Information System (INIS)

    Flint, C.D.; Sharma, P.; Tanner, P.A.

    1982-01-01

    The luminescence spectra of some uranyl compounds has been studied. It has been proposed that the splitting of the luminescent excited state of the uranyl ion is due to a descent in symmetry experienced by the uranyl ion when it is placed in a crystal field. In recent years there has been developed a highly successful model of the electronic structure of the uranyl ion. In this paper the authors use this model to interpret the luminescence spectra of a variety of uranyl compounds

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

    Science.gov (United States)

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

    2012-05-21

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

  2. Normalized Excited Squeezed Vacuum State and Its Applications

    International Nuclear Information System (INIS)

    Meng Xiangguo; Wang Jisuo; Liang Baolong

    2007-01-01

    By using the intermediate coordinate-momentum representation in quantum optics and generating function for the normalization of the excited squeezed vacuum state (ESVS), the normalized ESVS is obtained. We find that its normalization constants obtained via two new methods are uniform and a new form which is different from the result obtained by Zhang and Fan [Phys. Lett. A 165 (1992) 14]. By virtue of the normalization constant of the ESVS and the intermediate coordinate-momentum representation, the tomogram of the normalized ESVS and some useful formulae are derived.

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

    NARCIS (Netherlands)

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

    2003-01-01

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

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

    International Nuclear Information System (INIS)

    Fazio, P.M.

    1984-01-01

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

  5. Charge-state distribution in close collisions of 3 MeV C2+ ions with Ag and Au atoms

    NARCIS (Netherlands)

    Boerma, D.O; Arnoldbik, W.M.; Kabachnik, N.M.; Khodyrev, V.A.

    The charge-state distributions of 3 MeV carbon ions scattered over angles of 40 degrees and 60 degrees from sub-monolayers of Ag and Au atoms evaporated on a substrate and from thick layers of Ag and Au have been measured. A close similarity of the charge distributions in all cases is interpreted as

  6. Measurements of 14-MeV neutron cross-sections for the production of isomeric states in hafnium isotopes

    International Nuclear Information System (INIS)

    Patrick, B.H.; Sowerby, M.G.; Wilkins, C.G.; Russen, L.C.

    1990-01-01

    The cross sections for the production of isomeric states in the reactions 179 Hf(n,2n) 178m2 Hf, 180 Hf(n,2n) 179m2 Hf, 179 Hf(n,n') 179m2 Hf with 14 MeV neutrons have been measured and compared with the theoretical ones. 4 refs, 3 figs, 4 tabs

  7. 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.

  8. Investigation of excitation functions using new evaluated empirical and semi-empirical systematic for 14-15 MeV (n, t) reaction cross sections

    International Nuclear Information System (INIS)

    Tel, E.; Aydin, E. G.; Aydin, A.; Kaplan, A.

    2007-01-01

    The hybrid reactor is a combination of the fusion and fission processes. In the fusion-fission hybrid reactor, tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. Working out the systematics of (n,t) reaction cross sections is of great importance for the definition of the excitation function character for the given reaction taking place on various nuclei at energies up to 20 MeV. In this study, we have investigated the asymmetry term effect for the (n,t) reaction cross sections at 14-15 neutron incident energy. It has been discussed the odd even effect and the pairing effect considering binding energy systematic of the nuclear shell model for the new experimental data and new cross section formulas (n,t) reactions developed by Tel et al. We have determined a different parameter groups by the classification of nuclei into even-even, even-odd and odd-even for (n,t) reactions cross sections. The obtained empirical formulas by fitting two parameter for (n,t) reactions were given. All calculated results have been compared with the experimental data. By using the new cross sections formulas (n,t) reactions the obtained results have been discussed and compared with the available experimental data

  9. 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).

  10. 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.

  11. Excited state mass spectra of singly charmed baryons

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-15

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

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

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  13. Cross sections measurement of isomeric states formation in nuclear reactions induced by neutrons of 14 Mev and comparison with statistical theories

    International Nuclear Information System (INIS)

    El Bardouni, T.

    1989-01-01

    Excitation functions of some (n,2n), (n,p) and (n,alpha) reactions on isotopes taken in different mass regions have been measured around 14 Mev. We give more interest to reactions leading to residual nucleus in isomeric states. Quasi-monoenergetic neutrons are produced via the T(d,n)alpha reaction and activation technique is combined to high resolution gamma-ray spectrometry. In the measurement of samples activities, we have scanned carefully the different origins of uncertainties and taken into account all necessary corrections. We have also carried out a detailed study about the nuclear reactions theory (compound nucleus and Geometry Dependent Hybrid Models) in order to compare our measurements results and theoretical calculations. The EMPIRE code (based on compound nucleus and Geometry Dependent Hybrid Models), that we have adapted on IBM Personal Computer, allows us to reproduce with great satisfaction the measured excitation functions without adjusting the models parameters. So we can rely on the EMPIRE code, as it is done in its work, in the prediction of some nuclear reactions excitation functions that cannot be determined by means of activation technique and gamma-ray spectrometry. 88 refs., 43 figs., 16 tabs., 1 chart. (author)

  14. Study of some excited states in 21Ne-21Na, 18O-18F and 15N-15O nuclei

    International Nuclear Information System (INIS)

    Drain, D.

    1977-01-01

    The study of 21 Ne- 21 Na, 18 O- 18 F and 15 N- 15 O nuclei was performed through proton capture and transfer reactions and allows to determine the spins and parities of some excited states, give the gamma deexcitation schemes of these levels, compute the neutron and proton reduced width γ 2 sub(n) and γ 2 sub(p). The levels studied are: in 21 Na 4.15 20 Ne(p,p), (p,p'), (p,p'γ) and (pγ) reactions) and in 21 Ne: E(exc)=4.73, 5.69 and 5.78 MeV ( 20 Ne (p,p) reaction); in 18 O: E(exc) 17 O(d,p) reaction); in 15 O: 8.92 MeV doublet and 8.98 MeV level (angular correlation 14 N(p,γγ) and in 15 N: 9.05 14 N(d,p) reaction). A comparison with theoretical results is discussed and analog states are pointed out [fr

  15. 12C(d,p) 13C reaction at Esub(d) = 30 MeV to the positive-parity states in 13C

    International Nuclear Information System (INIS)

    Ohnuma, H.; Hoshino, N.; Mikoshiba, O.

    1985-07-01

    The 12 C(d, p) 13 C reaction has been studied at Esub(d) = 30 MeV. All the known positive-parity states of 13 C below 10 MeV in excitation energy, including the 7/2 + and 9/2 + states, are observed in this reaction. The angular distributions for these positive-parity bound and unbound states are analyzed in CCBA frame work. The 13 C wave functions, which reproduce the resonant and non-resonant scattering of neutrons from 12 C, also give good accounts of the experimentally observed angular distributions and energy spectra of outgoing protons in the 12 C(d, p) 13 C reaction. In most cases the cross section magnitude and the angular distribution shape are primarily determined by the 0 + x j component, even if it is only a small fraction of the total wave function. An exception is the 7/2 + state, where the main contribution comes from the 2 + x dsub(5/2) component. The inclusion of the 4 + state in 12 C and the gsub(9/2) and gsub(7/2) neutron components in the n + 12 C system has very small effects on the low-spin states, but is indispensable for a good fit to the 7/2 + and 9/2 + angular distributions. The transitions to the negative-parity states, 1/2 1 - , 3/2 1 - , 5/2 - , 7/2 - and 1/2 3 - , are also observed experimentally, and analyzed by DWBA. (author)

  16. 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.)

  17. Excited state dynamics & optical control of molecular motors

    Science.gov (United States)

    Wiley, Ted; Sension, Roseanne

    2014-03-01

    Chiral overcrowded alkenes are likely candidates for light driven rotary molecular motors. At their core, these molecular motors are based on the chromophore stilbene, undergoing ultrafast cis/trans photoisomerization about their central double bond. Unlike stilbene, the photochemistry of molecular motors proceeds in one direction only. This unidirectional rotation is a result of helicity in the molecule induced by steric hindrance. However, the steric hindrance which ensures unidirectional excited state rotation, has the unfortunate consequence of producing large ground state barriers which dramatically decrease the overall rate of rotation. These molecular scale ultrafast motors have only recently been studied by ultrafast spectroscopy. Our lab has studied the photochemistry and photophysics of a ``first generation'' molecular motor with UV-visible transient absorption spectroscopy. We hope to use optical pulse shaping to enhance the efficiency and turnover rate of these molecular motors.

  18. 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)

  19. 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.)

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

    International Nuclear Information System (INIS)

    Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoit

    2008-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1976-01-01

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

  2. 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

  3. Photophysics of trioxatriangulenium ion. Electrophilic reactivity in the ground state and excited singlet state

    DEFF Research Database (Denmark)

    Reynisson, J.; Wilbrandt, R.; Brinck, V.

    2002-01-01

    . The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....

  4. Search for higher excited states of $^{8}$Be* to study the cosmological $^{7}$Li problem

    CERN Multimedia

    We would like to study the unresolved $^{7}$Li abundance anomaly by carrying out experiments that destroy the rare isotope $^{7}$Be, the main source of $^{7}$Li. Utilizing a 35 MeV $^{7}$Be beam from HIE-ISOLDE, we would like to measure the (d,p) and (d,d) reactions with T-REX. The higher beam energy, for the first time, would allow us to measure higher excitation energies in $^{8}$Be up to about 20 MeV. With a wider angular coverage, we can make improved average cross-section measurement without assuming isotropy done in earlier works.

  5. Gyromagnetic ratios of excited states in 198Pt; measurements and interacting boson approximation model calculations

    Science.gov (United States)

    Stuchbery, A. E.; Ryan, C. G.; Bolotin, H. H.; Morrison, I.; Sie, S. H.

    1981-07-01

    The enhanced transient hyperfine field manifest at the nuclei of swiftly recoiling ions traversing magnetized ferromagnetic materials was utilized to measure the gyromagnetic ratios of the 2 +1, 2 +2 and 4 +1 states in 198Pt by the thin-foil technique. The states of interest were populated by Coulomb excitation using a beam of 220 MeV 58Ni ions. The results obtained were: g(2 +1) = 0.324 ± 0.026; g(2 +2) = 0.34 ± 0.06; g(4 +1) = 0.34 ± 0.06. In addition, these measurements served to discriminate between the otherwise essentially equally probable values previously reported for the E2/M1 ratio of the 2 +2 → 2 +1 transition in 198Pt. We also performed interacting boson approximation (IBA) model-based calculations in the O(6) limit symmetry, with and without inclusion of a small degree of symmetry breaking, and employed the M1 operator in both first- and second-order to obtain M1 selection rules and to calculate gyromagnetic ratios of levels. When O(6) symmetry is broken, there is a predicted departure from constancy of the g-factors which provides a good test of the nuclear wave function. Evaluative comparisons are made between these experimental and predicted g-factors.

  6. 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

  7. 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.

  8. Theoretical description of excited state dynamics in nanostructures

    Science.gov (United States)

    Rubio, Angel

    2009-03-01

    There has been much progress in the synthesis and characterization of nanostructures however, there remain immense challenges in understanding their properties and interactions with external probes in order to realize their tremendous potential for applications (molecular electronics, nanoscale opto-electronic devices, light harvesting and emitting nanostructures). We will review the recent implementations of TDDFT to study the optical absorption of biological chromophores, one-dimensional polymers and layered materials. In particular we will show the effect of electron-hole attraction in those systems. Applications to the optical properties of solvated nanostructures as well as excited state dynamics in some organic molecules will be used as text cases to illustrate the performance of the approach. Work done in collaboration with A. Castro, M. Marques, X. Andrade, J.L Alonso, Pablo Echenique, L. Wirtz, A. Marini, M. Gruning, C. Rozzi, D. Varsano and E.K.U. Gross.

  9. 2He decay from excited states: the 18Ne case

    International Nuclear Information System (INIS)

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

    2011-01-01

    Two-proton radioactivity studies have been performed on excited states of 18 Ne produced by 20 Ne fragmentation at the FRIBs facility of the Laboratori Nazionali del Sud. The study of the relative-momentum correlations of the two protons allowed to disentangle the diproton, democratic and sequential decay contributions to the 2p emission. In order to extend the study on two-proton decay to other light-masses nuclei, an upgrade of the FRIBs facility is planned. A new configuration of the Fragment Separator would be able to increase the acceptance of the beam line and therefore the yield of the produced radioactive beams. Also the present tagging setup will be modified in view of the gain intensity, in order to sustain the higher foreseen incoming rate. Status and perspectives of the facility will be presented. (author)

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

    International Nuclear Information System (INIS)

    Ducas, T.W.

    1978-01-01

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

  11. Transfer matrices and excitations with matrix product states

    International Nuclear Information System (INIS)

    Zauner, V; Rams, M M; Verstraete, F; Draxler, D; Vanderstraeten, L; Degroote, M; Haegeman, J; Stojevic, V; Schuch, N

    2015-01-01

    We use the formalism of tensor network states to investigate the relation between static correlation functions in the ground state of local quantum many-body Hamiltonians and the dispersion relations of the corresponding low-energy excitations. In particular, we show that the matrix product state transfer matrix (MPS-TM)—a central object in the computation of static correlation functions—provides important information about the location and magnitude of the minima of the low-energy dispersion relation(s), and we present supporting numerical data for one-dimensional lattice and continuum models as well as two-dimensional lattice models on a cylinder. We elaborate on the peculiar structure of the MPS-TM’s eigenspectrum and give several arguments for the close relation between the structure of the low-energy spectrum of the system and the form of the static correlation functions. Finally, we discuss how the MPS-TM connects to the exact quantum transfer matrix of the model at zero temperature. We present a renormalization group argument for obtaining finite bond dimension approximations of the MPS, which allows one to reinterpret variational MPS techniques (such as the density matrix renormalization group) as an application of Wilson’s numerical renormalization group along the virtual (imaginary time) dimension of the system. (paper)

  12. 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.

  13. Resonant states in 13C and 16,17O at high excitation energy

    International Nuclear Information System (INIS)

    Rodrigues, M R D; Borello-Lewin, T; Miyake, H; Duarte, J L M; Rodrigues, C L; Horodynski-Matsushigue, L B; Ukita, G M; Cappuzzello, F; Foti, A; Cavallaro, M; Agodi, C; Cunsolo, A; Carbone, D; Bondi, M; Napoli, M De; Roeder, B T; Linares, R; Lombardo, I

    2014-01-01

    The 9 Be( 6 Li,d) 13 C and 12,13 C( 6 Li,d) 16,17 O reactions were measured at the São Paulo Pelletron-Enge-Spectrograph facility at 25.5 MeV incident energy. The nuclear emulsion detection technique was applied. Several narrow resonances were populated up to approximately 17 MeV of excitation energy. An excellent energy resolution was obtained: 40 keV for 13 C and 15-30 keV for 16 O. The upper limit for the resonance widths were determined. Recently, d-a angular correlations were measured at θ d = 0° with incident energy of 25 MeV using the LNS Tandem-MAGNEX Spectrometer facility

  14. Resonant states in 13C and 16,17O at high excitation energy

    Science.gov (United States)

    Rodrigues, M. R. D.; Borello-Lewin, T.; Miyake, H.; Duarte, J. L. M.; Rodrigues, C. L.; Horodynski-Matsushigue, L. B.; Ukita, G. M.; Cappuzzello, F.; Cavallaro, M.; Foti, A.; Agodi, C.; Cunsolo, A.; Carbone, D.; Bondi, M.; De Napoli, M.; Roeder, B. T.; Linares, R.; Lombardo, I.

    2014-12-01

    The 9Be(6Li,d)13C and 12,13C(6Li,d)16,17O reactions were measured at the São Paulo Pelletron-Enge-Spectrograph facility at 25.5 MeV incident energy. The nuclear emulsion detection technique was applied. Several narrow resonances were populated up to approximately 17 MeV of excitation energy. An excellent energy resolution was obtained: 40 keV for 13C and 15-30 keV for 16O. The upper limit for the resonance widths were determined. Recently, d-a angular correlations were measured at θd = 0° with incident energy of 25 MeV using the LNS Tandem-MAGNEX Spectrometer facility.

