Isovector pairing in self-conjugate nuclei in a formalism of quartets

International Nuclear Information System (INIS)

Sambataro, M; Sandulescu, N

2014-01-01

The isovector proton-neutron pairing in self-conjugate nuclei is treated in a formalism of quartets. Quartets are four-body correlated structures built from two neutrons and two protons coupled to total isospin T = 0. The ground state of the isovector pairing Hamiltonian is described as a product of quartets. We review both the case in which the quartets are constrained to be all identical and the case in which they are allowed to be distinct from one another. The quality of the two approaches is tested by making comparisons with exact shell model calculations for N = Z nuclei with valence nucleons outside the 16 O, 40 Ca, and 100 Sn cores. We consider both spherical and axially deformed mean fields. Both approaches are found to be very accurate. In the applications to a deformed mean field, in particular, the formalism with distinct quartets gives rise to results which are basically exact

Investigations of the valence-shell excitations of molecular ethane by high-energy electron scattering

Science.gov (United States)

Xu, Wei-Qing; Xu, Long-Quan; Qi, De-Guang; Chen, Tao; Liu, Ya-Wei; Zhu, Lin-Fan

2018-04-01

The differential cross sections and generalized oscillator strengths for the low-lying excitations of the valence-shell 1eg orbital electron in ethane have been measured for the first time at a high incident electron energy of 1500 eV and a scattering angular range of 1.5°-10°. A weak feature, termed X here, with a band center of about 7.5 eV has been observed, which was also announced by the previous experimental and theoretical studies. The dynamic behaviors of the generalized oscillator strengths for the 3s (8.7 eV), 3s+3p (9.31 eV, 9.41 eV), and X (˜7.5 eV) transitions on the momentum transfer squared have been obtained. The integral cross sections of these transitions from their thresholds to 5000 eV have been obtained with the aid of the BE-scaling (B is the binding energy and E is the excitation energy) method. The optical oscillator strengths of the above transitions determined by extrapolating their generalized oscillator strengths to the limit of the squared momentum transfer K2 → 0 are in good agreement with the ones from the photoabsorption spectrum [J. W. Au et al., Chem. Phys. 173, 209 (1993)], which indicates that the present differential cross sections, generalized oscillator strengths, and integral cross sections can serve as benchmark data.

A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations

Energy Technology Data Exchange (ETDEWEB)

Holland, D.M.P., E-mail: david.holland@stfc.ac.uk [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Shaw, D.A. [Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD (United Kingdom); Stener, M.; Decleva, P. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); CNR-IOM, Trieste (Italy); Coriani, S. [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienze e Tecnologia dei Materiali, INSTM, Unità di Trieste (Italy); Aarhus Institute of Advanced Studies, Aarhus University, 8000 Aarhus C (Denmark)

2016-09-30

Highlights: • The valence shell photoabsorption spectrum of s-triazine has been measured. • Electronic structure calculated with TDDFT and coupled cluster approaches. • Assignments proposed for Rydberg and valence states. • Mixing between Rydberg and valence states important. - Abstract: The absolute photoabsorption cross section of s-triazine has been measured between 4 and 40 eV, and is dominated by bands associated with valence states. Structure due to Rydberg excitations is both weak and irregular. Jahn-Teller interactions affect the vibronic structure observed in the Rydberg absorption bands due to excitation from the 1e″ or 6e′ orbitals. The interpretation of the experimental spectrum has been guided by transition energies and oscillator strengths, for Rydberg and valence states, calculated with the time-dependent version of density functional theory and with the coupled cluster linear response approach. The theoretical studies indicate that Rydberg/Rydberg and Rydberg/valence mixing is important.

Direct double photoionization of the valence shell of Be

International Nuclear Information System (INIS)

Citrini, F.; Malegat, L.; Selles, P.; Kazansky, A.K.

2003-01-01

The hyperspherical R-matrix method with semiclassical outgoing waves is used to study the direct double photoionization (DPI) of the valence shell of the lightest alkaline earth-metal Be. The absolute fully integrated, singly, doubly, and triply differential cross sections obtained are compared with the single set of measurements available and with recent calculations based on the convergent close coupling and time-dependent close coupling methods. The level of agreement between all these data is very encouraging. A comparison is also made between the DPI of He and the direct DPI of the valence shell of Be. It confirms that the electron-electron correlations are stronger in the valence 2s shell of Be than in the 1s shell of He, thus contributing to a desirable clarification

A study of the valence shell spectroscopic and thermodynamic properties of trifluoronitrosomethane cations

International Nuclear Information System (INIS)

Graham, D.M.; Powis, I.; Underwood, J.G.; Shaw, D.A.; Holland, D.M.P.

2012-01-01

Highlights: ► Fragmentation processes in CF 3 NO have been studied using mass spectrometry. ► Singly charged atomic fragments have been observed. ► Experimental appearance energies have been compared to thermochemical estimates. ► Hartree Fock transition energies and oscillator strengths have been calculated. - Abstract: A time-of-flight mass spectrometry study has been carried out to investigate the fragmentation processes occurring in trifluoronitrosomethane (CF 3 NO) as a result of valence shell photoionisation. Synchrotron radiation has been used to record spectra in the photon energy range ∼10–42 eV, and appearance energies have been determined for 10 fragment ions. At high excitation energies, singly charged atomic fragments have been observed. For the main dissociation channels, leading to the formation of NO + , CF 2 + or CF 3 + , the experimental appearance energies have been compared with thermochemical estimates, and a satisfactory agreement has been found. Structure observed in the total ion yield curve has been interpreted with the aid of excited state transition energies and oscillator strengths obtained in a time-dependent Hartree Fock calculation. The theoretical results show that configuration interaction strongly affects many of the valence states. A HeI excited photoelectron spectrum of CF 3 NO has been measured and the orbital ionisation energies have been compared with theoretical values computed using the Outer Valence Green’s Function approach. A large Franck–Condon gap is observed between the 12a′ (n - ) and the 11a ′ state bands, in accord with the calculated vertical ionisation energies of 10.87 and 16.32 eV for the 12a′ (n − ) and the 11a′ (n + ) orbitals, respectively. In the ion yield curve, the corresponding energy range is strongly influenced by autoionising valence states.

Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2016-01-12

A benchmark set of 11 small radicals is set up to assess the performance of time-dependent density functional theory (TD-DFT) for the excited states of open-shell systems. Both the unrestricted (U-TD-DFT) and spin-adapted (X-TD-DFT) formulations of TD-DFT are considered. For comparison, the well-established EOM-CCSD (equation-of-motion coupled-cluster with singles and doubles) is also used. In total, 111 low-lying singly excited doublet states are accessed by all the three approaches. Taking the MRCISD+Q (multireference configuration interaction with singles and doubles plus the Davidson correction) results as the benchmark, it is found that both U-TD-DFT and EOM-CCSD perform well for those states dominated by singlet-coupled single excitations (SCSE) from closed-shell to open-shell, open-shell to vacant-shell, or closed-shell to vacant-shell orbitals. However, for those states dominated by triplet-coupled single excitations (TCSE) from closed-shell to vacant-shell orbitals, both U-TD-DFT and EOM-CCSD fail miserably due to severe spin contaminations. In contrast, X-TD-DFT provides balanced descriptions of both SCSE and TCSE. As far as the functional dependence is concerned, it is found that, when the Hartree-Fock ground state does not suffer from the instability problem, both global hybrid (GH) and range-separated hybrid (RSH) functionals perform grossly better than pure density functionals, especially for Rydberg and charge-transfer excitations. However, if the Hartree-Fock ground state is instable or nearly instable, GH and RSH tend to underestimate severely the excitation energies. The SAOP (statistically averaging of model orbital potentials) performs more uniformly than any other density functionals, although it generally overestimates the excitation energies of valence excitations. Not surprisingly, both EOM-CCSD and adiabatic TD-DFT are incapable of describing excited states with substantial double excitation characters.

Localized hole effects in inner-shell excitation

International Nuclear Information System (INIS)

Rescigno, T.N.; Orel, A.E.

1983-01-01

Ab initio calculations of valence shell ionization potentials have shown that orbital relaxation and correlation differences usually make contributions of comparable magnitude. In marked contrast to this observation is the situation for deep core ionization, where correlation differences (approx. 1 eV) play a relatively minor role compared to orbital relaxation (approx. 20 eV). Theoretical calculations have shown that this relaxation is most easily described if the 1s-vacancy created by a K-shell excitation is allowed to localize on one of the atomic centers. For molecules possessing a center of inversion, this means that the molecular orbitals that best describe the final state do not transform as any irreducible representation of the molecular point group. Recent experimental work by Shaw, King, Read and Cvejanovic and by Stefani and coworkers has prompted us to carry out further calculations on N 2 , as well as analogous investigations of 1s/sub N/ → π* excitation in NO and N 2 O. The generalized oscillator strengths display a striking similarity and point to the essential correctness of the localized hole picture for N 2 . The theoretical calculations are briefly described, followed by a summary of the results and comparison to experiment, followed by a short discussion

Study of isovector resonances with pion charge exchange

International Nuclear Information System (INIS)

Baer, H.W.; Bolton, R.; Bowman, J.D.

1982-01-01

Studies with the pion charge exchange reactions (π/sup +-/,π 0 ) at 164 MeV using the LAMPF π 0 spectrometer are yielding new results on the existence and systematic features of isovector resonances in nuclei. These experiments possess an unusually high signal/background ratio for isovector resonances of low-multipolarity. Results obtained to date are: (1) observation and angular disribution measurement of the giant dipole resonance in nuclei 12 C, 40 Ca, 90 Zr, and 120 Sn; and (2) observation and angular distribution measurements in the (π - ,π 0 ) reaction on 90 Zr and 120 Sn of large signals possessing the expected angular distribution shapes and magnitudes for the isovector monopole resonance. Excitation energies are near the hydrodynamical model values 170 A - /sup 1/3/ MeV. Differential cross sections are approximately 0.7 J 1 2 (qR) mb/sr. An overview of this experimental program, with emphasis on new results and how they correlate with existing knowledge on the isovector resonances, is presented

Surface and temperature effects in isovector giant resonances

International Nuclear Information System (INIS)

Lipparini, E.; Stringari, S.