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  16. Inelastic proton scattering at 800 MeV to the 12C 15.11-MeV state: A search for nuclear critical opalescence

    International Nuclear Information System (INIS)

    Haji-Saeid, M.; Glashausser, C.; Igo, G.; Cornelius, W.; Gazzaly, M.; Irom, F.; McClelland, J.; Moss, J.M.; Pauletta, G.; Thiessen, H.A.; Whitten, C.A. Jr.

    1980-01-01

    The differential cross section for the reaction 12 C(p,p') 12 C* (15.11 MeV, 1 + , T=1) has been measured at 800 MeV; the range of the angular distribution corresponds to momentum transfers of 0.7--2.4 fm -1 [(1-3.3)m/sub π/]. The cross section decreases almost exponentially at large angles; no maximum is observed in the region where nuclear critical opalescence might be expected

  17. Charge-state distributions of 100, 175, 275, and 352 MeV gold ions emerging from thin carbon foils

    International Nuclear Information System (INIS)

    Martin, J.A.; Auble, R.L.; Erb, K.A.; Jones, C.M.; Olsen, D.K.

    1985-01-01

    These measurements were undertaken as a consequence of our failure early this year to accelerate Au +46 ions in the Oak Ridge Isochronous Cyclotron using an injected beam of 352 MeV 197 Au +17 from the 25 MV tandem accelerator. Following that unsuccessful test, we made a preliminary measurement of the charge-state distribution of 352 MeV 197 Au ions emerging from a carbon foil using the bending magnet that is a part of the cyclotron beam injection system. The measured mean charge was approx.38.5, about 4.5 charge-states lower than predicted by the Sayer semi-empirical formula. The measurements reported here were done more precisely and systematically confirm that preliminary result. 12 refs., 5 figs., 4 tabs

  18. Charge-state distributions of 100, 175, 275, and 352 MeV gold ions emerging from thin carbon foils

    Energy Technology Data Exchange (ETDEWEB)

    Martin, J.A.; Auble, R.L.; Erb, K.A.; Jones, C.M.; Olsen, D.K.

    1985-01-01

    These measurements were undertaken as a consequence of our failure early this year to accelerate Au/sup +46/ ions in the Oak Ridge Isochronous Cyclotron using an injected beam of 352 MeV /sup 197/Au/sup +17/ from the 25 MV tandem accelerator. Following that unsuccessful test, we made a preliminary measurement of the charge-state distribution of 352 MeV /sup 197/Au ions emerging from a carbon foil using the bending magnet that is a part of the cyclotron beam injection system. The measured mean charge was approx.38.5, about 4.5 charge-states lower than predicted by the Sayer semi-empirical formula. The measurements reported here were done more precisely and systematically confirm that preliminary result. 12 refs., 5 figs., 4 tabs.

  19. Dynamics of the excited state intramolecular charge transfer

    International Nuclear Information System (INIS)

    Joo, T.; Kim, C.H.

    2006-01-01

    The 6-dodecanoyl-2-dimethylaminonaphtalene (laurdan), a derivative of 6-propanoyl- 2-dimethylaminonaphthalene (prodan), has been used as a fluorescent probe in cell imaging, especially in visualizing the lipid rafts by the generalized polarization (GP) images, where GP=(I 440 -I 490 )/(I 440 +I 490 ) with I being the fluorescence intensity. The fluorescence spectrum of laurdan is sensitive to its dipolar environment due to the intramolecular charge transfer (ICT) process in S 1 state, which results in a dual emission from the locally excited (LE) and the ICT states. The ICT process and the solvation of the ICT state are very sensitive to the dipolar nature of the environment. In this work, the ICT of laurdan in ethanol has been studied by femtosecond time resolved fluorescence (TRF), especially TRF spectra measurement without the conventional spectral reconstruction method. TRF probes the excited states exclusively, a unique advantage over the pump/probe transient absorption technique, although time resolution of the TRF is generally lower than transient absorption and the TRF spectra measurement was possible only though the spectral reconstruction. Over the years, critical advances in TRF technique have been made in our group to achieve <50 fs time resolution with direct full spectra measurement capability. Detailed ICT and the subsequent solvation processes can be visualized unambiguously from the TRF spectra. Fig. 1 shows the TRF spectra of laurdan in ethanol at several time delays. Surprisingly, two bands at 433 and 476 nm are clearly visible in the TRF spectra of laurdan even at T = 0 fs. As time increases, the band at 476 nm shifts to the red while its intensity increases. The band at 433 nm also shifts slightly to the red, but loses intensity as time increases. The intensity of the 476 nm band reaches maximum at around 5 ps, where it is roughly twice as intense as that at 0 fs, and stays constant until lifetime decay is noticeable. The spectra were fit by

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-11-10

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

  1. 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

  2. ANC of 6.92 MeV (2"+) and 7.12 MeV (1"-) states from sub-Coulomb "1"2C("6Li,d) data

    International Nuclear Information System (INIS)

    Mondal, Ashok; Basu, C.; Adhikari, S.

    2016-01-01

    The determination of the astrophysical S-factor of the "1"2C(α,γ) reaction at 300 keV requires a R-matrix extrapolation. This is because a direct measurement of this reaction at 300 keV is almost impossible due to the very small cross-section. The R-matrix extrapolation requires as input the asymptotic normalization constant (ANC) of mainly two "1"6O states states viz. 6.92 MeV and 7.12 MeV on which the fit is most sensitive. The ANC of these two states have been determined from indirect measurements, mainly from "1"2C("6Li,d) and "1"2C("7Li,t) alpha transfer reactions. Most of these measurements are done at above barrier energies as cross-sections are larger. In this work, we determine the ANC of the 6.92 MeV and 7.12 MeV states of "1"6O using the "1"2C("6Li,d) data of Heikkinen et al measured at 4.5 to 5.0 MeV incident energies. The data spans over a larger angular span in comparison to Avila though the former data do not cover the very backward angles as in the Avila data. As the Heikkinen data has never been analyzed to extract the ANC we report the results of our analysis of the data

  3. Decay of the giant quadrupoles resonance and higher excitation states in 40Ca

    International Nuclear Information System (INIS)

    Alamanos, N.; Fernandez, B.; Gillibert, A.

    1991-01-01

    Light charged particles have been measured in coincidence with inelastically scattered fragments from the 40 Ca + 40 Ca reaction at 50 MeV/N. Such a measurement allows to unravel the different reaction mechanisms contributing to the inelastic spectrum: pick-up break-up reactions, knock out and inelastic excitations. The giant quadrupole resonance in 40 Ca is shown to present a 30% non statistical decay branch. A prominent structure at 34 MeV is attributed to target excitation, the decay of this structure is studied

  4. Charge-state-distributions of foil-excited heavy Rydberg atoms

    International Nuclear Information System (INIS)

    Faibis, A.; Kanter, E.P.; Koenig, W.; Zabransky, B.J.

    1985-01-01

    Studies of foil-excited fast (MeV/amu) heavy ions have demonstrated large yields of high Rydberg atoms formed in such beams. Further experiments have suggested a strong target-thickness dependence of the yields of such atoms. These results have been puzzling in view of the supposed short mean free paths of such atoms in solids. In an effort to better understand these results, the authors have measured the yields of Rydberg atoms (napprox.100-200) in foil-excited 32 S ions at an incident energy of 125 MeV

  5. Contribution estimate of the 2+(1.78 MeV) level excitation in silicon nucleus to the cross section of the 28Si(π, 3π)28Si * reaction

    International Nuclear Information System (INIS)

    Ermekov, N.T.; Korotkikh, V.L.; Starkov, N.I.

    1981-01-01

    For the purpose of studying the channel contribution with low-lying level excitation in silicon nucleus into the differential cross section of the reaction the π - + 28 Si→π - +π - +π + + 28 Si reaction is investigated at the bombarding 16 GeV/c pion momentum. The calculation of differential cross sections on the basis of the Glauber model with a factorizing nucleus density is performed. The found parameters of nuclear densities are tabulated. The investigated reaction differential cross sections are calculated with account of coherent production as well as the channel with 2 + (1.78 MeV) level excitation. The calculated differential cross sections values integrated by the effective mass of the produced three-pion system (0.9 GeV + , 1.78 MeV)=0.25 mb are obtained. It is shown that filling the diffraction minimum in three-pion production differential cross section for ''alive'' silicon target is due to contribution from events with the excitation of the low-lying level 2 + (1.78 MeV) [ru

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

    DEFF Research Database (Denmark)

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

    2017-01-01

    iron complexes with four cyanide (CN-;) ligands and one 2,2′-bipyridine (bpy) ligand. This enables MLCT excited state and metal-centered excited state energies to be manipulated with partial independence and provides a path to suppressing spin crossover. We have combined X-ray Free-Electron Laser (XFEL...... state lifetime of iron based complexes due to spin crossover-the extremely fast intersystem crossing and internal conversion to high spin metal-centered excited states. We revitalize a 30 year old synthetic strategy for extending the MLCT excited state lifetimes of iron complexes by making mixed ligand...

  7. 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.

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

    International Nuclear Information System (INIS)

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

    1984-01-01

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

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

    International Nuclear Information System (INIS)

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

    1984-01-01

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

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

    International Nuclear Information System (INIS)

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

    1982-01-01

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

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

    International Nuclear Information System (INIS)

    Krutov, V.A.

    1985-01-01

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

  12. Hertzian spectroscopy application to excited states in accelerated ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Gaillard, M L

    1974-01-01

    Accelerated ion beams enables the application of optical hertzian spectrometry methods to be extended to research on the excited states of free ionic systems. The photon beat method has proved especially simple to apply in beam foil geometry because of the unidirectional beam velocity while the beam gas device is suitable for experiments of the energy level crossing type. Only the resonance technique involving direct application of high-frequency magnetic fields poses serious problems because of the high HF powers necessary. So far structure intervals have been measured in ions carrying up to three charges (seven in the special case of Lamb shift measurements) with a precision of a few percent. Study of hydrogen-like or helium-like ions of high Z allows the fundamental calculations of quantum electrodynamics to be checked with regard to the Lamb shift or the spontaneous emission theory. In more complex electronic systems, optical spectroscopy of accelerated ion beams gives wavelengths with a resolution reaching 10/sup -5/, lifetimes with an accuracy better than 10% when the cascade effects are properly studied, and Lande factors with a precision of several % under present technical conditions. The photon beat method concerns hyperfine nuclear effects in light atoms of Z < = 20. (FR)

  13. The Structure of the Nucleon and its Excited States

    International Nuclear Information System (INIS)

    None

    1995-01-01

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

  14. Identification of a pseudoscalar state at 1440 MeV in J/psi radiative decays

    International Nuclear Information System (INIS)

    Edwards, C.; Partridge, R.; Peck, C.; Porter, F.C.; Antreasyan, D.; Gu, Y.F.; Irion, J.; Kollmann, W.; Richardson, M.; Strauch, K.; Wacker, K.; Weinstein, A.; Aschman, D.; Burnett, T.; Cavalli-Sforza, M.; Coyne, D.; Newman, C.; Sadrozinski, H.F.W.; Gelphman, D.; Hofstadter, R.; Horisberger, R.; Kirkbride, I.; Kolanoski, H.; Koenigsmann, K.; Lee, R.; Liberman, A.; O'Reilly, J.; Osterheld, A.; Pollock, B.; Tompkins, J.; Bloom, E.D.; Bulos, F.; Chestnut, R.; Gaiser, J.; Godfrey, G.; Kiesling, C.; Lockman, W.; Oreglia, M.; Scharre, D.L.

    1982-01-01

    From a partial-wave analysis of the KK-barπ system in the decay J/psi→γK + K - π 0 , it is determined that the quantum numbers of the KK-barπ resonance at 1440 MeV, previously identified as the E(1420), are J/sup P/C = 0 -+ . This new particle has been named the iota

  15. Doubly differential detachment cross sections for 0.5-MeV H- on He including projectile excitation to H(n=2)

    International Nuclear Information System (INIS)

    Liu, C.; Starace, A.F.

    1989-01-01

    Detailed theoretical results are presented for the electron-detachment cross section, doubly differential in both the electron momentum and angle, for the process 0.5-MeV H - +He→H(n=2)+e - +He * . As discussed briefly elsewhere [C. R. Liu and A. F. Starace, Phys. Rev. Lett. 62, 407 (1989)], the laboratory-frame doubly differential cross sections (DDCS's) for electron detachment in the forward direction are shown to depend sensitively on the low-energy states of the H(n=2)-e - three-body system. In particular, the angular dependence of characteristic cusp and shape resonance features is presented. We find that the projectile frame DDCS for detached electron energies in the vicinity of the shape resonance peak is nearly isotropic. This is due in part to the 1 P symmetry of the resonance feature, which limits the angular distribution to constant and cos 2 θ terms, and in part to cancellation in the integral over momentum transfer on which the coefficient of the cos 2 θ term depends

  16. Self-excited vibration control for axially fast excited beam by a time delay state feedback

    International Nuclear Information System (INIS)

    Hamdi, Mustapha; Belhaq, Mohamed

    2009-01-01

    This work examines the control of self-excited vibration of a simply-supported beam subjected to an axially high-frequency excitation. The investigation of the resonant cases are not considered in this paper. The control is implemented via a corrective position feedback with time delay. The objective of this control is to eliminate the undesirable self-excited vibrations with an appropriate choice of parameters. The issue of stability is also addressed in this paper. Using the technique of direct partition of motion, the dynamic of discretized equations is separated into slow and fast components. The multiple scales method is then performed on the slow dynamic to obtain a slow flow for the amplitude and phase. Analysis of this slow flow provides analytical approximations locating regions in parameters space where undesirable self-excited vibration can be eliminated. A numerical study of these regions is performed on the original discretized system and compared to the analytical prediction showing a good agreement.

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

    KAUST Repository

    Filatov, Mikhail A.

    2015-10-13

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

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

    KAUST Repository

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

    2015-01-01

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

  19. Dependence of the giant dipole strength function on excitation energy

    International Nuclear Information System (INIS)

    Draper, J.E.; Newton, J.O.; Sobotka, L.G.; Lindenberger, H.; Wozniak, G.J.; Moretto, L.G.; Stephens, F.S.; Diamond, R.M.; McDonald, R.J.

    1982-01-01

    Spectra of γ rays associated with deep-inelastic products from the 1150-MeV 136 Xe+ 181 Ta reaction have been measured. The yield of 10--20-MeV γ rays initially increases rapidly with the excitation energy of the products and then more slowly for excitation energies in excess of 120 MeV. Statistical-model calculations with ground-state values of the giant dipole strength function fail to reproduce the shape of the measured γ-ray spectra. This suggests a dependence of the giant dipole strength function on excitation energy

  20. Excitation function of ''7''4Ge(n, α)''7''1''mZn reaction in the energy range 13.82-14.70 MeV

    International Nuclear Information System (INIS)

    Halim, M.A.; Hafiz, M.A.; Naher, K.; Miah, R.U.; Ullah, M.R.

    2003-01-01

    The excitation function of the reaction ''7''4Ge(n, α)''7''1''mZn is measured by activation technique using high resolution HPGe detector gamma ray spectroscopy. Monoenergetic neutrons are produced via D-T reaction at J-25 neutron generator facility of the Institute of Nuclear Science and Technology, AERE, Bangladesh. The neutron flux measurement was done at different energy position in the range 13.82-14.70 MeV using the monitor reaction ''2''7Al(n, α)''2''4Na. The measured cross section values along with the literature data are plotted as a function of neutron energy to get the excitation function of the reaction. A theoretical calculation is also performed to produce the excitation function of the investigated reaction using statistical code SINCROS-II. The measured data are to be found to be in good agreement with the literature data and the theoretical cross section values. (author)

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

    Indian Academy of Sciences (India)

    Administrator

    cal reactions to the determination of paleotempera- tures from isotopic ... ordered liquid than H2O due to stronger H-bond in- teractions in the deuterated water ... layer chromatography and monitoring the excitation wavelength dependence of ...