1988-01-01

Using the liquid droplet model (LDM) we investigate three different sum rules for the isovector dipole and monopole excitations. Analytical formulae are derived for the excitation energies of these resonances and the predictions are compared with experiments. The role of the surface and the effects of temperature are explicitly discussed. (orig.)

An experimental and theoretical study of the valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine

Science.gov (United States)

Holland, D. M. P.; Powis, I.; Trofimov, A. B.; Menzies, R. C.; Potts, A. W.; Karlsson, L.; Badsyuk, I. L.; Moskovskaya, T. E.; Gromov, E. V.; Schirmer, J.

2017-10-01

The valence shell photoelectron spectra of 2-chloropyridine and 3-chloropyridine have been studied both experimentally and theoretically. Synchrotron radiation has been employed to record angle resolved photoelectron spectra in the photon energy range 20-100 eV, and these have enabled anisotropy parameters and branching ratios to be derived. The experimental results have been compared with theoretical predictions obtained using the continuum multiple scattering Xα approach. This comparison shows that the anisotropy parameter associated with the nominally chlorine lone-pair orbital lying in the molecular plane is strongly affected by the atomic Cooper minimum. In contrast, the photoionization dynamics of the second lone-pair orbital, orientated perpendicular to the molecular plane, seem relatively unaffected by this atomic phenomenon. The outer valence ionization has been studied theoretically using the third-order algebraic-diagrammatic construction (ADC(3)) approximation scheme for the one-particle Green's function, the outer valence Green's function method, and the equation-of-motion (EOM) coupled cluster (CC) theory at the level of the EOM-IP-CCSD and EOM-EE-CC3 models. The convergence of the results to the complete basis set limit has been investigated. The ADC(3) method has been employed to compute the complete valence shell ionization spectra of 2-chloropyridine and 3-chloropyridine. The relaxation mechanism for ionization of the nitrogen σ-type lone-pair orbital (σN LP) has been found to be different to that for the corresponding chlorine lone-pair (σCl LP). For the σN LP orbital, π-π* excitations play the main role in the screening of the lone-pair hole. In contrast, excitations localized at the chlorine site involving the chlorine πCl LP lone-pair and the Cl 4p Rydberg orbital are the most important for the σCl LP orbital. The calculated photoelectron spectra have allowed assignments to be proposed for most of the structure observed in the

Shell model description of Ge isotopes

International Nuclear Information System (INIS)

Hirsch, J G; Srivastava, P C

2012-01-01

A shell model study of the low energy region of the spectra in Ge isotopes for 38 ≤ N ≤ 50 is presented, analyzing the excitation energies, quadrupole moments, B(E2) values and occupation numbers. The theoretical results have been compared with the available experimental data. The shell model calculations have been performed employing three different effective interactions and valence spaces. We have used two effective shell model interactions, JUN45 and jj44b, for the valence space f 5/2 pg 9/2 without truncation. To include the proton subshell f 7/2 in valence space we have employed the fpg effective interaction due to Sorlin et al., with 48 Ca as a core and a truncation in the number of excited particles.

Isovector giant monopole resonances: A sum-rule approach

International Nuclear Information System (INIS)

Goeke, K.; Bonn Univ.; Castel, B.

1980-01-01

Several useful sum rules associated with isovector giant monopole resonances are calculated for doubly closed shell nuclei. The calculation is based on techniques known from constrained and adiabatic time-dependent Hartree-Fock theories and assume various Skyrme interactions. The results obtained form, together with the compiled literature, the basis for a quantitative description of the RPA strength distribution in terms of energy-weighted moments. These, together with strength distribution properties, are determined by a hierarchy of determinantal relations between moments. The isovector giant monopole resonance turns out to be a rather broad resonance centered at E = 46 Asup(-1/10) MeV with an extended width of more than 16 MeV. The consequences regarding isospin impurities in the nuclear ground state are discussed. (orig.)

Inner-shell excitation of alkali-metal atoms

International Nuclear Information System (INIS)

Tiwary, S.N.

1987-06-01

Inner-shell excitation of alkali-metal atoms, which leads to auto-ionization, is reviewed. The validity of quantum mechanical approximation is analyzed and the importance of exchange and correlation is demonstrated. Basic difficulties in making accurate calculations for inner-shell excitation process are discussed. Suggestions are made for further study of inner-shell process in atoms and ions. (author). 26 refs, 4 figs, 1 tab

(p,n) and (n,p) reactions as probes of isovector giant monopole resonances

International Nuclear Information System (INIS)

Auerbach, N.; Bowman, J.D.; Franey, M.A.; Love, W.G.

1983-01-01

Nucleon charge exchange reactions are explored as prospective probes of isovector giant monopole resonances. Using charge exchange transition densities based on random-phase approximation sum rules, distorted wave impulse approximation calculations are made for the (p,n) and (n,p) reactions exciting the isovector giant monopole resonances in several nuclei at bombarding energies of 120 and 800 MeV. Based on our calculations, the charge exchange reactions at 800 MeV appear more promising

Excitation and photon decay of giant resonances excited by intermediate energy heavy ions

International Nuclear Information System (INIS)

Bertrand, F.E.; Beene, J.R.

1987-01-01

Inelastic scattering of medium energy heavy ions provides very large cross sections and peak-to-continuum ratios for excitation of giant resonances. For energies above about 50 MeV/nucleon, giant resonances are excited primarily through Coulomb excitation, which is indifferent to isospin, thus providing a good probe for the study of isovector giant resonances. The extremely large cross sections available from heavy ion excitation permit the study of rare decay modes of the giant resonances. In particular, recent measurements have been made of the photon decay of giant resonances following excitation by 22 and 84 MeV/nucleon 17 O projectiles. The singles results at 84 MeV/nucleon yield peak cross sections for the isoscalar giant quadrupole resonance and the isovector giant dipole resonance of approximately 0.8 and 3 barns/sr, respectively. Data on the ground state decay of the isoscalar giant quadrupole and isovector giant dipole resonances are presented and compared with calculations. Decays to low-lying excited states are also discussed. Preliminary results from an experiment to isolate the 208 Pb isovector quadrupole resonance using its gamma decay are presented. 22 refs., 19 figs., 1 tab

Comment on '(p,n) and (n,p) reactions as probes of isovector giant monopole resonances'

International Nuclear Information System (INIS)

Bauhoff, W.

1984-01-01

The importance of medium corrections in the excitation of the isovector giant monopole resonance by nucleons is investigated. A large reduction of the cross-section, compared to calculations with free t-matrices, is found at projectile energies around 100 MeV. This will make observation of the isovector monopole at these energies even more difficult than estimated by Auerbach et al

Isovector excitations in 100Nb and their decays by neutron emission studied via the Mo100(t,He3+n reaction at 115 MeV/u

Directory of Open Access Journals (Sweden)

K. Miki

2017-06-01

Full Text Available Spin–isospin excitations in Nb100 were studied via the Mo100(t,He3 charge-exchange reaction at 115 MeV/u with the goal to constrain theoretical models used to describe the isovector spin response of nuclei. The experiment was performed with a secondary beam of tritons, and 3He particles were analyzed in the S800 magnetic spectrometer. Decay by neutron emission from excited states in Nb100 was observed by using plastic and liquid scintillator arrays. Differential cross sections were analyzed and monopole excitations were revealed by using a multipole decomposition analysis. The Gamow–Teller transition strength observed at low excitation energies, which is important for estimating the electron-capture rate in astrophysical scenarios, was strongly fragmented and reduced compared to single-particle and spherical mean-field models. The consideration of deformation in the theoretical estimates was found to be important to better describe the fragmentation and strengths. A strong excitation of the isovector spin giant monopole resonance was observed, and well reproduced by the mean-field models. Its presence makes the extraction of Gamow–Teller strengths at high excitation energies difficult. The branches for statistical and direct decay by neutron emission were identified in the spectra. The upper limit for the branching ratio by direct decay (integrated over all observed excitations was determined to be 20±6%. Even though the statistical uncertainties in the neutron-coincident data were too large to perform detailed studies of the decay by neutron emission from individual states and resonances, the experiment demonstrates the feasibility of the method.

Band-to-band and inner shell excitation VIS-UV photoluminescence of quaternary InAlGaN alloys

International Nuclear Information System (INIS)

Fukui, K.; Naoe, S.; Okada, K.; Hamada, S.; Hirayama, H.

2006-01-01

Visible and ultraviolet photoluminescence and photoluminescence excitation spectra of quaternary InAlGaN alloys were measured. The excitation photon energy covers from band edge to 180 eV, near both nitrogen K (∝400 eV) and aluminium K (∝1.5 keV) inner shell energy region. From photoluminescence excitation spectra photoluminescence intensity per incident photon number varies in proportion to incident photon energy. This result implies that many conduction band electron - valence band hole pairs which are responsible for photoluminescence are produced by high energy excitation. Time resolved decay curves were also measured in the same energy region. No effect of high energy excitation on time resolved decay measurements suggests a role of indium on the photoluminescence mechanism in InAlGaN system. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Isovector and flavor-diagonal charges of the nucleon

Science.gov (United States)

Gupta, Rajan; Bhattacharya, Tanmoy; Jang, Yong-Chull; Lin, Huey-Wen; Yoon, Boram

2018-03-01

We present an update on the status of the calculations of isovector and flavor-diagonal charges of the nucleon. The calculations of the isovector charges are being done using ten 2+1+1-flavor HISQ ensembles generated by the MILC collaboration covering the range of lattice spacings a ≈ 0.12, 0.09, 0.06 fm and pion masses Mπ ≈ 310, 220, 130 MeV. Excited-states contamination is controlled by using four-state fits to two-point correlators and three-states fits to the three-point correlators. The calculations of the disconnected diagrams needed to estimate flavor-diagonal charges are being done on a subset of six ensembles using the stocastic method. Final results are obtained using a simultaneous fit in M2π, the lattice spacing a and the finite volume parameter MπL keeping only the leading order corrections.

Spin-flip transitions in 46Ti, 48Ti and 50Cr excited by inelastic proton scattering

International Nuclear Information System (INIS)

Willis, A.; Morlet, M.; Marty, N.; Djalali, C.; Bohle, D.; Richter, A.; Stein, H.

1989-01-01

Forward angle cross sections for 1 + states have been measured in the non closed shell nuclei 46 Ti, 48 Ti, 50 Cr by 201 MeV proton inelastic scattering. The total measured 1 + strength is compared with microscopic distorted wave impulse approximation calculations using large scale shell model wave functions. The quenching for the 1 + strength ranges from 0.3 to 0.5. For the low energy isovector 1 + states the ratio of the orbital to the spin excitation is extracted

A study of the valence shell photoelectron and photoabsorption spectra of CF3SF5

International Nuclear Information System (INIS)

Holland, D M P; Shaw, D A; Walker, I C; McEwen, I J; Apra, E; Guest, M F

2005-01-01

The outer valence shell photoelectron spectrum of CF 3 SF 5 has been studied experimentally and theoretically. Synchrotron radiation has been used to record angle-resolved outer valence shell photoelectron spectra of CF 3 SF 5 in the photon energy range 18-60 eV. These spectra have allowed photoelectron asymmetry parameters and branching ratios to be derived. The Outer Valence Green's Function approach has been employed to calculate the molecular orbital configuration and associated binding energies. A charge distribution analysis has also been obtained. Assignments have been proposed for the peaks observed in the photoelectron spectrum. The absolute photoabsorption cross section of CF 3 SF 5 has been measured from threshold to 40 eV, and strongly resembles that of SF 6 . Assignments, involving intravalence transitions, have been proposed for some of the principal features appearing in the photoabsorption spectrum of CF 3 SF 5

Levels and transitions in /sup 204/Pb and the four valence neutron-hole configurations

International Nuclear Information System (INIS)

Hanly, J.M.; Hicks, S.E.; McEllistrem, M.T.; Yates, S.W.

1988-01-01

Levels of the nucleus /sup 204/Pb have been investigated using the (n,n'γ) reaction, and γ rays from low-spin excited levels have been observed. Forty-three low-spin levels connected by 78 γ rays are found below 2.9 MeV, whereas only about 28 levels had previously been known. The levels below 2 MeV excitation energy are expected to be dominated by the p/sub 1/2/, f/sub 5/2/, and p/sub 3/2/ valence neutron hole excitations, and 0 + levels at 0, 1730, and 2433.1 keV are associated primarily with these configurations. These states are at almost the same excitation energies as parent 0 + excitations in /sup 206/Pb. Approximately six unnatural-parity levels are identified; this is close to the number predicted in six orbit valence-space shell model calculations. The number of natural-parity levels found, however, is almost twice that calculated with the shell model. Levels and transitions below 2 MeV excitation energy are consistent with expectations basing /sup 204/Pb states on correlated two-hole excitations dominant in /sup 206/Pb

Photoionization cross-sections of ground and excited valence levels of actinides

Directory of Open Access Journals (Sweden)

Yarzhemsky Victor G.

2012-01-01

Full Text Available The photoionization cross-sections of ground and excited atomic states of actinide atoms were calculated by the Dirac-Fock-Slater method for two excitation energies of X-ray radiation (1253.6 eV and 1486.6 eV. These data are required for calculations of intensities of X-ray photoelectron spectra of actinide compound valence bands and interpretation of experimental spectra.

Scissors Modes and Spin Excitations in Light Nuclei Including ΔN=2 Excitations: Behaviour of 8Be and 10Be

Science.gov (United States)

Fayache, M. S.; Sharma, S. Shelley; Zamick, L.

1996-10-01

Shell model calculations are performed for magnetic dipole excitations in8Be and10Be, first with a quadrupole-quadrupole interaction (Q·Q) and then with a realistic interaction. The calculations are performed both in a 0pspace and in a large space which includes all 2ℏωexcitations. In the 0pwithQ·Qwe have an analytic expression for the energies of all states. In this limit we find that in10Be theL=1S=0 scissors mode with isospinT=1 is degenerate with that ofT=2. By projection from an intrinsic state we can obtain simple expressions forB(M1) to the scissors modes in8Be and10Be. We plot cumulative sums for energy-weighted isovector orbital transitions fromJ=0+ground states to the 1+excited states. These have the structure of a low-energy plateau and a steep rise to a high-energy plateau. The relative magnitudes of these plateaux are discussed. By comparing8Be and10Be we find that contrary to the behaviour in heavy deformed nuclei,B(M1)orbitalis not proportional toB(E2). On the other hand, a sum rule which relatesB(M1) to the difference (B(E2)isoscalar-B(E2)isovector) succeeds in describing the difference in behaviours in the two nuclei. The results forQ·Qand the realistic interactions are compared, as are the results in the 0pspace and the large (0p+2ℏω) space. The Wigner supermultiplet scheme is a very useful guide in analyzing the shell model results.

Valence configurations in 214Rn

International Nuclear Information System (INIS)

Dracoulis, G.D.; Byrne, A.P.; Stuchbery, A.E.; Bark, R.A.; Poletti, A.R.

1987-01-01

Excited states of 214 Rn, up to spins of ≅ 24 ℎ have been studied using γ-ray and electron spectroscopy following the 208 Pb( 9 Be,3n) 214 Rn reaction. The level scheme (which differs substantially from earlier work) is compared with the results of a semi-empirical shell model calculation. The availability of high-spin orbitals for the four valence protons and two valence neutrons, and the effect of the attractive proton-neutron interaction, leads to the prediction of high-spin states at an unusually low excitation energy. Experimentally, the high level density leads to difficulties in the level scheme assignments at high spin. Nevertheless, configuration assignments, supported by transition strengths deduced from the measured lifetimes (in the nanosecond region) are suggested for the main yrast states. The decay properties also suggest that configuration mixing is important. The possibility of a gradual transition to octupole deformation, implied by the decay properties of the 11 - and 10 + yrast states is also discussed. (orig.)

Microscopic studies of electric dipole resonances in 1p shell nuclei

International Nuclear Information System (INIS)

Kissener, H.R.; Rotter, I.; Goncharova, N.G.

1986-05-01

Recent data on total and partial photonuclear cross sections in the GDR region of the nuclei 6 Li to 16 O are compared with theoretical predictions, mostly from shell model and continuum shell model studies. The influence of the size of the configuration space, of the adopted residual interaction and of the continuous spectrum on the isovector E1 response is discussed to some detail. The observed trends of the localization, the shape and width, the isospin and the configurational structure of the GDR with increasing 1p shell occupation are related to the microscopic structure of the nuclear ground state. Particular attention is given to the partial (γ, N/sub i/) disintegration channels. Complex-particle emission and isospin mixing in the nuclear states are discussed for a few cases. An attempt is made to bring some systematics also in the evidence on excited-state giant resonances through the 1p shell region. The photonuclear GDR is compared with other giant multipole excitations, mostly for the example of the 14 C nucleus. (author)

Valencies of the lanthanides

OpenAIRE

Johnson, David A.; Nelson, Peter G.

2018-01-01

The valencies of the lanthanides vary more than was once thought. In addition to valencies associated with a half-full shell, there are valencies associated with a quarter- and three-quarter-full shell. This can be explained on the basis of Slater’s theory of many-electron atoms. The same theory explains the variation in complexing constants in the trivalent state (the “tetrad effect”). Valency in metallic and organometallic compounds is also discussed.

Core excitations across the neutron shell gap in 207Tl

Directory of Open Access Journals (Sweden)

E. Wilson

2015-07-01

Full Text Available The single closed-neutron-shell, one proton–hole nucleus 207Tl was populated in deep-inelastic collisions of a 208Pb beam with a 208Pb target. The yrast and near-yrast level scheme has been established up to high excitation energy, comprising an octupole phonon state and a large number of core excited states. Based on shell-model calculations, all observed single core excitations were established to arise from the breaking of the N=126 neutron core. While the shell-model calculations correctly predict the ordering of these states, their energies are compressed at high spins. It is concluded that this compression is an intrinsic feature of shell-model calculations using two-body matrix elements developed for the description of two-body states, and that multiple core excitations need to be considered in order to accurately calculate the energy spacings of the predominantly three-quasiparticle states.

Studies of spin excitations with electromagnetic and hadronic probes

International Nuclear Information System (INIS)

Lindgren, R.A.; Petrovich, F.

1982-01-01

Excitation of unnatural parity states, predominantly of high spin, using electromagnetic and hadronic probes, is discussed. Spectroscopic strengths are deduced from studies of (e,e'), (p,p'), (π.π'), and (p,n) for states whose doorway is the stretched particle-hole configuration. These levels are excited primarily through the isovector electromagnetic-nucleon magnetization coupling, nucleon-nucleon tensor coupling, and pion-nucleon spin-orbit coupling. The extracted isovector spectroscopic strength is typically 38% of the extreme single particle-hole model and about 66% of that predicted by more realistic nuclear structure calculations. The observed isoscalar strength is only about one half of the isovector strength. The results obtained with the three different probes are quite consistent. The primary conclusion is that the missing strength for these high spin excitations is at least as large as for the low spin M1 and GT excitations. This implies the existence of other important quenching mechanisms since the Δ-N -1 mechanism involved in the discussion of the low spin excitation affects only the isovector transitions and contributes little to high spin excitations. A method for using (e,e') and π + /π - cross section ratios to separate and determine the absolute isoscalar and isovector spin densities for T 0 to T 0 transitions in N is not equal to Z nuclei is also discussed and some comments on extracting information from (e,e') and (p,p') studies at high q on low spin 1 + and 2 - levels are presented. 78 references

One particle-hole excitations in p- and fp-shell nuclei

International Nuclear Information System (INIS)

Hees, A.G.M. van.

1982-01-01

Results are presented of shell model calculations of medium and light atomic nuclei. The influence of the allowance of one particle-hole excitations is investigated. This enables improved descriptions of intermediate mass nuclei in the fp-shell. For light p-shell nuclei one particle-hole excitations create exclusively situations with abnormal parity. The description of situations with normal parity is not changed by enlarging the model space. In the first chapter shell-model calculations are performed on the light Ni-isotopes (A = 57-59). One nucleon is allowed to be excited from the fsub(7/2) orbit to one of the other fp-shell orbits. The general observation in the enlarged model space is that one can use operators that require a much weaker 'renormalization' and the calculation requires only a selected set of matrix elements of the Hamiltonian. An additional advantage of the inclusion of one particle-hole excitations is that it allows a description of several intruder states, i.e. states that cannot be produced with the assumption of a closed 56 Ni core. In the second chapter the nuclei with mass number A = 52-55, i.e. a small number of holes in the 56 Ni core, are investigated similarly. In the third chapter much lighter nuclei (A = 4-16) are discussed. For a theoretical description of nonnormal-parity states one has to admit the excitation of at least one nucleon to a higher harmonic-oscillator major-shell. (Auth.)