  2. Wigner function and tomogram of the excited squeezed vacuum state

    International Nuclear Information System (INIS)

    Meng Xiangguo; Wang Jisuo; Fan Hongyi

    2007-01-01

    The excited squeezed light (ESL) can be the outcome of interaction between squeezed light probe and excited atom, which can explore the status and the structure of the atom. We calculate the Wigner function and tomogram of ESL that may be comparable to the experimental measurement of quadrature-amplitude distribution for the light field obtained using balanced homodyne detection. The method of calculation seems new

  3. Wigner function and tomogram of the excited squeezed vacuum state

    Energy Technology Data Exchange (ETDEWEB)

    Meng Xiangguo [Department of Physics, Liaocheng University, Shandong Province 252059 (China); Wang Jisuo [Department of Physics, Liaocheng University, Shandong Province 252059 (China)]. E-mail: jswang@lcu.edu.cn; Fan Hongyi [Department of Physics, Liaocheng University, Shandong Province 252059 (China); CCAST (World Laboratory), P.O. Box 8730, 100080 Beijing (China)

    2007-01-29

    The excited squeezed light (ESL) can be the outcome of interaction between squeezed light probe and excited atom, which can explore the status and the structure of the atom. We calculate the Wigner function and tomogram of ESL that may be comparable to the experimental measurement of quadrature-amplitude distribution for the light field obtained using balanced homodyne detection. The method of calculation seems new.

  4. 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)

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

    International Nuclear Information System (INIS)

    Lee, Ingu; Pang, Yoonsoo; Lee, Sebok

    2014-01-01

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

  6. Dynamics of excited-state intramolecular proton transfer reactions in piroxicam. Role of triplet states

    Science.gov (United States)

    Cho, Dae Won; Kim, Yong Hee; Yoon, Minjoong; Jeoung, Sae Chae; Kim, Dongho

    1994-08-01

    The picosecond time-resolved fluorescence and transient absorption behavior of piroxicam at room temperature are reported. The keto tautomer in the excited singlet state ( 1K*) formed via the fast intramolecular proton transfer (≈ 20 ps) is observed. The short-lived (7.5 ns) triplet state of keto tauomer ( 3K*) is generated from 1K * in toluene whereas it is hardly observed in ethanol. Consequently, rapid reverse proton transfer takes place from 3K * to the enol triplet state ( 3E *.

  7. 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

  8. Inelastic scattering of high transfer moment electrons to the first excited state (Jsup(π)=3-) of 208Pb

    International Nuclear Information System (INIS)

    Goutte, Dominique.

    1979-10-01

    A determination was made of an angular distribution of the inelastic scattering cross-sections of electrons by the first excited state (Jsup(π)=3 - , E*=2.615 MeV) of 208 Pb. The statistical accuracy of previous data was improved between 2 and 2.7 fm -1 and the area of transfer of moment was extended up to qsub(max)=3.4 fm -1 . Cross-sections up to 10 -37 cm 2 /sr were determined whereas the limit reached before was 7x10 -35 cm 2 /sr. In order to determine the transition charge density, it was put into parametric form by a Fourier-Bessel development using 12 coefficients and an 11 fm cut-off radius. The model error inherent in this method is reduced to an insignificant contribution by the sufficiently high transfer of moment. The experimental transition charge density was compared with the theoretical predictions [fr

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

    OpenAIRE

    Harbola, Manoj K.; Samal, Prasanjit

    2004-01-01

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

  10. 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.

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

    International Nuclear Information System (INIS)

    Flores, Jesus R.; Gonzalez, Adan B.

    2008-01-01

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

  12. In-beam study of excited states in 68 As

    International Nuclear Information System (INIS)

    Badica, T.; Popa, G.; Popescu, I.; Scantei, N.

    1994-01-01

    As a continuation of our study of odd-odd 68 As nucleus, neutron gamma-gamma coincidence spectra were measured with two Ge(HP) γ-ray and a NE213 scintillation neutron detector. The levels were populated in the 54 Fe( 16 O, p n) reaction. On the basis of the n-γ and n-γγ coincidences a new, more complete level scheme has been established up to 3.2 MeV. Yield functions and angular distribution were used to extract information on spins and multipolarities of γ-transitions. Available level experimental parameters were compared with theoretical predictions of the parabolic rule. (Author)

  13. 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.

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

    Indian Academy of Sciences (India)

    otherwise, inclusion of excitation energy decreases the T1/2 values. ... penetrates the nuclear barrier and reaches scission configuration after running .... between the ground-state energy levels of the parent nuclei and the ground-state energy.

  15. Quantification of entanglement entropies for doubly excited resonance states in two-electron atomic systems

    International Nuclear Information System (INIS)

    Ho, Yew Kam; Lin, Chien-Hao

    2015-01-01

    In this work, we study the quantum entanglement for doubly excited resonance states in two-electron atomic systems such as the H - and Ps - ions and the He atom by using highly correlated Hylleraas type functions The resonance states are determined by calculation of density of resonance states with the stabilization method. The spatial (electron-electron orbital) entanglement entropies (linear and von Neumann) for the low-lying doubly excited states are quantified using the Schmidt-Slater decomposition method. (paper)

  16. Optimized RVB states of the 2-d antiferromagnet: ground state and excitation spectrum

    Science.gov (United States)

    Chen, Yong-Cong; Xiu, Kai

    1993-10-01

    The Gutzwiller projection of the Schwinger-boson mean-field solution of the 2-d spin- {1}/{2} antiferromagnet in a square lattice is shown to produce the optimized, parameter-free RVB ground state. We get -0.6688 J/site and 0.311 for the energy and the staggered magnetization. The spectrum of the excited states is found to be linear and gapless near k≅0. Our calculation suggests, upon breaking of the rotational symmetry, ɛ k≅2JZ r1-γ 2k with Zr≅1.23.

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

    Science.gov (United States)

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

    2018-03-06

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

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

    International Nuclear Information System (INIS)

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

    1990-01-01

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

  19. Doubly excited states of the LiI isoelectronic sequence

    International Nuclear Information System (INIS)

    To, K.X.; Knystautas, E.; Drouin, R.; Berry, H.G.

    1978-01-01

    The term level diagrams of the doubly excited quartet systems of the LiI isoelectronic sequence up to Ne VIII are presented. The identifications are based on recent theoretical and experimental work which suggest a revision particularly of the 2s3p/sup 4po/ terms. 11 references

  20. On the nature of highly vibrationally excited states of thiophosgene

    Indian Academy of Sciences (India)

    Understanding the nature of the highly excited molecu- lar eigenstates is equivalent to deciphering the mecha- nism of intramolecular vibrational energy redistribution. (IVR) occurring in the molecule.1 However, the assign- ment of eigenstates is far from simple. The existence of and interplay of several strong anharmonic ...

  1. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-01-01

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

  3. 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.

  4. 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

  5. Fluctuation effects in radiative capture to unstable final states: A test via the 89Y(rvec p,γ) reaction at Ep = 19.6 MeV

    International Nuclear Information System (INIS)

    Parker, W.E.; Chadwick, M.; Dietrich, F.S.

    1994-11-01

    The authors have developed an extended direct-semidirect (DSD) model for fast-nucleon capture to single-particle configurations that subsequently damp into the compound nucleus or (at sufficiently high excitation energies) escape into the continuum. The inclusion of final-state fluctuation effects is an important feature of this model. To test the model they have measured the spectra of gamma rays from approximately 10 MeV to the endpoint in the 89 Y(rvec P,γ) reaction with 19.6 MeV polarized protons from the TUNL tandem accelerator. Gamma spectra were measured with a pair of 25.4 cm x 25.4 cm anticoincidence-shielded NaI detectors at angles of 30 degree, 55 degree, 90 degree 125 degree and 150 degree with respect to the incident beam. The spectra show significant analyzing powers and forward peaking of the angular distributions. These features allow for the discrimination between compound processes and direct processes. Analyzing powers and fore-aft asymmetries were observed for gamma energies below those associated with direct-semidirect transitions to known bound final states. They have also performed Hauser-Feshbach calculations of the statistical component of the gamma emission, which dominates below approximately 15--16 MeV. The extended DSD model reproduces the spectral shapes and analyzing powers above this energy quite well. There is no evidence in the present reaction that additional mechanisms, such as multistep compound or multistep direct emission, are required

  6. "Inverted" Solvent Effect on Charge Transfer in the Excited State.

    Science.gov (United States)

    Nau; Pischel

    1999-10-04

    Faster in cyclohexane than in acetonitrile is the fluorescence quenching of the azoalkane 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) by amines and sulfides. Although this photoreaction is induced by charge transfer (CT; see picture) and exciplexes are formed, the increase in the dipole moment of the exciplex is not large enough to offset the solvent stabilization of the excited reactants, and an "inverted" solvent effect results.

  7. Experimental investigation of highly excited states of the 5,6He and 5,6Li nuclei in the (6Li, 7Be) and (6Li, 7Li) one-nucleon-pick-up reactions

    International Nuclear Information System (INIS)

    Sakuta, S.B.; Novatskij, B.G.; Stepanov, D.N.; Aleksandrov, D.V.; Glukhov, Yu.A.; Nikol'skij, E.Yu.

    2002-01-01

    ( 6 Li, 7 Be) and ( 6 Li, 7 Li) reactions on the 6 Li, 7 Li nuclei have been investigated in the angular range of 0-20 deg in laboratory system at the 93-MeV 6 Li energy. Besides low-lying states of 5,6 He and 5,6 Li nuclei, broad structures have been observed in the measured spectra close to the t( 3 He) + d and t( 3 He) + t threshold at excitation energies of 16.75 (3/2 + ) and ∼ 20 MeV ( 5 He), 16.66 (3/2 + ) and ∼ 20 MeV ( 5 Li), 14.0 and 25 MeV ( 6 He), and ∼ 20 MeV ( 6 Li). Angular distributions, which have been measured for transitions to the ground (0 + ) and exited states at E x =1.8 MeV (2 + ) and 14.0 MeV of the 6 He nucleus in the 7 Li( 6 Li, 7 Be) 6 He reaction, have been analyzed in the framework of the finite-range distorted-waves method assuming the 1p- and 1s-proton pick-up mechanism. It has been shown that ( 6 Li, 7 Be) and ( 6 Li, 7 Li) reactions predominately proceed by one-step pick-up mechanism and broad structures which are observed at high excitation energies should be considered as quasimolecular states of the t( 3 He) + d and t( 3 He) + t type [ru

  8. Study of the high lying states of 12C by inelastic scattering of hadrons

    International Nuclear Information System (INIS)

    Buenerd, M.; Martin, P.; Saintignon, P. de; Loiseaux, J.-M.

    1977-03-01

    Beams of 45MeV and 155MeV protons and 60MeV alphas have been used to investigate the high lying continuum of 12 C. Various multipolarities and strengths have been located between 15MeV and 30MeV excitation energy. Isovector E1 states have been located at excitation energies between 20 and 30MeV; E2 states at 15.3, 18.4MeV (T=0); E3 state at 21.65MeV (T=0); E4 state at 19.6MeV (T=0); M2 state at 19.2MeV (T=1). The results are analyzed in terms of both collective and microscopic model calculations

  9. 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

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

    International Nuclear Information System (INIS)

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

    1988-01-01

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

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  12. 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.

  13. 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

  14. Excitation functions of deuteron induced nuclear reactions on natMo up to 21 MeV. An alternative route for the production of 99mTc and 99Mo

    International Nuclear Information System (INIS)

    Sonck, M.; Hermanne, A.; Takacs, S.; Szelecsenyi, F.; Tarkanyi, F.

    1999-01-01

    Cross sections of deuteron induced nuclear reactions on natural molybdenum have been studied in the frame of a systematic investigation of charged particle induced nuclear reactions on metals for different applications. The excitation functions of 92m,95 Nb-, 93,94g,94m,95g,95m,96,99m Tc- and 99 Mo were measured up to 21 MeV deuteron energy by using stacked foil technique and activation method. The goal of this work was to study the production possibility of the medical important 94m,99m Tc- and 99 Mo-nuclides. Production of 99m Tc and 99 Mo is of importance for their use in nuclear medicine, whereas 94m Tc is of interest regarding quantification of kinetics of well-established 99m Tc-radiopharmaceuticals. The production possibilities of 99m Tc and 99 Mo above 20 MeV deuteron energies up to 50 MeV were estimated and was found that beside the proton induced reactions the deuteron induced reactions on enriched molybdenum target are very promising. (author)

  15. 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.

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

    International Nuclear Information System (INIS)

    Sparks, R.J.

    1976-01-01

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

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

    International Nuclear Information System (INIS)

    Johnson, Matthew P.; Zia, Ahmad; Horton, Peter; Ruban, Alexander V.

    2010-01-01

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

  18. 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.

  19. Hydrogenlike nitrogen ions collision with helium into excited states

    International Nuclear Information System (INIS)

    Pan Guangyan; Yang Feng; Li Dawan; Xu Qian; Liu Huiping; Zhao Mengchun

    1991-01-01

    The emission spectra have been measured in collisions between N 6+ and He using the LHT-30 VUV Monochromator. The wavelength range is 10 nm-80 nm, the energy of N 6+ ions is 90 keV, the current of ion beam in the collision region is about 10 μA. Recently, the authors have investigated the electron capture processes and incident ions excitation in the velocity of N 6+ ions about 0.5 atomic unit. The emission spectrum of N V, N VI and N VII liens is given in collisions of N 6+ with He at 90 keV of ions energy

  20. Radially excited states of η{sub c}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hui; Yan, Zhaozhao; Ping, Jialun [Nanjing Normal University, Department of Physics, Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems, Nanjing (China)

    2015-05-15

    In the framework of chiral quark model, the mass spectrum of η{sub c}(ns) (n = 1,.., 6) is studied with Gaussian expansion method. With the wave functions obtained in the study of the mass spectrum, the open flavor two-body strong decay widths are calculated by using the {sup 3}P{sub 0} model. The results show that the masses of η{sub c}(1S) and η{sub c}(2S) are consistent with the experimental data. The explanation of X(3940) as η{sub c}(3S) is possible because the decay width of η{sub c}(3S) is in the range of the experimental value of X(3940). Although the mass of X(4160) is about 110 MeV less than that of η{sub c}(4S) and the decay width of X(4160) is much larger than that of η{sub c}(4S), the assignment of X(4160) as η{sub c}(4S) cannot be excluded due to the large uncertainty of the experimental decay width and the compatibility of the branching ratios of η{sub c}(4S) with that of X(4160), and the mass of η{sub c}(4S) can be shifted downwards by taking into account the coupling effect of the open charm channels. There are still no good candidates to η{sub c}(5S) and η{sub c}(6S). (orig.)

  1. Radially excited states of η{sub c}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hui; Yan, Zhaozhao; Ping, Jialun, E-mail: jlping@njnu.edu.cn [Department of Physics, Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems, Nanjing Normal University, 210023, Nanjing, People’s Republic of (China)

    2015-05-06

    In the framework of chiral quark model, the mass spectrum of η{sub c}(ns) (n=1,…,6) is studied with Gaussian expansion method. With the wave functions obtained in the study of the mass spectrum, the open flavor two-body strong decay widths are calculated by using the {sup 3}P{sub 0} model. The results show that the masses of η{sub c}(1S) and η{sub c}(2S) are consistent with the experimental data. The explanation of X(3940) as η{sub c}(3S) is possible because the decay width of η{sub c}(3S) is in the range of the experimental value of X(3940). Although the mass of X(4160) is about 110 MeV less than that of η{sub c}(4S) and the decay width of X(4160) is much larger than that of η{sub c}(4S), the assignment of X(4160) as η{sub c}(4S) cannot be excluded due to the large uncertainty of the experimental decay width and the compatibility of the branching ratios of η{sub c}(4S) with that of X(4160), and the mass of η{sub c}(4S) can be shifted downwards by taking into account the coupling effect of the open charm channels. There are still no good candidates to η{sub c}(5S) and η{sub c}(6S)

  2. Excited-state lifetime measurements: Linearization of the Foerster equation by the phase-plane method

    International Nuclear Information System (INIS)

    Love, J.C.; Demas, J.N.

    1983-01-01

    The Foerster equation describes excited-state decay curves involving resonance intermolecular energy transfer. A linearized solution based on the phase-plane method has been developed. The new method is quick, insensitive to the fitting region, accurate, and precise

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

    International Nuclear Information System (INIS)

    Klarsfeld, S.

    1976-11-01

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

  4. Metastable states in parametrically excited multimode Hamiltonian systems

    CERN Document Server

    Kirr, E

    2003-01-01

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

  5. 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.)

  6. Mechanistic photodecarboxylation of pyruvic acid: Excited-state proton transfer and three-state intersection

    Science.gov (United States)

    Chang, Xue-Ping; Fang, Qiu; Cui, Ganglong

    2014-10-01

    Photodissociation dynamics of pyruvic acid experimentally differs from that of commonly known ketones. We have employed the complete active space self-consistent field and its multi-state second-order perturbation methods to study its photodissociation mechanism in the S0, T1, and S1 states. We have uncovered four nonadiabatic photodecarboxylation paths. (i) The S1 system relaxes via an excited-state intramolecular proton transfer (ESIPT) to a hydrogen-transferred tautomer, near which an S1/S0 conical intersection funnels the S1 to S0 state. Then, some trajectories continue completing the decarboxylation reaction in the S0 state; the remaining trajectories via a reverse hydrogen transfer return to the S0 minimum, from which a thermal decarboxylation reaction occurs. (ii) Due to a small S1 -T1 energy gap and a large S1/T1 spin-orbit coupling, an efficient S1 → T1 intersystem crossing process happens again near this S1/S0 conical intersection. When decaying to T1 state, a direct photodecarboxylation proceeds. (iii) Prior to ESIPT, the S1 system first decays to the T1 state via an S1 → T1 intersystem crossing; then, the T1 system evolves to a hydrogen-transferred tautomer. Therefrom, an adiabatic T1 decarboxylation takes place due to a small barrier of 7.7 kcal/mol. (iv) Besides the aforementioned T1 ESIPT process, there also exists a comparable Norrish type I reaction in the T1 state, which forms the ground-state products of CH3CO and COOH. Finally, we have found that ESIPT plays an important role. It closes the S1-T1 and S1-S0 energy gaps, effecting an S1/T1/S0 three-state intersection region, and mediating nonadiabatic photodecarboxylation reactions of pyruvic acid.

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

    OpenAIRE

    Jiménez Molero, María Consuelo; Miranda Alonso, Miguel Ángel

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-03-21

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

  9. Statistical decay of dipole-excited states of Zr isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Gayer, Udo; Zweidinger, Markus; Beck, Tobias; Mertes, Laura; Pai, Haridas; Pietralla, Norbert; Ries, Philipp; Romig, Christopher; Werner, Volker [IKP, TU Darmstadt (Germany); Cooper, Nathan [University of Richmond, Richmond (United States); Isaak, Johann [EMMI, GSI, Darmstadt (Germany); FIAS, Frankfurt (Germany); Loeher, Bastian; Savran, Deniz [GSI, Darmstadt (Germany); Scheck, Marcus [School of Engineering, UWS, Paisley (United Kingdom); SUPA, Glasgow (United Kingdom); Tornow, Werner [Duke University, Durham (United States)

    2016-07-01

    Decay properties of electric dipole excitations below the neutron separation threshold of {sup 92,94,96}Zr have been determined in several (γ,γ') and (vector γ,γ') experiments at the Darmstadt High Intensity Photon Setup and the High-Intensity Gamma-Ray Source in Durham, USA. The model of statistical decay is used to guide an interpretation of this low-lying dipole strength which is frequently discussed to arise from the low-energy tail of the giant dipole resonance and potentially an additional resonance structure often referred to as the pygmy dipole resonance. The availability of three complete data sets in the Zr isotopic chain allowed for a precise test of these extrapolations to low energies using different models for the level density and the photon strength function. In the talk, data and calculations are presented, and the suitability of photon scattering data for this kind of analysis is discussed.

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

    Directory of Open Access Journals (Sweden)

    Sakai S.

    2013-03-01

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

  11. Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

    Science.gov (United States)

    Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

    2002-09-01

    Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

  12. Kinetic studies following state-selective laser excitation

    International Nuclear Information System (INIS)

    Keto, J.W.

    1991-01-01

    During the past year, we have made measurements of state-to-state energy transfer 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 of both excimer lasers and the infrared xenon laser; and they are a significant improvement in the precision of the known radiative lifetimes. 3 refs., 2 figs., 2 tabs

  13. 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.

  14. Study of the giant dipole resonance built on highly excited states in Sn and Dy nuclei

    International Nuclear Information System (INIS)

    Stolk, A.

    1988-01-01

    A study is presented of the giant dipole resonance built on highly excited states. The aim is to get more detailed information on the properties of the GDR and to use it as a tool for the investigation of nuclear structure at high excitation energy. The high energy γ-rays seen from the decay of excited state GDRs in heavy ion fusion reactions reflect the average properties of the states populated by the γ-emission. The measurements at different initial excitation energies of 114 Sn provide information on the nuclear level density near the particle separation energy at an average angular momentum of 10ℎ. The study of shape changes at very high spin in 152-156 Dy nuclei is presented. A theoretical model developed to describe fusion-evaporation reactions is presented. 149 refs.; 63 figs.; 13 tabs

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-03-15

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

  16. Charge-state distribution of MeV He ions scattered from the surface atoms

    International Nuclear Information System (INIS)

    Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko

    1993-01-01

    The charge-state distribution of 500-keV He ions scattered from a SnTe (001) surface has been investigated using a new technique of high-resolution high-energy ion scattering spectroscopy. The observed charge-state distribution of ions scattered from the topmost atomic layer coincides with that of ions scattered from the subsurface region and does not depend on the incident charge state but depends on the exit angle. The observed exit-angle dependence is explained by a model which includes the charge-exchange process with the valence electrons in the tail of the electron distribution at the surface. (author)

  17. Dynamics of Excited State Proton Transfer in Nitro Substituted 10-Hydroxybenzo[h]quinolines

    DEFF Research Database (Denmark)

    Marciak, H; Hristova, S.; Deneva, V

    2017-01-01

    The ground state tautomerism and excited state intramolecular proton transfer (ESIPT) of 10-hydroxybenzo[h]quinoline (HBQ) and its nitro derivatives, 7-nitrobenzo[h]quinolin-10-ol (2) and 7,9-dinitrobenzo[h]quinolin-10-ol (3), have been studied in acetonitrile using steady state as well as time d...

  18. EPR studies of excited state exchange and crystal-field effects in rare earth compounds

    International Nuclear Information System (INIS)

    Huang, C.Y.; Sugawara, K.; Cooper, B.R.

    1976-01-01

    EPR in excited crystal-field states of Tm 3+ , Pr 3+ , and Tb 3+ in singlet-ground-state systems and in the excited state of Ce 3+ in CeP are reviewed. Because one is looking at a crystal-field excited state resonance, the exchange, even if isotropic, does not act as a secular perturbation. This means that one obtains different effects and has access to more information about the dynamic effects of exchange than in conventional paramagnetic resonance experiments. The Tm and Pr monopnictides studied are paramagnetic at all temperatures. The most striking feature of the behavior of the GAMMA 5 /sup (2)/ EPR in the Tm compounds is the presence of an anomalous maximum in the temperature dependence of the g-factor. The relationship of this effect to anisotropic exchange is discussed. The results of the EPR of the excited GAMMA 5 /sup (2)/ level of Tb 3 + (g-factor becomes very large at T/sub N/ in antiferromagnetic TbX (X = P, As, Sb) and that of the excited GAMMA 8 level of Ce 3+ in antiferromagnetic CeP will also be reported. For sufficient dilution of the Tb 3+ in the terbium monopnictides, the systems become paramagnetic (Van Vleck paramagnets) down to 0 0 K. The Tb 3+ excited state resonance EPR in Tb/sub 0.1/ La/sub 0.9/P was studied as an example of behavior in such systems. 10 fig

  19. Structure of the excited states of {sup 11}Be reached through the reaction d({sup 10}Be,p){sup 11}Be; Structure des etats du {sup 11}Be excites par la reaction d({sup 10}Be,p){sup 11}Be

    Energy Technology Data Exchange (ETDEWEB)

    Delaunay, F

    2003-10-01

    The one-neutron transfer reaction d({sup 10}Be,p){sup 11}Be has been studied at 32 A.MeV at GANIL with a {sup 10}Be secondary beam. Protons were detected by the silicon strip array MUST. The ground state and excited states of {sup 11}Be at 0.32, 1.78 and 3.41 MeV were populated, demonstrating the feasibility of transfer reactions induced by radioactive beams leading to bound and unbound states. A DWBA (distorted wave born approximation) analysis indicates for the 3.41 MeV state spin and parity 3/2{sup +} or 5/2{sup +} and a spectroscopic factor of 0.18 or 0.11, respectively. A broad structure centered at 10 MeV is also observed and corresponds to transfer to the 1d sub-shells. If one assumes that only the 1d3/2 orbital contributes to this structure, the splitting of the 1d neutron states in {sup 11}Be is estimated to be 6.3 MeV. Using a 2-particle-RPA (random phase approximation) model, we have shown that neutron-neutron correlations play an important role in the inversion between the 2s1/2 and 1p1/2 neutron states in {sup 11}Be. (author)

  20. Structure of high excited nuclear states and elastic scattering

    International Nuclear Information System (INIS)

    Zhivopistsev, F.A.; Rzhevskij, E.S.

    1979-01-01

    An approach to a unified description of nuclear reactions and nuclear structure based on the formalism of the quantum Green functions and on the ideas of the theory of finite Fermi systems has been formulated. New structural vertices are introduced, which are responsible for nucleon collectivization in an atomic nucleus and for the excitation of many-phonon, quasideuteron, quasitriton and other configurations. The vertices define both the processes of particle scattering by atomic nuclei (T matrix and optical potentials) and the nuclear structure (secular equations and wave functions). The vertices are determined from the equations with effective many-particle forces Fsub(nm)sup(c). In their turn the Fsub(nm)sup(c) forces are either determined from a comparison of theory and experiment, or calculated from the equations with more fundamental nucleon-nucleon forces in a nucleus. The effective forces Fsub(nm)sup(c) are more universal than the constants of the theory of finite Fermi-systems, which extends the boundaries of applicability of the particle-hole formalism in the description of nuclear processes. In this approach the traditional methods of description of the nuclear structure, based on particular models of hamiltonian and wave functions, acquire a natural interpretation

  1. Evaluation of the excitation function of the 238U(n,2n)237U reaction for neutron energies from threshold to 19 MeV

    International Nuclear Information System (INIS)

    Kornilov, N.V.; Vinogradov, V.N.; Gay, E.V.; Rabotnov, N.S.; Salnikov, O.A.; Raics, P.; Daroczy, S.; Nagy, S.; Csikai, J.

    1983-01-01

    Experimental results for the 238 U(n,2n) reaction were collected from the literature and evaluated. The normalisation of the measured cross sections was carried out using recent values for the cross sections of standard monitor reactions as well as new nuclear decay data. The evaluated excitation function was then obtained by the Pade-approximation. (Auth.)

  2. Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2 '-bipyridine)(CN)4]2-

    DEFF Research Database (Denmark)

    Kjær, Kasper Skov; Kunnus, Kristjan; Harlang, Tobias C. B.

    2018-01-01

    The excited state dynamics of solvated [Fe(bpy)(CN)4]2-, where bpy = 2,2'-bipyridine, show significant sensitivity to the solvent Lewis acidity. Using a combination of optical absorption and X-ray emission transient spectroscopies, we have previously shown that the metal to ligand charge transfer...... the MLCT excited state relaxation dynamics of [Fe(bpy)(CN)4]2- in water, a strong Lewis acid solvent. The charge-transfer excited state is now found to decay in less than 100 femtoseconds, forming a quasi-stable metal centered excited state with a 13 picosecond lifetime. We find that this MC excited state...... developed for solar applications....

  3. Multiphoton Rabi oscillations between highly excited Stark states of potassium

    International Nuclear Information System (INIS)

    He Yonglin

    2011-01-01

    We have applied a nonperturbative resonant theory to study the Rabi frequency of microwave multiphoton transitions between two Rydberg states of potassium in a static electric field. The Stark electric dipole moments used to calculate the Rabi frequency are determined by the Stark states' wave functions, which are obtained by the diagonalization method. The frequencies of the Rabi oscillations are in good agreement with either experimental ones or ones calculated by the time-dependent close-coupling method and the Floquet theory. Furthermore, we are able to show that the size of avoided crossings between the (n+2)s and (n,3) states can be predicted from the Stark electric dipole moment and the difference of the two Stark states' energy at a given resonance.

  4. 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

  5. Effect of excited states on thermonuclear reaction rates

    International Nuclear Information System (INIS)

    Sargood, D.G.

    1983-01-01

    Values of the ratio of the thermonuclear reaction rate of a reaction, with target nuclei in a thermal distribution of energy states, to the reaction rate with all target nuclei in their ground states are tabulated for neutron, proton and α-particle induced reactions on the naturally occurring nuclei from 20 Ne to 70 Zn, at temperatures of 1, 2, 3.5 and 5x10 9 K. The ratios are determined from reaction rates based on statistical model cross sections

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  7. 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.

  8. 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...

  9. Exciplex formation and excited state deactivation of difluoroborondipyrromethene (Bodipy) dyads.

    Science.gov (United States)

    Benniston, Andrew C; Copley, Graeme; Lemmetyinen, Helge; Tkachenko, Nikolai V

    2010-06-07

    Two series of geometrically-related dyads are discussed based on the difluoroborondipyrromethene (Bodipy) unit, and incorporating covalently attached hydroquinone/quinone groups. These units are anchored directly, or via a phenylene spacer, to the Bodipy core at the meso position in one series (BD-MHQ, BD-MQ, BD-MPHQ, BD-MPQ), but for the second series the attachment site is the 2-position (BD-SHQ, BD-SQ, BD-SPHQ, BD-SPQ). The compounds show various levels of fluorescence depending on the oxidation state of the appended group and the substitution pattern. In non-polar solvents such as toluene, diethyl ether and dichlorobenzene, the S(1) state deactivation of the Bodipy unit in BD-SPQ and BD-MPQ is dominated by (1, 3)exciplex formation, which has not been reported for Bodipy derivatives so far. In the latter molecule, the decay of the exciplex is divided between population of the Bodipy triplet state (13 %-21 %) and ground state reformation. This partitioning is not seen for the side-on substituted derivative, BD-SPQ, and only ground state reformation is observed following decay of the exciplex. This difference in behavior is explained by the radical-pair inter-system-crossing mechanism, which more effectively operates in BD-MPQ because of the orthogonality of the donor-acceptor units. In the more polar solvent CH(3)CN all the quinone derivatives show fast formation of the charge-separated state (k(CS)) followed by slower charge recombination (k(CR)). The ratio k(CS)/k(CR)

  10. 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.

  11. 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

  12. 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

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

    Science.gov (United States)

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

    2008-09-01

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

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

    DEFF Research Database (Denmark)

    Birkedal, Dan

    2000-01-01

    The coherent interaction of light and the electronic states of semiconductors near the fundamental bandgap has been a very active topic of research since the advent of ultrafast lasers. While many of the ultrafast nonlinear properties of semiconductors have been well explained within mean field...

  15. On the nature of highly vibrationally excited states of thiophosgene

    Indian Academy of Sciences (India)

    SCCl2) is made in order to gain insights into some of the experimental observations and spectral features. The states analysed here lie in a spectrally complex region where strong mode mixings are expected due to the overlap of several ...