Isovector resonances in pion charge exchange

International Nuclear Information System (INIS)

Bowman, J.D.

1985-01-01

The (π ± , π 0 ) reactions as probes of isovector resonances are discussed. Experimental observation of the isovector monopole resonance is reported. Experimental results are presented for L=0, 1, and 2 isovector resonances and are compared to random-phase approximation calculations. In the experiments 40 Ca, 60 Ni, 90 Zr, 120 Sn, 140 Ce, and 208 Pb, targets were bombarded with 165 MeV π ± beams. Neutral pions were detected and double differential cross sections were determined for angles between 0 and 33deg and for π 0 energies between 90, 180, and 230 MeV. (Auth.)

Spin-flip isovector giant resonances from the 90Zr (n,p) 90Y reaction at 200 MeV

International Nuclear Information System (INIS)

Raywood, K.J.; Spicer, B.M.

1989-01-01

Doubly differential cross sections of the reaction 90 Zr(n,p) 90 Y have been measured at 200 MeV for excitations up to 38 MeV in the residual nucleus. An overall resolution of 1.3 MeV was achieved. The spectra show qualitative agreement in shape and magnitude with recent RPA calculations; however all of the calculations underestimate the high excitation region of the spectra. A multipole decomposition of the data has been performed using differential cross sections calculated in the DWIA. An estimate of the Gamow-Teller strength in the reaction is given. The isovector spin-flip dipole giant resonance has been identified and there is also an indication of isovector monopole strength. 39 refs., 16 figs., 1 tab

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

Ground state energy fluctuations in the nuclear shell model

International Nuclear Information System (INIS)

Velazquez, Victor; Hirsch, Jorge G.; Frank, Alejandro; Barea, Jose; Zuker, Andres P.

2005-01-01

Statistical fluctuations of the nuclear ground state energies are estimated using shell model calculations in which particles in the valence shells interact through well-defined forces, and are coupled to an upper shell governed by random 2-body interactions. Induced ground-state energy fluctuations are found to be one order of magnitude smaller than those previously associated with chaotic components, in close agreement with independent perturbative estimates based on the spreading widths of excited states

Electronic excitation of some silicium compounds in the vacuum ultravi olet region

International Nuclear Information System (INIS)

Rocco, M.L.M.

1986-01-01

Angle-resolved electron energy-loss spectra have been measured for the tetramethylsilane, trimethylchlorosilane and dimethyldichloresilane molecules in the 5 - 300 eV energy range. The spectra have been obtained at 1 KeV incident energy, with an energy resolution of about 0.5 eV (valense region) and 0.8 eV (inner-shell region). Both the valence and core-level excitation bands can be as associated to transitions to Rydber and valence states. No dipole-allowed transition has been observed in the spectra measured in the angular range of 1 to 9 degrees (valence region) and 3 to 7 degrees (inner-shell region). (Author) [pt

Quantum electrodynamic corrections for the valence shell in heavy many-electron atoms

International Nuclear Information System (INIS)

Thierfelder, C.; Schwerdtfeger, P.

2010-01-01

We present quantum electrodynamic (QED) calculations within the picture of bound-state QED for the frequency-dependent Breit interaction between electrons, the vacuum polarization, and the electron self-energy correction starting from the Dirac-Coulomb Hamiltonian for the ionization potentials of the group 1, 2, 11, 12, 13, and 18 elements of the periodic table, and down to the superheavy elements up to nuclear charge Z=120. The results for the s-block elements are in very good agreement with earlier studies by Labzowsky et al. [Phys. Rev. A 59, 2707 (1999)]. We discuss the influence of the variational versus perturbative treatment of the Breit interaction for valence-space ionization potentials. We argue that the lowest-order QED contributions become as important as the Breit interaction for ionization potentials out of the valence s shell.

Orbital momentum distributions and binding energies for the complete valence shell of molecular iodine

International Nuclear Information System (INIS)

Grisogono, A.M.; Pascual, R.; Weigold, E.

1988-03-01

The complete valence shell binding energy spectrum (8-43eV) of I 2 has been measured by using electron momentum spectroscopy at 1000eV. The complete inner valence region, corresponding to ionization from the 10 σ u and 10 σ g orbitals, has been measured for the first time and shows extensive splitting of the ionization strength due to electron correlation effects in the ion. Many-body calculations using the Green's function method have been carried out and are compared with the data. Momentum distributions, measured in both the outer and inner valence regions, are compared with those given by SCF orbital wave functions calculated with a number of different basis sets. Computed orbital position and momentum density maps for oriented I 2 molecules are discussed in comparison with the measured and calculated spherically averaged momentum distributions

Observation of Rydberg transitions from the inner valence shell of ethane

International Nuclear Information System (INIS)

Dillon, M.A.; Tanaka, H.; Spence, D.

1987-01-01

The electron impact spectrum of ethane has been examined in a region that includes ionization out of the inner valence shell. One diffuse structure and a progression of ten vibrational bands have been found in a 4 eV range below and to some degree overlapping the 2 A 2 /sub u/ ion threshold. Evidence indicates that the observed transitions belong to the symmetry forbidden Rydberg series (2a 2 /sub u/) 2 →(2a 2 /sub u/, npσ or npπ)

Inner-shell excitation and ionic fragmentation of molecules

International Nuclear Information System (INIS)

Hitchcock, A.P.; Tyliszczak, T.; Cavell, R.G.

1997-01-01

Inner-shell excitation and associated decay spectroscopies are site specific probes of electronic and geometrical structure and photoionization dynamics. X-ray absorption probes the geometric and electronic structure, while time-of-flight mass spectrometry with multi-coincidence detection provides information on the photofragmentation dynamics of the initially produced inner-shell state. Auger decay of inner-shell excited and ionised states is an efficient source of multiply charged ions. The charge separation and fragmentation of these species, studied by photoelectron-photoion-photoion coincidence (also called charge separation mass spectrometry) gives insights into bonding and electronic structure. In molecules, the dependence of the fragmentation process on the X-ray energy can reveal cases of site and/or state selective fragmentation. At the ALS the authors have examined the soft X-ray spectroscopy and ionic fragmentation of a number of molecules, including carboranes, silylenes, phosphorus halides, SF 6 and CO 2 . Their work is illustrated using results from the carborane and PF 3 studies

Inner-shell excitation and ionic fragmentation of molecules

Energy Technology Data Exchange (ETDEWEB)

Hitchcock, A.P.; Tyliszczak, T. [McMaster Univ., Hamilton, Ontario (Canada); Cavell, R.G. [Univ. of Alberta, Edmonton (Canada)] [and others

1997-04-01

Inner-shell excitation and associated decay spectroscopies are site specific probes of electronic and geometrical structure and photoionization dynamics. X-ray absorption probes the geometric and electronic structure, while time-of-flight mass spectrometry with multi-coincidence detection provides information on the photofragmentation dynamics of the initially produced inner-shell state. Auger decay of inner-shell excited and ionised states is an efficient source of multiply charged ions. The charge separation and fragmentation of these species, studied by photoelectron-photoion-photoion coincidence (also called charge separation mass spectrometry) gives insights into bonding and electronic structure. In molecules, the dependence of the fragmentation process on the X-ray energy can reveal cases of site and/or state selective fragmentation. At the ALS the authors have examined the soft X-ray spectroscopy and ionic fragmentation of a number of molecules, including carboranes, silylenes, phosphorus halides, SF{sub 6} and CO{sub 2}. Their work is illustrated using results from the carborane and PF{sub 3} studies.

Shell evolution of stable N = 50-56 Zr and Mo nuclei with respect to low-lying octupole excitations

Energy Technology Data Exchange (ETDEWEB)

Gregor, E.T.; Scheck, M.; Chapman, R.; Gaffney, L.P.; Keatings, J.; Mashtakov, K.R.; O' Donnell, D.; Smith, J.F.; Spagnoletti, P.; Wiseman, C. [University of the West of Scotland, School of Engineering and Computing, Paisley (United Kingdom); SUPA, Scottish Universities Physics Alliance, Glasgow (United Kingdom); Thuerauf, M.; Werner, V. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany)

2017-03-15

For the N = 50-56 zirconium (Z = 40) and molybdenum (Z = 42) isotopes, the evolution of subshells is evaluated by extracting the effective single-particle energies from available particle-transfer data. The extracted systematic evolution of neutron subshells and the systematics of the excitation energy of the octupole phonons provide evidence for type-II shape coexistence in the Zr isotopes. Employing a simplistic approach, the relative effective single-particle energies are used to estimate whether the formation of low-lying octupole-isovector excitations is possible at the proposed energies. The results raise doubts about this assignment. (orig.)

Identification of the one-quadrupole phonon 21,ms+ state of 204Hg

Directory of Open Access Journals (Sweden)

R. Stegmann

2017-07-01

Full Text Available One-phonon states of vibrational nuclei with mixed proton–neutron symmetry have been observed throughout the nuclear chart besides the mass A≈200 region. Very recently, it has been proposed that the 22+ state of 212Po is of isovector nature. This nucleus has two valence protons and two valence neutrons outside the doubly-magic 208Pb nucleus. The stable isotope 204Hg, featuring two valence-proton and valence-neutron holes, with respect to 208Pb, is the particle-hole mirror of 212Po. In order to compare the properties of low-lying isovector excitations in these particle-hole mirror nuclei, we have studied 204Hg by using the projectile Coulomb-excitation technique. The measured absolute B(M1;22+→21+ strength of 0.20(2μN2 indicates that the 22+ level of 204Hg is at least the main fragment of the 21,ms+ state. For the first time in this mass region, both lowest-lying, one-quadrupole phonon excitations are established together with the complete set of their decay strengths. This allows for a microscopic description of their structures, achieved in the framework of the Quasi-particle Phonon Model.

Study of inner shell excitation effect on C-H dissociation in aromatic hydrocarbon solids

International Nuclear Information System (INIS)

Shimoyama, I.; Nakagawa, K.; Matsui, F.; Yoem, H.W.; Ohta, T.; Tanaka, S.; Mase, K.