  16. Mechanistic photodecarboxylation of pyruvic acid: Excited-state proton transfer and three-state intersection

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Xue-Ping; Fang, Qiu, E-mail: fangqiu917@bnu.edu.cn; Cui, Ganglong, E-mail: ganglong.cui@bnu.edu.cn [Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875 (China)

    2014-10-21

    Photodissociation dynamics of pyruvic acid experimentally differs from that of commonly known ketones. We have employed the complete active space self-consistent field and its multi-state second-order perturbation methods to study its photodissociation mechanism in the S{sub 0}, T{sub 1}, and S{sub 1} states. We have uncovered four nonadiabatic photodecarboxylation paths. (i) The S{sub 1} system relaxes via an excited-state intramolecular proton transfer (ESIPT) to a hydrogen-transferred tautomer, near which an S{sub 1}/S{sub 0} conical intersection funnels the S{sub 1} to S{sub 0} state. Then, some trajectories continue completing the decarboxylation reaction in the S{sub 0} state; the remaining trajectories via a reverse hydrogen transfer return to the S{sub 0} minimum, from which a thermal decarboxylation reaction occurs. (ii) Due to a small S{sub 1} −T{sub 1} energy gap and a large S{sub 1}/T{sub 1} spin-orbit coupling, an efficient S{sub 1} → T{sub 1} intersystem crossing process happens again near this S{sub 1}/S{sub 0} conical intersection. When decaying to T{sub 1} state, a direct photodecarboxylation proceeds. (iii) Prior to ESIPT, the S{sub 1} system first decays to the T{sub 1} state via an S{sub 1} → T{sub 1} intersystem crossing; then, the T{sub 1} system evolves to a hydrogen-transferred tautomer. Therefrom, an adiabatic T{sub 1} decarboxylation takes place due to a small barrier of 7.7 kcal/mol. (iv) Besides the aforementioned T{sub 1} ESIPT process, there also exists a comparable Norrish type I reaction in the T{sub 1} state, which forms the ground-state products of CH{sub 3}CO and COOH. Finally, we have found that ESIPT plays an important role. It closes the S{sub 1}-T{sub 1} and S{sub 1}-S{sub 0} energy gaps, effecting an S{sub 1}/T{sub 1}/S{sub 0} three-state intersection region, and mediating nonadiabatic photodecarboxylation reactions of pyruvic acid.

  17. Theory of g-shift and linewidth in CeP excited state EPR

    International Nuclear Information System (INIS)

    Yang, D.; Cooper, B.R.; Huang, C.Y.; Sugawara, K.

    1979-01-01

    The Mori-Zwanzig memory function formalism was used to analyze the observed excited state EPR mode in CeP. The mixing of the Zeeman-split crystal-field excitation by the exchange, particularly among those with degenerate frequencies, yields a normal mode determining the observed low-frequency spectrum. This is illustrated by calculation with Heisenberg exchange which yields a single peak in qualitative agreement with the experiment

  18. Localized excitations in nonlinear complex systems current state of the art and future perspectives

    CERN Document Server

    Cuevas-Maraver, Jesús; Frantzeskakis, Dimitri; Karachalios, Nikos; Kevrekidis, Panayotis; Palmero-Acebedo, Faustino

    2014-01-01

    The study of nonlinear localized excitations is a long-standing challenge for research in basic and applied science, as well as engineering, due to their importance in understanding and predicting phenomena arising in nonlinear and complex systems, but also due to their potential for the development and design of novel applications. This volume is a compilation of chapters representing the current state-of-the-art on the field of localized excitations and their role in the dynamics of complex physical systems.

  19. Elemental-composition analysis by the measurement of characteristic X-ray radiation excited by the 1-3.5 MeV proton beam

    International Nuclear Information System (INIS)

    Braziewicz, E.; Braziewicz, J.; Lyu Zaj Ik; Osetinskij, G.M.; Purehv, A.

    1981-01-01

    A method is reported for the determination of elemental composition of thin and thick targets from biological, geological and semiconducting materials. The composition is investigated by measuring the characteristic X-ray radiation after the targets were excited by a beam of protons from the electrostatic accelerator (JINR, Dubna). The accuracy of determination for thin targets was within the interval 3-5x10 -9 g/g, for thick targets - 5x10 -7 g/g [ru

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

    Science.gov (United States)

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

    2014-10-13

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

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

    Science.gov (United States)

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

    2017-06-22

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

  2. 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...

  3. Luminescent materials: probing the excited state of emission centers by spectroscopic methods

    International Nuclear Information System (INIS)

    Mihóková, E; Nikl, M

    2015-01-01

    We review recent methods employed to study the excited state of rare-earth centers in various luminescent and scintillating materials. The focus is on processes that help determine localization of the excited state within the material band gap, namely photoionization and thermally stimulated ionization. Then the tunneling process between the luminescence center and the trapping state is addressed. We describe the experimental implementation of methods recently developed to study these processes. We report theoretical models helping the data interpretation. We also present application to currently investigated materials. (topical review)

  4. Antibonding intermediate state in the theory of vibrational excitation of diatomic molecules by slow electrons

    International Nuclear Information System (INIS)

    Kazanskii, A.K.

    1982-01-01

    An exactly solvable model is constructed for the description of the processes that take place when a slow electron collides with a diatomic molecule (vibrational excitation, associative detachment, and dissociative attachment). As a particular model of the variant, the case of an antibonding (virtual) state of an intermediate state is considered, and a term of this state is parametrized in a very simple manner. The vibrational excitation and dissociative attachment are calculated for a system corresponding to the HCl molecule. The results are in good qualitative agreement with experiment

  5. 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)

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

    Directory of Open Access Journals (Sweden)

    Chien-Hao Lin

    2015-09-01

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

  7. New measurements of excitation functions of {sup 186}W(p,x) nuclear reactions up to 65 MeV. Production of a {sup 178}W/{sup 178m}Ta generator

    Energy Technology Data Exchange (ETDEWEB)

    Tárkányi, F.; Ditrói, F.; Takács, S. [Institute of Nuclear Research (ATOMKI), Debrecen (Hungary); Hermanne, A., E-mail: aherman@vub.ac.be [Cyclotron Department, Vrije Universiteit Brussel, (VUB), Brussels (Belgium)

    2017-01-15

    New experimental excitation functions for proton induced reactions on {sup nat}W are presented in the 32–65 MeV energy range. The cross-sections for {sup nat}W(p,xn){sup 186,184m,184g,183,} {sup 182m,182g,181}Re, {sup nat}W(p,x){sup 178}W{sup ,} {sup nat}W(p,x){sup 183,182,} {sup 180m,} {sup 177,176,175}Ta, {sup 175}Hf and {sup 177}Lu were measured via an activation method by using a stacked-foil irradiation technique and high resolution gamma-ray spectroscopy. The results were compared with predicted values obtained with the nuclear reaction code TALYS (results taken from the TENDL 2014 and TENDL 2015 on-line libraries). Production routes of the medically relevant radionuclides {sup 186}Re, the {sup 178}W → {sup 178}Ta generator and {sup 181}W are discussed.

  8. Coupled state analysis of electron excitations in asymmetric collision systems

    International Nuclear Information System (INIS)

    Mehler, G.; Reus, T. de; Mueller, U.; Reinhardt, J.; Mueller, B.; Greiner, W.; Soff, G.

    1985-01-01

    A coupled channel formalism is presented, using relativistic basis states of the target atom. Screening effects are incorporated by means of an effective potential of Hartree-Fock-Slater type. Relativistic wave packets are employed for the description of the continuum. The impact parameter dependence of the K-hole production in p-Ag collisions is calculated, including quadrupole contributions of the projectile Coulomb potential. The results are compared with experimental data. (orig.)

  9. Properties of the Excited States of Molecular Ions.

    Science.gov (United States)

    1981-04-13

    FIg. 1). techniques have beest applied to the study of quartet states of Oi. The four potential curves most relevant Guyon et al., using a synchrotron...8217 a’ a a C ’U ~ ~ ~ ~ ~ ~ ~ 2 2,~ C a ’I C~- C ’ 𔃺 𔃺 𔃺 ’ ’ C- ~ C-E-38- ’- u A() A09a 265 SRI INTERNATIONAL 14FNLO PARK CA MOLECULAR PHYSICS LAB F

  10. Formation and de-excitation of hot nuclei in reactions induced by proton beams (475 MeV and 2 GeV) and {sup 3}He beam (2 GeV); Formation et desexcitation des noyaux chauds dans les reactions induites par des faisceaux de protons (475 MeV et 2 GeV) et d`{sup 3}He(2 GeV)

    Energy Technology Data Exchange (ETDEWEB)

    Ledoux, X.

    1995-04-01

    We are studying the formation and the de-excitation of hot nuclei created in reactions induced by light high energy projectiles. These reactions, described in a two step model: an intranuclear cascade followed by an evaporation phase, produce nuclei in which the collective modes (compression, rotation, deformation) are weakly excited. By measuring the neutron multiplicities, event by event with ORION, and the light charged particle energies and multiplicities one can evaluate the excitation energy distribution of the nuclei. At the same time, theoretical simulations are carried out using the intranuclear cascade code developed by J. Cugnon and the statistical de-excitation code GEMINI. The good agreement with experimental results indicate that 10% of the p-nucleus interactions lead to temperatures greater than 5 MeV. The observation of the fission of a nucleus with a temperature close to 5 MeV shows that the nucleus behaves as a set of bound nucleons and, that the temperature stability limit is not yet reached. The observed decline of fission probability at high excitation energies is most likely to be correlated to the appearance of an other de-excitation process (evaporation residues emission or multifragmentation) which could not be experimentally detected. Finally, in the last chapter, we briefly present the principle of transmutation for long-lived nuclear waste with a proton accelerator and underline the interest of the present work in such studies. (author). 54 refs., 80 figs., 13 tabs.

  11. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-21

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

  13. Remarkable solvent-dependent excited-state chirality : A molecular modulator of circularly polarized luminescence

    NARCIS (Netherlands)

    van Delden, Richard A.; Huck, N.P.M.; Piet, J.J.; Warman, J.M.; Meskers, S.C.J.; Dekkers, H.P J M; Feringa, B.L.

    2003-01-01

    The photochemical control of ground- and excited-state chirality of (M)-cis-(1) and (P)-trans(2)-2-nitro-7-(dimethylamino)-9-(2',3'-dihydro-1'H-naphtho[2,1-b]-thiopyran-1'-ylidene)-9H-thioxanthene is described. It is shown that while ground state chirality can be controlled photochemically by

  14. Remarkable solvent-dependent excited-state chirality : a molecular modulator of circularly polarized luminescence

    NARCIS (Netherlands)

    Delden, van R.A.; Huck, H.P.M.; Piet, J.J.; Warman, J.M.; Meskers, S.C.J.; Dekkers, H.P.J.M.; Feringa, B.L.

    2003-01-01

    The photochemical control of ground- and excited-state chirality of (M)-cis-(1) and (P)-trans-(2)-2-nitro-7-(dimethylamino)-9-(2',3' -dihydro-1'H-naphtho[2,1-b]-thiopyran-1'-ylidene)-9H-thioxanthene is described. It is shown that while ground state chirality can be controlled photochemically by

  15. Substituent effects on the excited states of phenyl-capped phenylene vinylene tetramers

    NARCIS (Netherlands)

    Candeias, L.P.; Gelinck, G.H.; Piet, J.J.; Piris, J.; Wegewijs, B.; Peeters, E.; Wildeman, J.; Hadziioannou, G.; Müllen, K.

    2001-01-01

    The singlet and triplet excited states of phenyl-capped tetramers of phenylene vinylene with different alkyl, alkoxy or cyano substituents, were investigated in benzene solution. The lowest singlet states were studied by laser flash-photolysis with time-resolved microwave conductivity and

  16. A dispersive optical model for n + 120Sn from -15 to +80 MeV and properties of neutron single-particle and single-hole states

    International Nuclear Information System (INIS)

    Chen Zemin; Walter, R L; Tornow, W; Weisel, G J; Howell, C R

    2004-01-01

    Data for σ(θ) and A y (θ) previously obtained at the Triangle Universities Nuclear Laboratory for 120 Sn(n, n) are combined with other measurements of σ(θ) and A y (θ) to create an elastic-scattering database from 9.9 to 24 MeV. In addition, relatively recent high-accuracy measurements of the neutron total cross section σ T for Sn from 5 to 80 MeV are combined with earlier σ T data to form a detailed σ T database from 0.24 to 80 MeV. All of these data are analysed in the framework of a dispersive optical model (DOM). The DOM is extended to negative energies to investigate properties of single-particle and single-hole bound states. The DOM also is used in calculations of compound-nucleus contributions to σ(θ), so that DOM predictions can be compared to σ(θ) measurements. Excellent agreement is obtained for the entire set of scattering data from 0.4 to 24 MeV, and for σ T values from 0.05 to 80 MeV. Calculations of bound-state quantities are compared to values derived from experiment for energies down to -15 MeV. Reasonable agreement for the binding energies is achieved, while the predicted spectroscopic factors disagree somewhat with the values found in stripping and pickup experiments. Finally, the DOM is modified to investigate two features (volume absorption that is asymmetric about the Fermi energy and zero absorption in the vicinity of the Fermi energy) that have been ignored in many DOM models. These modifications have little effect on the agreement of the calculations with the scattering data or with the bound-state quantities

  17. A dispersive optical model for n + {sup 120}Sn from -15 to +80 MeV and properties of neutron single-particle and single-hole states

    Energy Technology Data Exchange (ETDEWEB)

    Chen Zemin [Department of Physics, Duke University and Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States); Walter, R L [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); Weisel, G J [Department of Physics, Duke University and Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States); Howell, C R [Department of Physics, Duke University and Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States)

    2004-12-01

    Data for {sigma}({theta}) and A{sub y}({theta}) previously obtained at the Triangle Universities Nuclear Laboratory for {sup 120}Sn(n, n) are combined with other measurements of {sigma}({theta}) and A{sub y}({theta}) to create an elastic-scattering database from 9.9 to 24 MeV. In addition, relatively recent high-accuracy measurements of the neutron total cross section {sigma}{sub T} for Sn from 5 to 80 MeV are combined with earlier {sigma}{sub T} data to form a detailed {sigma}{sub T} database from 0.24 to 80 MeV. All of these data are analysed in the framework of a dispersive optical model (DOM). The DOM is extended to negative energies to investigate properties of single-particle and single-hole bound states. The DOM also is used in calculations of compound-nucleus contributions to {sigma}({theta}), so that DOM predictions can be compared to {sigma}({theta}) measurements. Excellent agreement is obtained for the entire set of scattering data from 0.4 to 24 MeV, and for {sigma}{sub T} values from 0.05 to 80 MeV. Calculations of bound-state quantities are compared to values derived from experiment for energies down to -15 MeV. Reasonable agreement for the binding energies is achieved, while the predicted spectroscopic factors disagree somewhat with the values found in stripping and pickup experiments. Finally, the DOM is modified to investigate two features (volume absorption that is asymmetric about the Fermi energy and zero absorption in the vicinity of the Fermi energy) that have been ignored in many DOM models. These modifications have little effect on the agreement of the calculations with the scattering data or with the bound-state quantities.

  18. Production of excited beauty states in Z decays

    CERN Document Server

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

    1996-01-01

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

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

    Science.gov (United States)

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

    2010-02-26

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

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

    Science.gov (United States)

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

    2018-04-17

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

  1. General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

    Science.gov (United States)

    Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

    2013-11-21

    We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

  2. 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 .

  3. Structural Influence on Excited State Dynamics in Simple Amines

    DEFF Research Database (Denmark)

    Klein, Liv Bærenholdt

    experiments with calculations, provides new insight into the nature of the internal conversion processes that mediate the dynamical evolution between Rydberg states, and how structural variations in simple amine system have a large impact on the non-adiabatic processes. The experimental method of choice...... is femtosecond time-resolved photoelectron velocity map imaging (VMI), which is a newtechnique in the Copenhagen lab. The design, building and implementation of the VMI spectrometer has been a very substantial part of the thesis work. This techniques oers enhanced information content in the form of ecient...... and sensitive collection of photoelectron spectra. In particular, the angleresolved data available from the VMI approach provides highly detailed mechanistic insight about the relaxation pathways. One striking novel nding is that for tertiary amines, the critical factor driving the non-adiabatic dynamics...