2000-01-01

Since Carson et al. have reported the 'Coulomb Explosion' model, an inner shell excitation effect on dissociation is intensively attractive because multiply ionized states induced by Auger decay enhance dissociation. This effect on chemical reaction has been investigated especially for surface reaction processes such as desorption induced electron transition (DIET). Recently, some studies on DIET using monochromatic soft X-rays have reported that desorption yield depends on not only the repulsion energy but also the character of excited molecular orbital (MO). This means that inner shell resonant excitations to different MO result in different desorption. This Inner Shell Resonant Excitation Effect' is very interesting because it enables us to control photochemical reactions with synchrotron radiation. Two important problems lie ahead of us for application of this effect. One problem is secondary effect. When one irradiates soft X-rays to materials, following reaction includes two kinds of mixed effects; fundamental effect (FE) and secondary effect (SE). FE originates from interactions between photons and materials, while SE originates from interactions between secondary electrons and materials. Since the inner shell resonant excitation effect essentially originates from FE, it is important to know the ratio of FE to SE in a photochemical reaction in order to estimate true magnitude of the inner shell resonant excitation effect. The other problem is the difference between surface reaction and bulk reaction. Weather the bulk reaction shows inner shell excitation effect as well as the surface reaction does? Some studies of the inner shell excitation effect on damage in bulk have been reported. To our knowledge, however, there is no study which reports the difference between bulk and surface reaction. In this paper, we present two kinds of works with aromatic hydrocarbon compounds. First, we present photon stimulated ion desorption (PSID) on condensed benzene to study

Multi-photon excited luminescence of magnetic FePt core-shell nanoparticles.

Science.gov (United States)

Seemann, K M; Kuhn, B

2014-07-01

We present magnetic FePt nanoparticles with a hydrophilic, inert, and biocompatible silico-tungsten oxide shell. The particles can be functionalized, optically detected, and optically manipulated. To show the functionalization the fluorescent dye NOPS was bound to the FePt core-shell nanoparticles with propyl-triethoxy-silane linkers and fluorescence of the labeled particles were observed in ethanol (EtOH). In aqueous dispersion the NOPS fluorescence is quenched making them invisible using 1-photon excitation. However, we observe bright luminescence of labeled and even unlabeled magnetic core-shell nanoparticles with multi-photon excitation. Luminescence can be detected in the near ultraviolet and the full visible spectral range by near infrared multi-photon excitation. For optical manipulation, we were able to drag clusters of particles, and maybe also single particles, by a focused laser beam that acts as optical tweezers by inducing an electric dipole in the insulated metal nanoparticles. In a first application, we show that the luminescence of the core-shell nanoparticles is bright enough for in vivo multi-photon imaging in the mouse neocortex down to cortical layer 5.

Dynamics of solid inner-shell electrons in collisions with bare and dressed swift ions

International Nuclear Information System (INIS)

Montanari, C.C.; Miraglia, J. E.; Arista, N.R.

2002-01-01

We analyze the dynamical interactions of swift heavy projectiles and solid inner-shell electrons. The dielectric formalism employed to deal with the free-electron gas is extended to account for the core electrons, by using the local plasma approximation. Results for stopping power, energy straggling, and inner-shell ionization in collisions of bare ions with metals are displayed, showing very good accord with the experimental data. Simultaneous excitations of projectile and target electrons are also analyzed. In the high-energy range we find a similar contribution of target core and valence electrons to the probability of projectile-electron loss. The problem of no excitation threshold within the local plasma approximation and the possibility of collective excitations of the shells are discussed

Resonant Electron capture for be-like ions with K- and L- shell excitations

International Nuclear Information System (INIS)

Hanafy, H.

2005-01-01

Resonant electron capture in electron-ion collisions is known as dielectronic recombination (DR). It was proved that, DR dominants usually over radiative recombination (RR) at high energy. Since 1980's, DR is considered a very important process in thermal plasma. The DR is an effective process in self-cooling and ionization balance as well as plasma modeling. Experimental works are still carried out to understand the trends of DR process. In the present work, DR cross sections are calculated for Be-like ions with K- and L- shell excitations. It is found that, DR cross sections increase as the effective charge (Zeff) increases for both types of excitations. DR rates coefficient in case of L-shell excitation is found to be five times larger than that of K-shell excitation

Isospin invariant boson models for fp-shell nuclei

International Nuclear Information System (INIS)

Van Isacker, P.

1994-01-01

Isospin invariant boson models, IBM-3 and IBM-4, applicable in nuclei with neutrons and protons in the same valence shell, are reviewed. Some basic results related to these models are discussed: the mapping onto the shell model, the relation to Wigner's supermultiplet scheme, the boson-number and isospin dependence of parameters, etc. These results are examined for simple single-j shell situations (e.g. f 7/2 ) and their extension to the f p shell is investigated. Other extensions discussed here concern the treatment of odd-mass nuclei and the classification of particle-hole excitations in light nuclei. The possibility of a pseudo-SU(4) supermultiplet scheme in f p -shell nuclei is discussed. (author) 4 figs., 3 tabs., 23 refs

Correlated electron capture and inner-shell excitation measurements in ion-atom collisions

International Nuclear Information System (INIS)

Tanis, J.A.; Bernstein, E.M.; Clark, M.W.

1985-01-01

In an ion-atom collision projectile excitation and charge transfer (electron capture) may occur together in a single encounter. If the excitation and capture are correlated, then the process is called resonant transfer and excitation (RTE); if they are uncorrelated, then the process is termed nonresonant transfer and excitation (NTE). Experimental work to date has shown the existence of RTE and provided strong evidence for NTE. Results presented here provide information on the relative magnitudes of RTE and NTE, the charge state dependence of RTE, the effect of the target momentum distribution on RTE, the magnitude of L-shell RTE compared to K-shell RTE, and the target Z dependences of RTE and NTE. 15 refs., 5 figs

A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations

DEFF Research Database (Denmark)

Holland, D.M.P.; Shaw, D.A.; Stener, Mauro

2016-01-01

absorption bands due to excitation from the 1e00 or 6e0 orbitals. The interpretation of the experimental spectrum has been guided by transition energies and oscillator strengths, for Rydberg and valence states, calculated with the time-dependent version of density functional theory and with the coupled...... cluster linear response approach. The theoretical studies indicate that Rydberg/Rydberg and Rydberg/valence mixing is important....

Ground state and elementary excitations of a model valence-fluctuation system

International Nuclear Information System (INIS)

Brandow, B.H.

1979-01-01

The nature of the valence fluctuation problem is described, and motivations are given for an Anderson-lattice model Hamiltonian. A simple trial wave function is posed for the ground state, and the variational problem is solved. This demonstrates clearly that there is no Kondo-like divergence; the present concentrated Kondo problem is thus more simple mathematically than the sngle-impurity problem. Elementary excitations are studies by the Green's function techniques of Zubarev and Hubbard. Quenching of local moments and a large specific heat are found at low temperatures. The quasi-particle spectrum exhibits a gap, but epsilon/sub F/ does not lie in this gap. The insulation-like feature of SmB 6 , SmS, and TmSe at very low temperatures is explained in terms of a strongly reduced mobility for states near the gap, and reasons are given why this feature is not observed in other valence-fluctuation compounds. 73 references

Microscopical description of isovector collective Osup(+) states in atomic nuclei

International Nuclear Information System (INIS)

Chekanov, N.A.

1983-01-01

A microscopical consistent description of isobar-analogue states and isovector monopole giant resonances is given in framework of the random-phase theory. The necessary one-particle basis, including the continuous spectrum, is determined by solution of the Hartree-Fock equations with the effective Skyrme-type interaction. An important feature of such a description is an automatical fulfilment of the consistency conditions relating the shell potential, nuclear density and the residual interaction. Effects due to Coulomb interaction in nuclei are investigated, such as the Coulomb shift energies, isospin admixtures to the ground state of the parent nucleus. Transition densities for the analogue states are obtained. Numerical calculations have been performed in the coordinate space for a number of neutron-rich nuclei

Orbital momentum distribution and binding energies for the complete valence shell of molecular chlorine by electron momentum spectroscopy

International Nuclear Information System (INIS)

Frost, L.; Grisogono, A.M.; McCarthy, I.E.

1986-10-01

The complete valence shell binding energy spectrum (10-50 eV) of Cl 2 has been determined using electron momentum (binary (e,2e)) spectroscopy. The inner valence region, corresponding to 4σ u and 4σ g ionization, has been measured for the first time and shows extensive splitting of the ionization strength due to electron correlation effects. These measurements are compared with the results of many-body calculations using Green's function and CI methods employing unpolarised as well as polarised wave functions. Momentum distributions, measured in both the outer and inner valence regions, are compared with calculations using a range of unpolarised and polarised wave functions. Computed orbital density maps in momentum and position space for oriented Cl 2 molecules are discussed in comparison with the measured and calculated spherically averaged momentum distributions

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

Study of the N=40 shell by using Coulomb excitation

International Nuclear Information System (INIS)

Leenhardt, St.