  4. An intramolecular charge transfer state of carbonyl carotenoids: implications for excited state dynamics of apo-carotenals and retinal

    Czech Academy of Sciences Publication Activity Database

    Polívka, Tomáš; Kaligotla, S.; Chábera, P.; Frank, H.A.

    2011-01-01

    Roč. 13, č. 22 (2011), s. 1463-9076 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoid * retinal * excited-state dynamics * charge-transfer state Subject RIV: BO - Biophysics Impact factor: 3.573, year: 2011

  5. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1980-01-01

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

  7. Some features of excited states density matrix calculation and their pairing relations in conjugated systems

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.

    1982-01-01

    Direct PPP-type calculations of self-consistent (SC) density matrices for excited states are described and the corresponding 'thawn' molecular orbitals (MO) are discussed. Special attention is addressed to particular solutions arising in conjugated systems of a certain symmetry, and to their chemical implications. The U(2) and U(3) algebras are applied respectively to the 4-electron and 6-electron cases: a natural separation of excited states in different cases follows. A simple approach to the convergence problem for excited states is given. The complementarity relations, an alternative formulation of the pairing theorem valid for heteromolecules and non-alternant systems, allow some fruitful experimental applications. Together with the extended pairing relations shown here, they may help to rationalize general trends. (Author) [pt

  8. Pulsed radiation studies of carotenoid radicals and excited states

    International Nuclear Information System (INIS)

    Burke, M.

    2001-04-01

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

  9. Singlet versus Triplet Excited State Mediated Photoinduced Dehalogenation Reactions of Itraconazole in Acetonitrile and Aqueous Solutions.

    Science.gov (United States)

    Zhu, Ruixue; Li, Ming-de; Du, Lili; Phillips, David Lee

    2017-04-06

    Photoinduced dehalogenation of the antifungal drug itraconazole (ITR) in acetonitrile (ACN) and ACN/water mixed solutions was investigated using femtosecond and nanosecond time-resolved transient absorption (fs-TA and ns-TA, respectively) and nanosecond time-resolved resonance Raman spectroscopy (ns-TR 3 ) experiments. An excited resonance energy transfer is found to take place from the 4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-one part of the molecule to the 1,3-dichlorobenzene part of the molecule when ITR is excited by ultraviolet light. This photoexcitation is followed by a fast carbon-halogen bond cleavage that leads to the generation of radical intermediates via either triplet and/or singlet excited states. It is found that the singlet excited state-mediated carbon-halogen cleavage is the predominant dehalogenation process in ACN solvent, whereas a triplet state-mediated carbon-halogen cleavage prefers to occur in the ACN/water mixed solutions. The singlet-to-triplet energy gap is decreased in the ACN/water mixed solvents and this helps facilitate an intersystem crossing process, and thus, the carbon-halogen bond cleavage happens mostly through an excited triplet state in the aqueous solutions examined. The ns-TA and ns-TR 3 results also provide some evidence that radical intermediates are generated through a homolytic carbon-halogen bond cleavage via predominantly the singlet excited state pathway in ACN but via mainly the triplet state pathway in the aqueous solutions. In strong acidic solutions, protonation at the oxygen and/or nitrogen atoms of the 1,2,4-triazole-3-one group appears to hinder the dehalogenation reactions. This may offer the possibility that the phototoxicity of ITR due to the generation of aryl or halogen radicals can be reduced by protonation of certain moieties in suitably designed ITR halogen-containing derivatives.

  10. Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT

    International Nuclear Information System (INIS)

    Berardo, Enrico; Hu, Han-Shi; Van Dam, Hubertus J. J.; Shevlin, Stephen A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.

    2014-01-01

    We have investigated the description of excited state relaxation in naked and hydrated TiO 2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to be the inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. In conclusion, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO 2 nanoparticles is predicted to be associated with a large Stokes' shift

  11. Ultrafast excited state deactivation of doped porous anodic alumina membranes

    International Nuclear Information System (INIS)

    Makhal, Abhinandan; Sarkar, Soumik; Pal, Samir Kumar; Yan, Hongdan; Wulferding, Dirk; Cetin, Fatih; Lemmens, Peter

    2012-01-01

    Free-standing, bi-directionally permeable and ultra-thin anodic aluminum oxide (AAO) membranes establish attractive templates (host) for the synthesis of nano-dots and rods of various materials (guest). This is due to their chemical and structural integrity and high periodicity on length scales of 5–150 nm which are often used to host photoactive nano-materials for various device applications including dye-sensitized solar cells. In the present study, AAO membranes are synthesized by using electrochemical methods and a detailed structural characterization using FEG-SEM, XRD and TGA confirms the porosity and purity of the material. Defect-mediated photoluminescence quenching of the porous AAO membrane in the presence of an electron accepting guest organic molecule (benzoquinone) is studied by means of steady-state and picosecond/femtosecond-resolved luminescence measurements. Using time-resolved luminescence transients, we have also revealed light harvesting of complexes of porous alumina impregnated with inorganic quantum dots (Maple Red) or gold nanowires. Both the Förster resonance energy transfer and the nano-surface energy transfer techniques are employed to examine the observed quenching behavior as a function of the characteristic donor–acceptor distances. The experimental results will find their relevance in light harvesting devices based on AAOs combined with other materials involving a decisive energy/charge transfer dynamics. (paper)

  12. Ultrafast excited state deactivation of doped porous anodic alumina membranes

    Science.gov (United States)

    Makhal, Abhinandan; Sarkar, Soumik; Pal, Samir Kumar; Yan, Hongdan; Wulferding, Dirk; Cetin, Fatih; Lemmens, Peter

    2012-08-01

    Free-standing, bi-directionally permeable and ultra-thin anodic aluminum oxide (AAO) membranes establish attractive templates (host) for the synthesis of nano-dots and rods of various materials (guest). This is due to their chemical and structural integrity and high periodicity on length scales of 5-150 nm which are often used to host photoactive nano-materials for various device applications including dye-sensitized solar cells. In the present study, AAO membranes are synthesized by using electrochemical methods and a detailed structural characterization using FEG-SEM, XRD and TGA confirms the porosity and purity of the material. Defect-mediated photoluminescence quenching of the porous AAO membrane in the presence of an electron accepting guest organic molecule (benzoquinone) is studied by means of steady-state and picosecond/femtosecond-resolved luminescence measurements. Using time-resolved luminescence transients, we have also revealed light harvesting of complexes of porous alumina impregnated with inorganic quantum dots (Maple Red) or gold nanowires. Both the Förster resonance energy transfer and the nano-surface energy transfer techniques are employed to examine the observed quenching behavior as a function of the characteristic donor-acceptor distances. The experimental results will find their relevance in light harvesting devices based on AAOs combined with other materials involving a decisive energy/charge transfer dynamics.

  13. Ultrafast excited state deactivation of doped porous anodic alumina membranes

    Energy Technology Data Exchange (ETDEWEB)

    Makhal, Abhinandan; Sarkar, Soumik; Pal, Samir Kumar [Department of Chemical, Biological and Macromolecular Sciences, S N Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Kolkata 700 098 (India); Yan, Hongdan; Wulferding, Dirk; Cetin, Fatih; Lemmens, Peter [Institute for Condensed Matter Physics, TU Braunschweig, Mendelssohnstrasse 3, 38106 Braunschweig (Germany)

    2012-08-03

    Free-standing, bi-directionally permeable and ultra-thin anodic aluminum oxide (AAO) membranes establish attractive templates (host) for the synthesis of nano-dots and rods of various materials (guest). This is due to their chemical and structural integrity and high periodicity on length scales of 5-150 nm which are often used to host photoactive nano-materials for various device applications including dye-sensitized solar cells. In the present study, AAO membranes are synthesized by using electrochemical methods and a detailed structural characterization using FEG-SEM, XRD and TGA confirms the porosity and purity of the material. Defect-mediated photoluminescence quenching of the porous AAO membrane in the presence of an electron accepting guest organic molecule (benzoquinone) is studied by means of steady-state and picosecond/femtosecond-resolved luminescence measurements. Using time-resolved luminescence transients, we have also revealed light harvesting of complexes of porous alumina impregnated with inorganic quantum dots (Maple Red) or gold nanowires. Both the Foerster resonance energy transfer and the nano-surface energy transfer techniques are employed to examine the observed quenching behavior as a function of the characteristic donor-acceptor distances. The experimental results will find their relevance in light harvesting devices based on AAOs combined with other materials involving a decisive energy/charge transfer dynamics. (paper)

  14. 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

  15. Pulsed radiation studies of carotenoid radicals and excited states

    Energy Technology Data Exchange (ETDEWEB)

    Burke, M

    2001-04-01

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

  16. 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.

  17. Studies of isotopic effects in the excited electronic states of molecular systems

    International Nuclear Information System (INIS)

    1982-01-01

    Rare gas halogen (RGH) lasers serve as convenient tools for a range of photophysical processes which exhibit isotope effects. This document summarizes progress in the production of molecular systems in their electronic excited states with the aid of RGH lasers, and the various isotopic effects one can study under these conditions. We conclude that the basic physical mechanisms involved in the isotopically sensitive characteristics of excited molecular electronic states are sufficiently selective to be useful in both the detection and separation of many atomic materials

  18. Studies of the fluorescent excited state of impurities in ionic crystals

    International Nuclear Information System (INIS)

    Romestain, Robert

    1972-01-01

    The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO

  19. 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

  20. Resonance charge exchange between excited states in slow proton-hydrogen collisions

    International Nuclear Information System (INIS)

    Tolstikhina, Inga Yu.; Kato, Daiji

    2010-01-01

    The theory of resonance charge exchange in slow collisions of a proton with a hydrogen atom in the excited state is developed. It extends the Firsov-Demkov theory of resonance charge exchange to the case of degenerate initial and final states. The theory is illustrated by semiclassical and quantum calculations of charge exchange cross sections between states with n=2 in parabolic and spherical coordinates. The results are compared with existing close-coupling calculations.

  1. Convergence problems and energetic regions in π excited states of certain conjugated molecules

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.; Barros, H.G. de P.L. de.

    1980-01-01

    When calculating π bond orders of excited and superexcited states of conjugated molecules, difficulties arise in applying the variation method; besides, the convergence problems involved are well known. For pyridazine, chosen for discussion, 27 states are considered; the convergence problem is envisaged through two criteria in the choice of a parameter introduced in the compromise Hamiltonian. This convergence parameter is related to the variation method. There exist three particular solutions for bond orders, which divide the 27 states into energetical regions. (Author) [pt

  2. 3α-breakup-induced dynamical polarization potential of 12C at E/A >= 10 MeV

    International Nuclear Information System (INIS)

    Kubono, S.; Sugitani, M.; Tanaka, M.H.; Morita, K.; Sakuragi, Y.; Kamimura, M.

    1985-06-01

    The important role of the 3α-breakup processes to the optical potential of 12 C at E/A >= 10 MeV has been shown by observing directly the excitation of the 7.65-MeV 0 2 + state which breaks into 3α clusters. The 3α-breakup processes also explain well the previously unknown reduction factor for the exit-channel real potential for the same state. (author)

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

    Science.gov (United States)

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

    2012-08-21

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

  4. Shape resonances and the excitation of helium autoionising states by electrons in the 57-66 eV region

    International Nuclear Information System (INIS)

    Burgt, P.J.M. van der; Eck, J. van; Heideman, H.G.M.

    1986-01-01

    Optical excitation functions of singly excited helium states are presented, measured by detecting the yield of emitted photons as a function of the incident electron energy from 56 to 66 eV. Many structures are observed, which are caused by negative-ion resonances and by the decay of autoionising states followed by post-collision interaction. Some of the structures are interpreted as being caused by hitherto unknown shape resonances lying very close to the thresholds of a particular class of autoionising states. As these shape resonances almost exclusively decay to their respective parent (autoionising) states, thereby considerably enhancing the threshold excitation cross sections of these states, they can only be observed via the PCI effect on the excitation functions of (higher lying) singly excited states. Using the recently introduced supermultiplet classification for doubly excited states a selection rule for the near-threshold excitation of doubly excited states by electron impact is deduced from the measurements. Only states with large probabilities in the Wannier region of configuration space (where the two electrons are at nearly equal distances and on opposite sides of the nucleus) are strongly excited. It is pointed out that these states are precisely the states that can support the above mentioned shape resonances at their thresholds. (author)

  5. Nature of mixed symmetry 2+ states in 94Mo from high resolution electron and proton scattering and line shape of the first excited 1/2+ state in 9Be

    International Nuclear Information System (INIS)

    Burda, Oleksiy

    2007-07-01

    The present work contains two parts. The first one is devoted to the investigation of mixed-symmetry structure in 94 Mo and the second one to the astrophysical relevant line shape of the first excited 1/2 + state in 9 Be. In the first part of the thesis the nature of one- and two-phonon symmetric and mixed-symmetric 2 + states in 94 Mo is investigated with high-resolution inelastic electron and proton scattering experiments in a combined analysis. The (e,e') experiments were carried out at the 169 magnetic spectrometer at the S-DALINAC. Data were taken at a beam energy E e=70 MeV and scattering angles Θ e =93 -165 . In dispersion-matching mode an energy resolution Δ E =30-45 keV (full width at half maximum) was achieved. The (p,p') measurements were performed at iThemba LABS, South Africa, using a K600 magnetic spectrometer at a proton energy E p=200 MeV and scattering angles Θ p =4.5 -26 . Typical energy resolutions were Δ E ≅35 keV. The combined analysis reveals a dominant one-phonon structure of the transitions to the first and third 2 + states, as well as an isovector character of the transition to the one-phonon mixed-symmetric state within the valence shell. Quantitatively consistent estimates of the one-phonon admixtures are obtained from both experimental probes when two-step contributions to the proton scattering cross sections are taken into account. In the second part of the thesis the line shape of the first excited 1/2 + state in 9 Be is studied. Spectra of the 9 Be(e,e') reaction were measured at the S-DALINAC at an electron energy E e=73 MeV and scattering angles of 93 and 141 with high energy resolution up to excitation energies E x =8 MeV. The form factor of the first excited state has been extracted from the data. The astrophysical relevant 9 Be(γ,n) cross sections have been extracted from the (e,e') data. The resonance parameters of the first excited 1/2 + state in 9 Be are derived in a one-level R-matrix approximation. The deduced

  6. Nature of mixed symmetry 2{sup +} states in {sup 94}Mo from high resolution electron and proton scattering and line shape of the first excited 1/2{sup +} state in {sup 9}Be

    Energy Technology Data Exchange (ETDEWEB)

    Burda, Oleksiy

    2007-07-15

    The present work contains two parts. The first one is devoted to the investigation of mixed-symmetry structure in {sup 94}Mo and the second one to the astrophysical relevant line shape of the first excited 1/2{sup +} state in {sup 9}Be. In the first part of the thesis the nature of one- and two-phonon symmetric and mixed-symmetric 2{sup +} states in {sup 94}Mo is investigated with high-resolution inelastic electron and proton scattering experiments in a combined analysis. The (e,e') experiments were carried out at the 169 magnetic spectrometer at the S-DALINAC. Data were taken at a beam energy E e=70 MeV and scattering angles {theta}{sub e}=93 -165 . In dispersion-matching mode an energy resolution {delta}{sub E}=30-45 keV (full width at half maximum) was achieved. The (p,p') measurements were performed at iThemba LABS, South Africa, using a K600 magnetic spectrometer at a proton energy E p=200 MeV and scattering angles {theta}{sub p}=4.5 -26 . Typical energy resolutions were {delta}{sub E}{approx_equal}35 keV. The combined analysis reveals a dominant one-phonon structure of the transitions to the first and third 2{sup +} states, as well as an isovector character of the transition to the one-phonon mixed-symmetric state within the valence shell. Quantitatively consistent estimates of the one-phonon admixtures are obtained from both experimental probes when two-step contributions to the proton scattering cross sections are taken into account. In the second part of the thesis the line shape of the first excited 1/2{sup +} state in {sup 9}Be is studied. Spectra of the {sup 9}Be(e,e') reaction were measured at the S-DALINAC at an electron energy E e=73 MeV and scattering angles of 93 and 141 with high energy resolution up to excitation energies E{sub x}=8 MeV. The form factor of the first excited state has been extracted from the data. The astrophysical relevant {sup 9}Be({gamma},n) cross sections have been extracted from the (e,e') data. The

  7. Recurrence of the excited states of nuclei and time coherency of the de Broglie wave in 16O+n resonances

    International Nuclear Information System (INIS)

    Ohkubo, Makio

    2003-01-01

    From the requirement of the time periodicity of a (quasi) stable state, frequencies of the normal modes, which compose the state, are commensurable (integer ratios) with each other, and the excitation energies E x are written as a sum of inverse integers. We propose an expression: E x = GΣ1/n, where n = integers and G = 34.5 MeV. Recurrence time is defined as LCM(n j ) x τ o , where τ 0 = 2πℎ/G = 1.20 x 10 -22 s. LCM vs. E x are illustrated for all possible n j of 2 and 3 normal modes. In 16 O +n resonances, integer ratios are found between the recurrence frequencies of 17 O and the de Broglie wave frequencies of incident neutron, meaning time coherency between them. A simple branch pattern is found in 16 O +n resonance levels. (author)

  8. 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.

  9. 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.

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

    CERN Document Server

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

    2016-05-02

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

  11. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

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

  12. Observation of enhanced zero-degree binary encounter electron production with decreasing charge-state q in 30 MeV Oq+ + O2 collisions

    International Nuclear Information System (INIS)

    Zouros, T.J.M.; Wong, K.L.; Hidmi, H.I.

    1993-01-01

    We have measured binary encounter electron production in collisions of 30 MeV O q+ projectiles (q=4-8) and O 2 targets. Measured double differential BEe cross-sections are found to increase with decreasing charge-state q, in agreement with similar previously reported zero-degree investigations for H 2 and He targets. However, measurements for the same system but at 25 degrees shows the opposite trend, that BEe cross sections decrease slightly with decreasing charge state

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

    Science.gov (United States)

    Oka, Hisaki

    2011-03-28

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

  14. Excited eigenmodes in magnetic vortex states of soft magnetic half-spheres and spherical caps

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Myoung-Woo; Lee, Jae-Hyeok; Kim, Sang-Koog, E-mail: sangkoog@snu.ac.kr [National Creative Research Initiative Center for Spin Dynamics and Spin-Wave Devices, Nanospinics Laboratory, Research Institute of Advanced Materials, Department of Materials Science and Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of)

    2014-12-14

    We studied the magnetization dynamics of excitation modes in special geometrical confinements of soft magnetic half-spheres and spherical caps in magnetic vortex states using finite-element micromagnetic numerical calculations. We found additional fine features of the zeroth- and first-order gyrotropic modes and asymmetric m = +1 and m = −1 azimuthal spin-wave modes, which detailed information is unobtainable from two-dimensional mesh-cell based numerical calculations. Moreover, we examined the perpendicular bias field dependence of the excited eigenmodes, which data provide for an efficient means of control over the excited modes. Such numerical calculations offer additional details or new underlying physics on dynamic features in arbitrary-shape magnetic nano-elements such as half-spheres and spherical caps in magnetic vortex states.

  15. Collisional excitation transfer between Rb(5P) states in 50–3000 Torr of 4He

    International Nuclear Information System (INIS)

    Sell, J F; Gearba, M A; Patterson, B M; Byrne, D; Jemo, G; Meeter, R; Knize, R J; Lilly, T C

    2012-01-01

    Measurements of the mixing rates and cross sections for collisional excitation transfer between the 5P 1/2 and 5P 3/2 states of rubidium (Rb) in the presence of 4 He buffer gas are presented. Selected pulses from a high repetition rate, mode-locked femtosecond laser are used to excite either Rb state with the fluorescence due to collisional excitation transfer observed by time-correlated single-photon counting. The time dependence of this fluorescence is fitted to the solution of rate equations which include the mixing rate, atomic lifetimes and any quenching processes. The variation in the mixing rate over a large range of buffer gas densities allows the determination of both the binary collisional transfer cross section and a three-body collisional transfer rate. We do not observe any collisional quenching effects at 4 He pressures up to 6 atm and discuss in detail other systematic effects considered in the experiment. (paper)

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

    International Nuclear Information System (INIS)

    Andersen, T.; Horsdal-Pedersen, E.

    1984-01-01

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

  17. Spectroscopy and intramolecular relaxation of methyl salicylate in its first excited singlet state

    Science.gov (United States)

    Kuper, Jerry W.; Perry, David S.

    1984-05-01

    High resolution fluorescence excitation experiments are reported for the blue emitting rotamer of methyl salicylate in its first excited singlet state. These experiments employ moderate expansions of methyl salicylate seeded in argon ( P0D=5-8 Torr cm) to achieve rotational and vibrational cooling in a pulsed supersonic jet. The rotational contour of the electronic origin at 30 055.3 cm-1 is shown to be consistent with a geometrically distorted π-π* excited state, partially polarized along the A axis and with a rotational temperature of 5-7 K. A noticeable broadening of the spectral features beyond the rotational contour begins at 500 cm-1 above the origin and then increases rapidly above 900 cm-1 reaching a width of 12 cm-1 near 1200 cm-1. The constancy of fluorescence decay lifetimes in this region indicate that intramolecular vibrational relaxation in the S1 manifold is the broadening mechanism.

  18. An excited-state approach within full configuration interaction quantum Monte Carlo

    International Nuclear Information System (INIS)

    Blunt, N. S.; Smart, Simon D.; Booth, George H.; Alavi, Ali

    2015-01-01

    We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distributions of walkers, to orthogonalize higher energy states against lower energy ones. It can thus be used to study several of the lowest-energy states of a system within the same symmetry. This additional step is particularly simple and computationally inexpensive, requiring only a small change to the underlying FCIQMC algorithm. No trial wave functions or partitioning of the space is needed. The approach should allow excited states to be studied for systems similar to those accessible to the ground-state method due to a comparable computational cost. As a first application, we consider the carbon dimer in basis sets up to quadruple-zeta quality and compare to existing results where available

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  1. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  2. Exact ground and excited states of an antiferromagnetic quantum spin model

    International Nuclear Information System (INIS)

    Bose, I.

    1989-08-01

    A quasi-one-dimensional spin model which consists of a chain of octahedra of spins has been suggested for which a certain parameter regime of the Hamiltonian, the ground state, can be written down exactly. The ground state is highly degenerate and can be other than a singlet. Also, several excited states can be constructed exactly. The ground state is a local RVB state for which resonance is confined to rings of spins. Some exact numerical results for an octahedron of spins have also been reported. (author). 16 refs, 2 figs, 1 tab

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

    Science.gov (United States)

    Martirez, John Mark P; Carter, Emily A

    2017-03-29

    Localized surface plasmon resonances (LSPRs) offer the possibility of light-activated chemical catalysis on surfaces of strongly plasmonic metal nanoparticles. This technology relies on lower-barrier bond formation and/or dissociation routes made available through energy transfer following the eventual decay of LSPRs. The coupling between these decay processes and a chemical trajectory (nuclear motion, charge-transfer, intersystem crossing, etc.) dictates the availability of these alternative (possibly lower barrier) excited-state channels. The Haber-Bosch method of NH 3 synthesis from N 2 and H 2 is notoriously energy intensive. This is due to the difficulty of N 2 dissociation despite the overall reaction being thermodynamically favorable at ambient temperatures and pressures. LSPRs may provide means to improve the kinetics of N 2 dissociation via induced resonance electronic excitation. In this work, we calculate, via embedded n-electron valence second-order perturbation theory within the density functional embedding theory, the excited-state potential energy surfaces for dissociation of N 2 on an Fe-doped Au(111) surface. This metal alloy may take advantage simultaneously of the strong LSPR of Au and the catalytic activity of Fe toward N 2 dissociation. We find the ground-state dissociation activation energy to be 4.74 eV/N 2 , with Fe as the active site on the surface. Consecutive resonance energy transfers (RETs) may be accessed due to the availability of many electronically excited states with intermediate energies arising from the metal surface that may couple to states induced by the Fe-dopant and the adsorbate molecule, and crossing between excited states may effectively lower the dissociation barrier to 1.33 eV. Our work illustrates that large energetic barriers, prohibitive toward chemical reaction, may be overcome through multiple RETs facilitating an otherwise difficult chemical process.

  4. Calculation of the ground and excited states of the Ne2 molecule by the variational cellular method

    International Nuclear Information System (INIS)

    Dias, A.M.; Rosato, A.

    1981-07-01

    The potential curves for the ground state 1 Σ + sub(g) and for the first singlet excited state 1 Σ + sub (u) of the Ne 2 molecule are determined by the Variational Cellular Method. From these curves some spectroscopical constants are obtained. Ionization energies of the excited state 1 Σ + sub (u) are calculated. (Author) [pt

  5. Ultrafast excited state processes in Roseobacter denitrificans antennae: comparison of isolated complexes and native membranes

    NARCIS (Netherlands)

    Ferretti, M.; Duquesne, K.; Sturgis, J.N.; van Grondelle, R.

    2014-01-01

    Roseobacter (Rsb.) denitrificans is a marine aerobic anoxygenic photosynthetic purple bacterium with an unusually high-800 nm absorption band. Ultrafast excited state processes have been intensively studied in the past in order to understand why the energy transfer efficiency between photosynthetic

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

    Science.gov (United States)

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

    2017-04-01

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

  7. Solvent effects on excited-state structures: A quantum Monte Carlo and density functional study

    NARCIS (Netherlands)

    Guareschi, R.; Floris, F.M.; Amovilli, C.; Filippi, Claudia

    2014-01-01

    We present the first application of quantum Monte Carlo (QMC) in its variational flavor combined with the polarizable continuum model (PCM) to perform excited-state geometry optimization in solution. Our implementation of the PCM model is based on a reaction field that includes both volume and

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

    CSIR Research Space (South Africa)

    Ngcobo, Sandile

    2016-02-01

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

  9. An exciton approach to the excited states of two electron atoms. I Formalism and interpretation

    International Nuclear Information System (INIS)

    Schipper, P.E.

    1985-01-01

    The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair

  10. Efficient Predictions of Excited State for Nanomaterials Using Aces 3 and 4

    Science.gov (United States)

    2017-12-20

    energetics of the various isomers of the materials, obtained from computed heats of reactions that provide the enthalpy and free energy for the species... modeling , excited states, optical properties, structure, stability, activation barriers first principle methods, parallel computing 16. SECURITY...6 Figure 7. Charge- transfer from ethylene to tetrafluro ethylene

  11. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Bhaskaran-Neir, K.; Govind, N.; Pittner, Jiří

    2012-01-01

    Roč. 137, č. 17 (2012), s. 171101 ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : coupled cluster calculations * electron correlations * excited states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  12. Excited-state properties of the 16 kDa red carotenoid protein from Arthrospira maxima

    Czech Academy of Sciences Publication Activity Database

    Chábera, P.; Durchan, Milan; Shih, P.M.; Kerfeld, C.A.; Polívka, Tomáš

    2011-01-01

    Roč. 1807, č. 1 (2011), s. 30-35 ISSN 0005-2728 Institutional research plan: CEZ:AV0Z50510513 Keywords : cyanobacteria * carotenoid * excited-state Subject RIV: BO - Biophysics Impact factor: 4.843, year: 2011

  13. A study of the excited 1Σ+sub(g) states in Na2

    International Nuclear Information System (INIS)

    Taylor, A.J.; Jones, K.M.; Schawlow, A.L.

    1981-01-01

    Using the technique of two-step polarization labeling spectroscopy seven excited 1 Σ + sub(g) states in Na 2 have been found. Molecular constants are derived from a Dunham expansion. Tentative assignments are made to the 3p + 3p, 3s + nd and 3s + ns atomic asymptotes. (orig.)

  14. 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.

  15. Implications of electron attachment to highly-excited states in pulsed-power discharges

    International Nuclear Information System (INIS)

    Pinnaduwage, L.A.; Univ. of Tennessee, Knoxville, TN

    1997-01-01

    The author points out the possible implications of electron attachment to highly-excited states of molecules in two pulsed power technologies. One involves the pulsed H 2 discharges used for the generation of H ion beams for magnetic fusion energy and particle accelerators. The other is the power modulated plasma discharges used for material processing

  16. An evaluation of the methods of determining excited state population distributions from sputtering sources

    International Nuclear Information System (INIS)

    Snowdon, K.J.; Andresen, B.; Veje, E.

    1978-01-01

    The method of calculating relative initial level populations of excited states of sputtered atoms is developed in principle and compared with those in current use. The reason that the latter, although mathematically different, have generally led to similar population distributions is outlined. (Auth.)

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

    KAUST Repository

    Whited, Matthew T.; Patel, Niral M.; Roberts, Sean T.; Allen, Kathryn; Djurovich, Peter I.; Bradforth, Stephen E.; Thompson, Mark E.

    2012-01-01

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

  18. Constrained state-feedback control of an externally excited synchronous machine

    NARCIS (Netherlands)

    Carpiuc, S.C.; Lazar, M.

    2013-01-01

    State-feedback control of externally excited synchronous machines employed in applications such as hybrid electric vehicles and full electric vehicles is a challenging problem. Indeed, these applications are characterized by fast dynamics that are subject to hard physical and control constraints.

  19. Excited fermionic states in e+ e- and eγ collisions

    International Nuclear Information System (INIS)

    Moraes Gregores, Eduardo de

    1994-01-01

    Some preliminary results are presented which were obtained in the investigation of signs that can reveal the existence of fermionic excited states in e + e - and eγ collisions where the electron beam is obtained using the conversion method named laser backscattering. 3 refs

  20. Effect of carotenoid structure on excited-state dynamics of carbonyl carotenoids

    Czech Academy of Sciences Publication Activity Database

    Chábera, P.; Fuciman, M.; Hříbek, P.; Polívka, Tomáš

    2009-01-01

    Roč. 11, - (2009), s. 8795-8703 ISSN 1463-9076 R&D Projects: GA AV ČR IAA608170604 Institutional research plan: CEZ:AV0Z50510513 Keywords : excited-state dynamics * carbonyl carotenoids * femtosecond spectroscopy Subject RIV: BO - Biophysics Impact factor: 4.116, year: 2009

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

    Directory of Open Access Journals (Sweden)

    Ding Thomas

    2013-03-01

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

  2. Pushing the limits of excited-state g-factor measurements

    Science.gov (United States)

    Stuchbery, Andrew E.; McCormick, Brendan P.; Gray, Timothy J.; Coombes, Ben J.

    2018-05-01

    Current developments in excited-state g-factor measurements are discussed with an emphasis on cases where the experimental methodology is being extended into new regimes. The transient-field technique, the recoil in vacuum method, and moment measurements with LaBr3 detectors are discussed.

  3. 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

  4. 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

  5. Studies on excitation functions of alpha-induced reactions on {sup nat}Fe from threshold to 45 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.S.; Kim, G.N.; Zaman, M. [Kyungpook National University, Department of Physics, Daegu (Korea, Republic of); Uddin, M.S. [Atomic Energy Research Establishment, Tandem Accelerator Facilities, Institute of Nuclear Science and Technology, Dhaka (Bangladesh)

    2018-01-15

    Excitation functions of the {sup nat}Fe(α, x){sup 57}Ni, {sup nat}Fe(α, x){sup 55,56,57,58m,g}Co and {sup nat}Fe(α, x){sup 52,54}Mn reactions were measured using the stacked-foil activation technique. The induced radioactivities in both the target and monitor foils were measured using an off-line γ-ray spectrometric technique. The cross sections for the above reactions were also calculated theoretically using the TALYS-1.8 code. The measured results were compared with the other experimental data and theoretical values. The theoretically calculated values are described well by our experimental data. It is observed that the rate of proton emission is larger than the neutron one. The measured results for the formation of few radionuclides are new and the other measured data strengthen the database. The experimental and theoretical studies on the investigated reactions should lead to a useful insight into the mechanisms of those reactions. (orig.)