2000-01-01

Two Coulomb excitation experiments on neutron rich exotic nuclei have been performed at GANIL. They allowed the measurement of the reduced transition probability B(E2) (from ground state to first excited state) of some nuclei around N = 40. This number, 40, is a half-magic number in the shell model. For nuclei with an important neutron excess, it is predicted that the shell closure is stronger at N = 40. The B(E2) is a good tool for testing this growing. We have measured, by using the LISE3 spectrometer and a γ multidetector, B(E2) of 68 Ni, 66 Ni and 72 Zn, unknown till now. We have used for the first time segmented germanium 'clovers' detector, for photon detection (v/c∼0.3). Results confirm the strong shell effect for 68 Ni. Indeed 68 Ni was shown to be the Nickel isotope with the lowest value of B(E2), and hence the most rigid isotope. Nevertheless it seems that the shell effect at N = 40 decreases rapidly, for other isotopes very close to 68 Ni(Z = 28) and N = 40). (authors)

Coulomb excitations for a short linear chain of metallic shells

Energy Technology Data Exchange (ETDEWEB)

Zhemchuzhna, Liubov, E-mail: lzhemchuzhna@unm.edu [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Center for High Technology Materials, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Gumbs, Godfrey [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Donostia International Physics Center (DIPC), P de Manuel Lardizabal, 4, 20018 San Sebastian, Basque Country (Spain); Iurov, Andrii [Center for High Technology Materials, University of New Mexico, Albuquerque, New Mexico 87106 (United States); Huang, Danhong [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Gao, Bo [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States)

2015-03-15

A self-consistent-field theory is given for the electronic collective modes of a chain containing a finite number, N, of Coulomb-coupled spherical two-dimensional electron gases arranged with their centers along a straight line, for simulating electromagnetic response of a narrow-ribbon of metallic shells. The separation between nearest-neighbor shells is arbitrary and because of the quantization of the electron energy levels due to their confinement to the spherical surface, all angular momenta L of the Coulomb excitations, as well as their projections M on the quantization axis, are coupled. However, for incoming light with a given polarization, only one angular momentum quantum number is usually required. Therefore, the electromagnetic response of the narrow-ribbon of metallic shells is expected to be controlled externally by selecting different polarizations for incident light. We show that, when N = 3, the next-nearest-neighbor Coulomb coupling is larger than its value if they are located at opposite ends of a right-angle triangle forming the triad. Additionally, the frequencies of the plasma excitations are found to depend on the orientation of the line joining them with respect to the axis of quantization since the magnetic field generated from the induced oscillating electric dipole moment on one sphere can couple to the induced magnetic dipole moment on another. Although the transverse inter-shell electromagnetic coupling can be modeled by an effective dynamic medium, the longitudinal inter-shell Coulomb coupling, on the other hand, can still significantly modify the electromagnetic property of this effective medium between shells.

Inner shell excitation in atoms and molecules by high resolution electron impact

International Nuclear Information System (INIS)

King, G.C.

1986-01-01

In this work an inner-shell spin-forbidden transition in N 2 and a parity-forbidden transition in Ar were studied. These transitions were observed by using incident electron energies as low as 1.15 times the excitation energy of the inner-shell states. (Auth.)

Iso-vector form factors of the delta and nucleon in QCD sum rules

International Nuclear Information System (INIS)

Ozpineci, A.

2012-01-01

Form factors are important non-perturbative properties of hadrons. They give information about the internal structure of the hadrons. In this work, iso-vector axial-vector and iso-vector tensor form factors of the nucleon and the iso-vector axial-vector Δ→N transition form factor calculations in QCD Sum Rules are presented.

K-shell excitation studied for H- and He-like bismuth ions in collisions with low-z target atoms

International Nuclear Information System (INIS)

Stoehlker, T.; Bosch, F.; Geissel, H.; Kozhuharov, C.; Ludziejewski, T.; Mokler, P.H.; Scheidenberger, C.; Stachura, Z.; Warczak, A.

1997-09-01

The formation of excited projectile states via Coulomb excitation is investigated for hydrogen- and helium-like bismuth projectiles (Z=83) in relativistic ion-atom collisions. The excitation process was unambiguously identified by observing the radiative decay of the excited levels to the vacant 1s shell in coincidence with ions that did not undergo charge exchange in the reaction target. In particular, owing to the large fine structure splitting of Bi, the excitation cross-sections to the various L-shell sublevels are determined separately. The results are compared with detailed relativistic calculations, showing that both the relativistic character of the bound-state wave-functions and the magnetic interaction are of considerable importance for the K-shell excitation process in high-Z ions like Bi. The experimental data confirm the result of the complete relativistic calculations, namely that the magnetic part of the Lienard-Wiechert interaction leads to a significant reduction of the K-shell excitation cross-section. (orig.)

Pairing correlations in N ∝Z pf-shell nuclei

International Nuclear Information System (INIS)

Langanke, K.; Dean, D.J.; Koonin, S.E.; Radha, P.B.

1997-01-01

We perform shell model Monte Carlo calculations to study pair correlations in the ground states of N=Z nuclei with masses A=48-60. We find that T=1, J π =0 + proton-neutron correlations play an important, and even dominant role, in the ground states of odd-odd N=Z nuclei, in agreement with experiment. By studying pairing in the ground states of 52-58 Fe, we observe that the isovector proton-neutron correlations decrease rapidly with increasing neutron excess. In contrast, both the proton, and trivially the neutron correlations increase as neutrons are added. We also study the thermal properties and the temperature dependence of pair correlations for 50 Mn and 52 Fe as exemplars of odd-odd and even-even N=Z nuclei. While for 52 Fe results are similar to those obtained for other even-even nuclei in this mass range, the properties of 50 Mn at low temperatures are strongly influenced by isovector neutron-proton pairing. In coexistence with these isovector pair correlations, our calculations also indicate an excess of isoscalar proton-neutron pairing over the mean-field values. The isovector neutron-proton correlations rapidly decrease with temperatures and vanish for temperatures above T=700 keV, while the isovector correlations among like-nucleons persist to higher temperatures. Related to the quenching of the isovector proton-neutron correlations, the average isospin decreases from 1, appropriate for the ground state, to 0 as the temperature increases. (orig.)

Excitation Potentials and Shell Corrections for the Elements Z2=20 to Z2=30

DEFF Research Database (Denmark)

Andersen, H.H.; Sørensen, H.; Vadja, P.

1969-01-01

Excitation potentials and shell corrections for the elements Z 2=20 to Z2=30 are evaluated from experimental stopping-power data for 5-12-MeV protons and deuterons. Use is made of Walske's K- and L-shell corrections and shell corrections calculated by Bonderup (1967) on the basis of the Thomas-Fe...... are found by means of Bonderup's shell corrections. Within the Z2 interval treated here, it is found that I/Z2 increases with increasing Z2, contrary to the general trend through the periodic system of elements......Excitation potentials and shell corrections for the elements Z 2=20 to Z2=30 are evaluated from experimental stopping-power data for 5-12-MeV protons and deuterons. Use is made of Walske's K- and L-shell corrections and shell corrections calculated by Bonderup (1967) on the basis of the Thomas...

Carbon K-shell excitation in small molecules by high-resolution electron impact

International Nuclear Information System (INIS)

Tronc, M.; King, G.C.; Read, F.H.

1979-01-01

The excitation of 1s carbon electrons has been observed in C0, CH 4 , CF4, C0 2 , COS, C 2 H 2 and C 2 H 4 by means of the electron energy-loss technique with high resolution (70 meV in the 300 eV excitation energy range) and at an incident electron energy of 1.5 keV. The energies, widths and vibrational structures of excited states corresponding to the promotion of 1s carbon electrons to unoccupied valence and Rydberg orbitals have been obtained. The validity of the equivalent-core model, and the role of resonances caused by potential barriers, are discussed. (author)

Isovector giant quadrupole resonance in 63Cu

International Nuclear Information System (INIS)

Wolynec, E.; Pastura, V.F.S.; Martins, M.N.

1988-01-01

The decay of the isovector E2 giant resonance in 63 Cu has been studied by measuring the (e,2n) cross section, in the incident electron energy range 22-45 MeV. The photodisintegration induced by bremsstrahlung was also measured. The electrodisintegration results have been analyzed using the distorted wave Born approximation E1 and E2 virtual photon spectra to obtain these multipole components in the corresponding (γ,2n) cross section. It is found that the isovector E2 giant resonance decays dominantly by two-neutron emission in 63 Cu. This decay channel exhausts 65 percent of the energy weighted E2 sum. (author0 [pt

Magnetic dipole excitations of 50Cr

Science.gov (United States)

Pai, H.; Beck, T.; Beller, J.; Beyer, R.; Bhike, M.; Derya, V.; Gayer, U.; Isaak, J.; Krishichayan, Kvasil, J.; Löher, B.; Nesterenko, V. O.; Pietralla, N.; Martínez-Pinedo, G.; Mertes, L.; Ponomarev, V. Yu.; Reinhard, P.-G.; Repko, A.; Ries, P. C.; Romig, C.; Savran, D.; Schwengner, R.; Tornow, W.; Werner, V.; Wilhelmy, J.; Zilges, A.; Zweidinger, M.

2016-01-01

The low-lying M 1 strength of the open-shell nucleus 50Cr has been studied with the method of nuclear resonance fluorescence up to 9.7 MeV using bremsstrahlung at the superconducting Darmstadt linear electron accelerator S-DALINAC and Compton backscattered photons at the High Intensity γ -ray Source (HI γ S ) facility between 6 and 9.7 MeV of the initial photon energy. Fifteen 1+ states have been observed between 3.6 and 9.7 MeV. Following our analysis the lowest 1+ state at 3.6 MeV can be considered as an isovector orbital mode with some spin admixture. The obtained results generally match the estimations and trends typical for the scissors-like mode. Detailed calculations within the Skyrme quasiparticle random-phase-approximation method and the large-scale shell model justify our conclusions. The calculated distributions of the orbital current for the lowest 1+-state suggest the schematic view of Lipparini and Stringari (isovector rotation-like oscillations inside the rigid surface) rather than the scissors-like picture of Lo Iudice and Palumbo. The spin M 1 resonance is shown to be mainly generated by spin-flip transitions between the orbitals of the f p shell.

Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering

Science.gov (United States)

Walt, Samuel G.; Bhargava Ram, Niraghatam; Atala, Marcos; Shvetsov-Shilovski, Nikolay I; von Conta, Aaron; Baykusheva, Denitsa; Lein, Manfred; Wörner, Hans Jakob

2017-01-01

Strong-field photoelectron holography and laser-induced electron diffraction (LIED) are two powerful emerging methods for probing the ultrafast dynamics of molecules. However, both of them have remained restricted to static systems and to nuclear dynamics induced by strong-field ionization. Here we extend these promising methods to image purely electronic valence-shell dynamics in molecules using photoelectron holography. In the same experiment, we use LIED and photoelectron holography simultaneously, to observe coupled electronic-rotational dynamics taking place on similar timescales. These results offer perspectives for imaging ultrafast dynamics of molecules on femtosecond to attosecond timescales. PMID:28643771

Resonant Excitation of a Truncated Metamaterial Cylindrical Shell by a Thin Wire Monopole

DEFF Research Database (Denmark)

Kim, Oleksiy S.; Erentok, Aycan; Breinbjerg, Olav

2009-01-01

A truncated metamaterial cylindrical shell excited by a thin wire monopole is investigated using the integral equation technique as well as the finite element method. Simulations reveal a strong field singularity at the edge of the truncated cylindrical shell, which critically affects the matching...

The shell model. Towards a unified description of nuclear structure

Energy Technology Data Exchange (ETDEWEB)

Poves, Alfredo [Departamento de Fisica Teorica, Universidad Autonoma Cantoblanco, 28049 - Madrid (Spain); Collaboration: La Direction des Sciences de la Matiere du CEA (FR); Le Fonds National de la Recherche Scientifique de Belgique (BE)

1998-12-31

In this series of lectures we present the foundations of the spherical shell model that we treat as an approximation to the exact solution of the full secular problem. We introduce the notions of valence space, effective interaction and effective operator. We analyse the structure of the realistic effective interactions, identifying their monopole part with the spherical mean field. The multipole Hamiltonian is shown to have a universal (simple) form that includes pairing (isovector and isoscalar), quadrupole, octupole, deca-pole, and ({sigma}{center_dot}{tau})({sigma}{center_dot}{tau}). We describe the methods of resolution of the secular problem, in particular the Lanczos method. The model is applied to the description of nuclear deformation and its relationship with the deformed mean field theories is studied. We propose a new symmetry, `quasi`-SU3, to understand deformation in the spherical basis. Finally, we discuss the domain of nuclei very far from the valley of {beta} stability, addressing the vanishing of some magic closures that can be explained in terms of intruder states. (author) 53 refs., 20 figs., 3 tabs.

The shell model. Towards a unified description of nuclear structure

International Nuclear Information System (INIS)

Poves, Alfredo

1998-01-01

In this series of lectures we present the foundations of the spherical shell model that we treat as an approximation to the exact solution of the full secular problem. We introduce the notions of valence space, effective interaction and effective operator. We analyse the structure of the realistic effective interactions, identifying their monopole part with the spherical mean field. The multipole Hamiltonian is shown to have a universal (simple) form that includes pairing (isovector and isoscalar), quadrupole, octupole, deca-pole, and (σ·τ)(σ·τ). We describe the methods of resolution of the secular problem, in particular the Lanczos method. The model is applied to the description of nuclear deformation and its relationship with the deformed mean field theories is studied. We propose a new symmetry, 'quasi'-SU3, to understand deformation in the spherical basis. Finally, we discuss the domain of nuclei very far from the valley of β stability, addressing the vanishing of some magic closures that can be explained in terms of intruder states. (author)

Outer-shell excitation and capture processes: Alignment and orientation effects

International Nuclear Information System (INIS)

Andersen, N.; Dowek, D.; Dubois, A.; Hansen, J.P.; Nielsen, S.E.

1990-01-01

This contribution outlines some ongoing activities within a joint programme of experimental and theoretical studies of outer-shell excitation and charge transfer processes in atomic collisions. The main emphasis is presently on alignment and orientation phenomena. The aim is to reveal the shape and dynamics of the electronic charge cloud as it develops in time along the trajectory, and to understand these phenomena in terms of the underlying, basic mechanisms responsible for collisional excitation and transfer. (orig.)

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.

Direct Electron Impact Excitation of Rydberg-Valence States of Molecular Nitrogen

Science.gov (United States)

Malone, C. P.; Johnson, P. V.; Liu, X.; Ajdari, B.; Muleady, S.; Kanik, I.; Khakoo, M. A.

2012-12-01

Collisions between electrons and neutral N2 molecules result in emissions that provide an important diagnostic probe for understanding the ionospheric energy balance and the effects of space weather in upper atmospheres. Also, transitions to singlet ungerade states cause N2 to be a strong absorber of solar radiation in the EUV spectral range where many ro-vibrational levels of these Rydberg-valence (RV) states are predissociative. Thus, their respective excitation and emission cross sections are important parameters for understanding the [N]/[N2] ratio in the thermosphere of nitrogen dominated atmospheres. The following work provides improved constraints on absolute and relative excitation cross sections of numerous RV states of N2, enabling more physically accurate atmospheric modeling. Here, we present recent integral cross sections (ICSs) for electron impact excitation of RV states of N2 [6], which were based on the differential cross sections (DCSs) derived from electron energy-loss (EEL) spectra of [5]. This work resulted in electronic excitation cross sections over the following measured vibrational levels: b 1Πu (v‧=0-14), c3 1Πu (v‧=0-3), o3 1Πu (v‧=0-3), b‧ 1Σu+ (v‧=0-10), c‧4 1Σu+ (v‧=0-3), G 3Πu (v‧=0-3), and F 3Πu (v‧=0-3). We further adjusted the cross sections of the RV states by extending the vibronic contributions to unmeasured v‧-levels via the relative excitation probabilities (REPs) as discussed in [6]. This resulted in REP-scaled ICSs over the following vibrational levels for the singlet ungerade states: b(0-19), c3(0-4), o3(0-4), b‧(0-16), and c‧4(0-8). Comparison of the ICSs of [6] with available EEL based measurements, theoretical calculations, and emission based work generally shows good agreement within error estimations, except with the recent reevaluation provided by [1]. Further, we have extended these results, using the recent EEL data of [3], to include the unfolding of better resolved features above ~13

Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

International Nuclear Information System (INIS)

Saraswati, Teguh Endah; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

2017-01-01

Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH 3 ). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory. (paper)

Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

Science.gov (United States)

Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

2017-01-01

Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.

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)

Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States.

Science.gov (United States)

Tajti, Attila; Szalay, Péter G

2016-11-08

Describing electronically excited states of molecules accurately poses a challenging problem for theoretical methods. Popular second order techniques like Linear Response CC2 (CC2-LR), Partitioned Equation-of-Motion MBPT(2) (P-EOM-MBPT(2)), or Equation-of-Motion CCSD(2) (EOM-CCSD(2)) often produce results that are controversial and are ill-balanced with their accuracy on valence and Rydberg type states. In this study, we connect the theory of these methods and, to investigate the origin of their different behavior, establish a series of intermediate variants. The accuracy of these on excitation energies of singlet valence and Rydberg electronic states is benchmarked on a large sample against high-accuracy Linear Response CC3 references. The results reveal the role of individual terms of the second order similarity transformed Hamiltonian, and the reason for the bad performance of CC2-LR in the description of Rydberg states. We also clarify the importance of the T̂ 1 transformation employed in the CC2 procedure, which is found to be very small for vertical excitation energies.

Ab initio valence calculations in chemistry

CERN Document Server

Cook, D B

1974-01-01

Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge

Meson-exchange-current corrections to magnetic moments in quantum hadrodynamics

International Nuclear Information System (INIS)

Morse, T.M.

1990-01-01

Corrections to the magnetic moments of the non-relativistic shell model (Schmidt lines) have a long history. In the early fifties calculations of pion exchange and core polarization contributions to nuclear magnetic moments were initiated. These calculations matured by the early eighties to include other mesons and the delta isobar. Relativistic nuclear shell model calculations are relatively recent. Meson exchange and the delta isobar current contributions to the magnetic moments of the relativistic shell model have remained largely unexplored. The disagreement between the valence values of spherical relativistic mean-field models and experiment was a major problem with early (1975-1985) quantum hydrodynamics (QHD) calculations of magnetic moments. Core polarization calculations (1986-1988) have been found to resolve the large discrepancy, predicting isoscalar magnetic moments to within typically five percent of experiment. The isovector magnetic moments, however, are about twice as far from experiment with an average discrepancy of about ten percent. The pion, being the lightest of the mesons, has historically been expected to dominate isovector corrections. Because this has been found to be true in non-relativistic calculations, the author calculated the pion corrections in the framework of QHD. The seagull and in-flight pion exchange current diagram corrections to the magnetic moments of eight finite nuclei (plus or minus one valence nucleon from the magic A = 16 and A = 40 doubly closed shell systems) are calculated in the framework of QHD, and compared with earlier non-relativistic calculations and experiment

Theoretical study of singlet oxygen molecule generation via an exciplex with valence-excited thiophene.

Science.gov (United States)

Sumita, Masato; Morihashi, Kenji

2015-02-05

Singlet-oxygen [O2((1)Δg)] generation by valence-excited thiophene (TPH) has been investigated using multireference Møller-Plesset second-order perturbation (MRMP2) theory of geometries optimized at the complete active space self-consistent field (CASSCF) theory level. Our results indicate that triplet TPH(1(3)B2) is produced via photoinduced singlet TPH(2(1)A1) because 2(1)A1 TPH shows a large spin-orbit coupling constant with the first triplet excited state (1(3)B2). The relaxed TPH in the 1(3)B2 state can form an exciplex with O2((3)Σg(-)) because this exciplex is energetically more stable than the relaxed TPH. The formation of the TPH(1(3)B2) exciplex with O2((3)Σg(-)) whose total spin multiplicity is triplet (T1 state) increases the likelihood of transition from the T1 state to the singlet ground or first excited singlet state. After the transition, O2((1)Δg) is emitted easily although the favorable product is that from a 2 + 4 cycloaddition reaction.

Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines

Energy Technology Data Exchange (ETDEWEB)

Booth, Corwin H.; Kazhdan, Daniel; Werkema, Evan L.; Walter, Marc D.; Lukens, Wayne W.; Bauer, Eric D.; Hu, Yung-Jin; Maron, Laurent; Eisenstein, Odile; Head-Gordon, Martin; Andersen, Richard A.

2011-01-25

Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2} Yb(Me{sub x}-bipy). In contrast to Cp*{sub 2} Yb(bipy) and other substituted-bipy complexes, the nature of both the ground state and the first excited state are altered by changing the position of the methyl or dimethyl substitutions on the bipyridine rings. In particular, certain substitutions result in multiconfigurational, intermediate valent open-shell singlet states in both the ground state and the first excited state. These conclusions are reached after consideration of single-crystal x-ray diffraction (XRD), the temperature dependence of x-ray absorption near-edge structure (XANES), extended x-ray absorption fine-structure (EXAFS), and magnetic susceptibility data, and are supported by CASSCF-MP2 calculations. These results place the various Cp*{sub 2}Yb(bipy) complexes in a new tautomeric class, that is, intermediate-valence tautomers.

Excited meson spectroscopy with two chirally improved quarks

Science.gov (United States)

Engel, G.; Lang, C. B.; Mohler, D.; Limmer, M.; Schäfer, A.