  6. The giant-dipole-resonance effect in coulomb excitation of 10B

    International Nuclear Information System (INIS)

    Vermeer, W.J.; Zabel, T.H.; Esat, M.T.; Kuehner, J.A.; Spear, R.H.; Baxter, A.M.

    1982-04-01

    Coulomb excitation of the 0.718-MeV, Jsup(π) = 1 + , first excited state of 10 B has been studied using projectile excitation by 208 Pb and observing the backward scattered particles. The results give a clear indication of the virtual excitation of the giant dipole resonance as a second-order effect. The observed magnitude is consistent with the usual hydrodynamic model estimate and with a recent shell-model calculation

  7. Excited states of ethylene interpreted in terms of perturbed Rydberg series

    International Nuclear Information System (INIS)

    Yamamoto, Shigeyoshi; Tatewaki, Hiroshi

    2003-01-01

    We have investigated the excited states of the ethylene molecule by the multireference configuration interaction (MRCI) method. In particular, the nature of the V state (1 1 B 1u π→π*) was interpreted in terms of perturbed Rydberg series. To clarify the role of the perturbers, we use pseudo-restricted Hartree-Fock natural orbitals (PRHFNO), which would be the most suitable molecular orbital set to describe Rydberg series. It is well known that the expectation value of x 2 for the V state is reduced from 44a 0 2 (RHF) to around 17a 0 2 by considering electron correlation effects, where x is the direction out of the molecular plane. In the present study, a reasonable 2 > value was obtained from small multireference configuration interaction with single excitations (MRCIS), where the π→π* configurations and a few perturbers were assigned as the reference configurations. The major perturbers were found to be five configurations represented by 3a g → 3b 1u , 1b 3g → 3b 2u , 2b 1u → 4a g , 2a g → 3b 1u , and 1b 2u → 2b 3g with respect to the ground state configuration. The V state can therefore be described as a scattering process of the π→π* state by these perturbers. Other low-lying excited states are also investigated by the MRCI method

  8. Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories

    International Nuclear Information System (INIS)

    Nakatsuji, H.

    1979-01-01

    The SAC and SAC CI theories are formulated for actual calculations of singlet ground states and their excited states of arbitrary spin multiplicity. Approximations are considered for the variational methods since time-consuming terms are involved. The results of test calculations for singlet states have shown, with much smaller numbers of variables (sizes of the matrices involved), excellent agreement with the full CI and close-to-full CI results. This shows the utility of the SAC theory for ground states and especially of the SAC CI theory for excited states, since the slow convergence of the CI theory is much more critical for excited states than for ground states. (Auth.)

  9. Relaxation of helium levels excited by heavy ion impact: III.- Orientation by anisotropic relaxation of excited atoms in previously aligned states

    International Nuclear Information System (INIS)

    Chamoun, E.; Lombardi, M.; Carre, M.; Gaillard, M.L.

    1977-01-01

    In the last paper of this series devoted to relaxation phenomena in a low pressure cell of helium excited by an accelerated ion beam, experimental evidence is given for a new mechanism of transfer between alignment and orientation through anisotropic relaxation of initially aligned excited states. The theory predicting this effect is briefly outlined and then description is given of the exact experimental conditions to detect the circularly polarized component of the light emitted by the target excited in the 4 1 D level of He I by Na + impact [fr

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-07-01

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

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

    Science.gov (United States)

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

    2016-10-12

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

  12. 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.)

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

    KAUST Repository

    Cekli, Seda; Winkel, Russell W.; Alarousu, Erkki; Mohammed, Omar F.; Schanze, Kirk S.

    2016-01-01

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

  14. 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.

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

    KAUST Repository

    Cekli, Seda

    2016-02-12

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

  16. 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

  17. On the theory of deuteron disintegration with collective states excitation in nuclei

    International Nuclear Information System (INIS)

    Evlanov, M.V.

    1981-01-01

    Differential cross sections of diffraction disintegration of deuterons with excitation of collective states in nuclei have been theoretically investigated. Effects of nucleon-nucleon interaction as well as smearing of nucleus boundary on differential characteristics of deuteron disintegration accompanying with change in state of target- nuclei have been studied. Spectra of protons liberated during the reaction of 2 + level deuteron disintegration in 114 Cd nucleus are presented [ru

  18. The population transfer of high excited states of Rydberg lithium atoms in a microwave field

    International Nuclear Information System (INIS)

    Jiang Lijuan; Zhang Xianzhou; Ma Huanqiang; Jia Guangrui; Zhang Yonghui; Xia Lihua

    2012-01-01

    Using the time-dependent multilevel approach (TDMA), the properties of high excited Rydberg lithium atom have been obtained in the microwave field. The population transfer of lithium atom are studied on numerical calculation, quantum states are controlled and manipulated by microwave field. It shows that the population can be completely transferred to the target state by changing the chirped rate and field amplitude. (authors)

  19. 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.

  20. Observation of an excited Bc+/- meson state with the ATLAS detector

    Czech Academy of Sciences Publication Activity Database

    Aad, G.; Abbott, B.; Abdallah, J.; Böhm, Jan; Chudoba, Jiří; Havránek, Miroslav; Hejbal, Jiří; Jakoubek, Tomáš; Kepka, Oldřich; Kupčo, Alexander; Kůs, Vlastimil; Lokajíček, Miloš; Lysák, Roman; Marčišovský, Michal; Mikeštíková, Marcela; Němeček, Stanislav; Šícho, Petr; Staroba, Pavel; Svatoš, Michal; Taševský, Marek; Vrba, Václav

    2014-01-01

    Roč. 113, č. 21 (2014), "2120041"-"212004-5" ISSN 0031-9007 R&D Projects: GA MŠk(CZ) LG13009 Institutional support: RVO:68378271 Keywords : error * statistical * p p * scattering * B/c+ * ATLAS * meson * mass difference * CERN LHC Coll * excited state * ground state * J/psi(3100) * pi+ pi- Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 7.512, year: 2014

  1. Static quadrupole moment of the first excited state of 24Mg

    International Nuclear Information System (INIS)

    Fewell, M.P.; Hinds, S.; Kean, D.C.; Zabel, T.H.

    1979-01-01

    The static quadrupole moment Qsub(2+) and the B(E2;0 + → 2 + ) value for the first excited state of 24 Mg have been determined using the reorientation effect in Coulomb excitation. Surface barrier detectors at 90 0 and 172 0 were used to detect 24 Mg ions scattered from 208 Pb. It is found that Qsub(2+) = -18.1 +- 1.3 e.fm 2 , suggesting that, contrary to most previous experimental evidence, the quadrupole moment is in agreement with theoretical predictions. For B(E2;0 + → 2 + ) the value 443 +- 24 e 2 . fm 4 was obtained

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  3. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-01

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

  5. Pulsed laser study of excited states of aromatic molecules absorbed in globular proteins

    International Nuclear Information System (INIS)

    Cooper, M.; Thomas, J.K.

    1977-01-01

    Pyrene and several derivatives of pyrene such as pyrene sulfonic acid, and pyrene butyric acid were incorporated into bovine serum albumin (BSA) in aqueous solution. The pyrene chromophore was subsequently excited by a pulse of uv light (lambda = 3471 A) from a Q switched frequency doubled ruby laser. The lifetime of the pyrene excited singlet and triplet states were monitored by time resolved spectrophotometry. Various molecules, such as O 2 and I - , dissolved in the aqueous phase, diffused into the protein and quenched pyrene excited states. The rates of these reactions were followed under a variety of conditions such as pH and temperature and in the presence of inert additives. The rates of pyrene excited-state quenching were often considerably smaller than the rates observed in simple solutions. A comparison of the rates in the protein and homogeneous solutions gives information on the factors such as temperature, charge, and pH that control the movement of small molecules in and into BSA

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-07

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

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

    International Nuclear Information System (INIS)

    Blom, Alex Jason

    2009-01-01

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

  8. Electronic structure and the mechanism of autoionization for doubly excited states

    International Nuclear Information System (INIS)

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

    1986-01-01

    Apart from pure phenomenology, the rigorous and quantitative study of many-electron autoionizing states presents intriguing questions as regards their structure and dynamics. In this paper we present an analysis of such states within a state specific theory with application to five low-lying doubly excited states (DES) of He. The zeroth order description is multiconfigurational and is obtained numerically at the MCHF level. In this way, major radial and angular correlations are accounted for accurately, and reliable predictions can be made without the requirement of large computations. The additional localized correlation is obtained by optimizing variationally analytic virtual orbitals. (orig./WL)

  9. Effect of 50 and 80 MeV phosphorous ions on the contribution of interface and oxide state density in n-channel MOSFETs

    Energy Technology Data Exchange (ETDEWEB)

    Shinde, N.S.; Dhole, S.D.; Kanjilal, D.; Bhoraskar, V.N. E-mail: vnb@physics.unipune.ernet.in

    1999-07-02

    n-channel depletion MOS devices were irradiated with 50 and 80 MeV phosphorous ions, with different fluences varying in the range from 10{sup 11} to 10{sup 13} ions/cm{sup 2}. The pre and post irradiation I-V characteristics were measured and the corresponding threshold shift {delta}V{sub TH} was estimated. In both the cases, the drain current I{sub D} and the threshold voltage V{sub TH} were found to decrease with the ion fluence. The increase in the threshold voltage shift {delta}V{sub TH} with the ion fluence, was greater for the devices irradiated with 80 MeV ions than those irradiated with 50 MeV ions. The interface and oxide state densities were determined through the subthreshold voltage measurements. To separate the contributions of oxide and interface states towards the threshold voltage shift, the ion irradiated MOS devices were annealed at 150 deg. C. The threshold shift during annealing initially decreased and later increased with increasing annealing period. The rate of change of the interface states during annealing was higher than that of the oxide states. It was also found that depletion mode (normally ON) MOSFETs switched operation to enhancement mode (normally OFF)

  10. 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.)

  11. Single-particle and collective excitations in Ni-63

    OpenAIRE

    Albers, M.; Zhu, S.; Janssens, R. V. F.; Gellanki, Jnaneswari; Ragnarsson, Ingemar; Alcorta, M.; Baugher, T.; Bertone, P. F.; Carpenter, M. P.; Chiara, C. J.; Chowdhury, P.; Deacon, A. N.; Gade, A.; DiGiovine, B.; Hoffman, C. R.

    2013-01-01

    A study of excited states in Ni-63 up to an excitation energy of 28 MeV and a probable spin of 57/2 was carried out with the Mg-26(Ca-48,2 alpha 3n gamma)Ni-63 reaction at beam energies between 275 and 320 MeV. Three collective bands, built upon states of single-particle character, were identified. For two of the three bands, the transition quadrupole moments were extracted, herewith quantifying the deformation at high spin. The results have been compared with shell-model and cranked Nilsson-...

  12. Multi-quasiparticle excitations in 145Tb

    International Nuclear Information System (INIS)

    Zheng Yong; Zhou Xiaohong; Zhang Yuhu; Liu Minliang; Guo Yingxiang; Lei Xiangguo; Kusakari, H.; Sugawara, M.

    2004-01-01

    High-spin states in 145 Tb have been populated using the 118 Sn( 32 S, 1p4n) reaction at a beam energy of 165 MeV. The level scheme of 145 Tb has been established for the first time. The level scheme shows characteristics of spherical or slightly oblate nucleus. Based on the systematic trends of the level structure in the neighboring N=80 isotones, the level structure in 145 Tb below 2 MeV excitation is well explained by coupling an h 11/2 valence proton to the even-even 144 Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations. (authors)

  13. Charge-resonance excitations in symmetric molecules - Comparison of linear response DFT with CC3 for the excited states of a model dimer

    DEFF Research Database (Denmark)

    Kuhlman, Thomas Scheby; Mikkelsen, Kurt V.; Møller, Klaus Braagaard

    2009-01-01

    to a reference CC3 calculation revealing a better description of the excited states by CAM-B3LYP than that of B3LYP. The Λ parameter introduced by Peach et al. [M.J.G. Peach, P. Benfield, T. Helgaker, D.J. Tozer, J. Chem. Phys. 128 (2008) 044118] does not always reveal the problematic charge-resonance states...

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  15. Effects of repulsive three-body force in 12C + 12C scattering at 100A MeV

    Directory of Open Access Journals (Sweden)

    W.W. Qu

    2015-12-01

    Full Text Available The angular distribution of 12C + 12C scattering at an incident energy of 100A MeV has been measured. The elastic and inelastic scatterings in 12C to the excitation energies of up to ∼45 MeV were measured simultaneously for the first time with the high-resolution Grand Raiden spectrometer at the Research Center for Nuclear Physics (RCNP. The angular distributions of the elastic scattering to the ground state (01+ and inelastic scattering to the 4.44 MeV (21+ excited state were precisely obtained in the angular range of 1.0°–7.5° with a step of 0.1°. Additionally, the angular distribution was obtained for the sum of the cross sections for excitation energies above the 4.44 MeV state up to 11 MeV, which includes the 7.65 MeV (02+, 9.64 MeV (31−, and 10.30 MeV (22+ states, in addition to probably the simultaneous excitation of the 4.44 MeV state in the projectile and the target nuclei. Those combined data provide a means to study the effects of channel coupling on the elastic cross section. The observed angular distributions are compared with theoretical calculations based on three double-folding models with complex G-matrix interactions, the CEG07b, MPa, and ESC models. The importance of three-body repulsive forces included in the CEG07b and MPa models will be discussed.

  16. 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.

  17. 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)

  18. Populations of excited states and reaction mechanisms in the emission of complex fragments

    International Nuclear Information System (INIS)

    Gomez del Campo, J.

    1990-01-01

    Cross sections for emission of complex fragments (Z>2) in their ground and excited states are presented for several heavy-ion reactions at bombarding energies above 10 MeV/nucleon. Data presented are mostly on the cross sections extracted by γ-ray techniques. It is shown that a simple statistical approach to associate the ratio, of cross sections for excited states and ground states, to the temperature of the emitter fails to give the expected temperatures. However, it is shown that this is mostly due to the fact that the fragments that γ decay are secondary fragments, produced by the particle decay of the primary emitted complex fragments. A Hauser-Feshbach analysis accounts well for the cross sections and extracted temperatures. 22 refs., 6 figs

  19. Integral cross sections for electron impact excitation of vibrational and electronic states in phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Ratnavelu, K. [Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-05-21

    We report on measurements of integral cross sections (ICSs) for electron impact excitation of a series of composite vibrational modes and electronic-states in phenol, where the energy range of those experiments was 15–250 eV. There are currently no other results against which we can directly compare those measured data. We also report results from our independent atom model with screened additivity rule correction computations, namely, for the inelastic ICS (all discrete electronic states and neutral dissociation) and the total ionisation ICS. In addition, for the relevant dipole-allowed excited electronic states, we also report f-scaled Born-level and energy-corrected and f-scaled Born-level (BEf-scaled) ICS. Where possible, our measured and calculated ICSs are compared against one another with the general level of accord between them being satisfactory to within the measurement uncertainties.

  20. Formation of excited states in high-Z helium-like systems

    International Nuclear Information System (INIS)

    Fritzsche, S.; Fricke, B.; Brinzanescu, O.

    1999-12-01

    High-Z helium-like ions represent the simplest multi-electron systems for studying the interplay between electron-electron correlations, relativistic as well as quantum electrodynamical effects in strong fields. In contrast to the adjacent lithium-like ions, however, almost no experimental information is available about the excited states in the high-Z domain of the helium sequence. Here, we present a theoretical analysis of the X-ray production and decay dynamics of the excited states in helium-like uranium. Emphasize has been paid particularly to the formation of the 3 P 0 and 3 P 2 levels by using electron capture into hydrogen-like U 91+ . Both states are of interest for precise measurements on high-Z helium-like ions in the future. (orig.)