The excited isovector meson spectrum is explored using two chirally improved dynamical quarks. Seven ensembles, with pion masses down to \\approx 250 MeV are discussed and used for extrapolations to the physical point. Strange mesons are investigated using partially quenched s-quarks. Using the variational method, we extract excited states in several channels and most of the results are in good agreement with experiment.

Study of the N=40 shell by using Coulomb excitation; Etude par excitation coulombienne de la fermeture de couche N=40

Energy Technology Data Exchange (ETDEWEB)

Leenhardt, St

2000-01-01

Two Coulomb excitation experiments on neutron rich exotic nuclei have been performed at GANIL. They allowed the measurement of the reduced transition probability B(E2) (from ground state to first excited state) of some nuclei around N = 40. This number, 40, is a half-magic number in the shell model. For nuclei with an important neutron excess, it is predicted that the shell closure is stronger at N = 40. The B(E2) is a good tool for testing this growing. We have measured, by using the LISE3 spectrometer and a {gamma} multidetector, B(E2) of {sup 68}Ni, {sup 66}Ni and {sup 72}Zn, unknown till now. We have used for the first time segmented germanium 'clovers' detector, for photon detection (v/c{approx}0.3). Results confirm the strong shell effect for {sup 68}Ni. Indeed {sup 68}Ni was shown to be the Nickel isotope with the lowest value of B(E2), and hence the most rigid isotope. Nevertheless it seems that the shell effect at N = 40 decreases rapidly, for other isotopes very close to {sup 68}Ni(Z = 28) and N = 40). (authors)

Experimental investigation shell model excitations of 89Zr up to high spin and its comparison with 88,90Zr

International Nuclear Information System (INIS)

Saha, S.; Palit, R.; Sethi, J.

2012-01-01

The excited states of nuclei near N=50 closed shell provide suitable laboratory for testing the interactions of shell model states, possible presence of high spin isomers and help in understanding the shape transition as the higher orbitals are occupied. In particular, the structure of N = 49 isotones (and Z =32 to 46) with one hole in N=50 shell gap have been investigated using different reactions. Interestingly, the high spin states in these isotones have contribution from particle excitations across the respective proton and neutron shell gaps and provide suitable testing ground for the prediction of shell model interactions describing theses excitations across the shell gap. In the literature, extensive study of the high spin states of heavier N = 49 isotones starting with 91 Mo up to 95 Pd are available. Limited information existed on the high spin states of lighter isotones. Therefore, the motivation of the present work is to extend the high spin structure of 89 Zr and to characterize the structure of these levels through comparison with the large scale shell model calculations based on two new residual interactions in f 5/2 pg 9/2 model space

Shell Model Far From Stability: Island of Inversion Mergers

Science.gov (United States)

Nowacki, F.; Poves, A.

2018-02-01

In this study we propose a common mechanism for the disappearance of shell closures far from stabilty. With the use of Large Scale Shell Model calculations (SM-CI), we predict that the region of deformation which comprises the heaviest Chromium and Iron isotopes at and beyond N=40 will merge with a new one at N=50 in an astonishing parallel to the N=20 and N=28 case in the Neon and Magnesium isotopes. We propose a valence space including the full pf-shell for the protons and the full sdg shell for the neutrons, which represents a come-back of the the harmonic oscillator shells in the very neutron rich regime. Our calculations preserve the doubly magic nature of the ground state of 78Ni, which, however, exhibits a well deformed prolate band at low excitation energy, providing a striking example of shape coexistence far from stability. This new Island of Inversion (IoI) adds to the four well documented ones at N=8, 20, 28 and 40.

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.

Electron spectroscopy studies of argon K-shell excitation and vacancy cascades

International Nuclear Information System (INIS)

Southworth, S.H.; MacDonald, M.A.; LeBrun, T.; Azuma, Y.; Cooper, J.W.

1995-01-01

Electron spectroscopy combined with tunable synchrotron radiation has been used for studies of Ar K-shell excitation and vacancy decay processes. In addition, electrons and fluorescent X-rays have been recorded in coincidence to select subsets of the ejected electron spectra. Examples are presented for Ar 1s photoelectrons and KLL and LMM Auger spectra

Elementary isovector spin and orbital magnetic dipole modes revisited in the shell model

International Nuclear Information System (INIS)

Richter, A.

1988-08-01

A review is given on the status of mainly spin magnetic dipole modes in some sd- and fp-shell nuclei studied with inelastic electron and proton scattering, and by β + -decay. Particular emphasis is also placed on a fairly new, mainly orbital magnetic dipole mode investigated by high-resolution (e,e') and (p,p') scattering experiments on a series of fp-shell nuclei. Both modes are discussed in terms of the shell model with various effective interactions. (orig.)

Interplay between collective and single particle excitations around neutron-rich doubly-magic nuclei

Directory of Open Access Journals (Sweden)

Leoni S.

2016-01-01

Full Text Available The excitation spectra of nuclei with one or two particles outside a doubly-magic core are expected to be dominated, at low energy, by the couplings between phonon excitations of the core and valence particles. A survey of the experimental situation is given for some nuclei lying in close proximity of neutron-rich doubly-magic systems, such as 47,49Ca, 133Sb and 210Bi. Data are obtained with various types of reactions (multinucleon transfer with heavy ions, cold neutron capture and neutron induced fission of 235U and 241Pu targets, with the employment of complex detection systems based on HPGe arrays. A comparison with theoretical calculations is also presented, in terms of large shell model calculations and of a phenomenological particle-phonon model. In the case of 133Sb, a new microscopic “hybrid” model is introduced: it is based on the coupling between core excitations (both collective and non-collective of the doubly-magic core and the valence nucleon, using the Skyrme effective interaction in a consistent way.

Interplay between collective and single particle excitations around neutron-rich doubly-magic nuclei

Science.gov (United States)

Leoni, S.

2016-05-01

The excitation spectra of nuclei with one or two particles outside a doubly-magic core are expected to be dominated, at low energy, by the couplings between phonon excitations of the core and valence particles. A survey of the experimental situation is given for some nuclei lying in close proximity of neutron-rich doubly-magic systems, such as 47,49Ca, 133Sb and 210Bi. Data are obtained with various types of reactions (multinucleon transfer with heavy ions, cold neutron capture and neutron induced fission of 235U and 241Pu targets), with the employment of complex detection systems based on HPGe arrays. A comparison with theoretical calculations is also presented, in terms of large shell model calculations and of a phenomenological particle-phonon model. In the case of 133Sb, a new microscopic "hybrid" model is introduced: it is based on the coupling between core excitations (both collective and non-collective) of the doubly-magic core and the valence nucleon, using the Skyrme effective interaction in a consistent way.

Structure of the nucleon's low-lying excitations

Science.gov (United States)

Chen, Chen; El-Bennich, Bruno; Roberts, Craig D.; Schmidt, Sebastian M.; Segovia, Jorge; Wan, Shaolong

2018-02-01

A continuum approach to the three valence-quark bound-state problem in quantum field theory is used to perform a comparative study of the four lightest (I =1 /2 ,JP=1 /2±) baryon isospin doublets in order to elucidate their structural similarities and differences. Such analyses predict the presence of nonpointlike, electromagnetically active quark-quark (diquark) correlations within all baryons; and in these doublets, isoscalar-scalar, isovector-pseudovector, isoscalar-pseudoscalar, and vector diquarks can all play a role. In the two lightest (1 /2 ,1 /2+) doublets, however, scalar and pseudovector diquarks are overwhelmingly dominant. The associated rest-frame wave functions are largely S -wave in nature; and the first excited state in this 1 /2+ channel has the appearance of a radial excitation of the ground state. The two lightest (1 /2 ,1 /2-) doublets fit a different picture: accurate estimates of their masses are obtained by retaining only pseudovector diquarks; in their rest frames, the amplitudes describing their dressed-quark cores contain roughly equal fractions of even- and odd-parity diquarks; and the associated wave functions are predominantly P -wave in nature, but possess measurable S -wave components. Moreover, the first excited state in each negative-parity channel has little of the appearance of a radial excitation. In quantum field theory, all differences between positive- and negative-parity channels must owe to chiral symmetry breaking, which is overwhelmingly dynamical in the light-quark sector. Consequently, experiments that can validate the contrasts drawn herein between the structure of the four lightest (1 /2 ,1 /2±) doublets will prove valuable in testing links between emergent mass generation and observable phenomena and, plausibly, thereby revealing dynamical features of confinement.

Excitation and photon decay of giant multipole resonances

International Nuclear Information System (INIS)

Bertrand, F.E.; Beene, J.R.

1990-01-01

A brief review of the excitation of giant multipole resonances via Coulomb excitation is given which emphasizes the very large cross sections that can be realized through this reaction for both isoscalar and isovector resonances. Discussion and results where available, are provide for the measurement of the photon decay of one and two phonon giant resonances. It is pointed out throughout the presentation that the use of E1 photons as a ''tag'' provides a means to observe weakly excited resonances that cannot be observed in the singles spectra. 14 refs., 12 figs., 1 tab

Particle-hole calculation of the isobaric analog and isovector monopole resonances

International Nuclear Information System (INIS)

Auerbach, N.; Nguyen Van Giai

1977-06-01

The correlated proton particle-neutron hole spectrum is calculated for N>Z nuclei using a Skyrme type interaction and the response function method. The basis of the calculation is a complete one particle-one hole space with the continuum included. As a result the distribution of the isovector monopole strength in the analog nucleus is obtained. This distribution has a narrow peak which corresponds to the isobaric analog resonance and at higher energies a broad peak which is the isovector monopole resonance. The coupling between these two states is inherent in the calculation

Single photon simultaneous K-shell ionization and K-shell excitation. I. Theoretical model applied to the interpretation of experimental results on H2O

International Nuclear Information System (INIS)

Carniato, S.; Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Žitnik, M.; Bučar, K.; Nakano, M.; Hikosaka, Y.; Ito, K.

2015-01-01

We present in detail a theoretical model that provides absolute cross sections for simultaneous core-ionization core-excitation (K −2 V ) and compare its predictions with experimental results obtained on the water molecule after photoionization by synchrotron radiation. Two resonances of different symmetries are assigned in the main K −2 V peak and comparable contributions from monopolar (direct shake-up) and dipolar (conjugate shake-up) core-valence excitations are identified. The main peak is observed with a much greater width than the total experimental resolution. This broadening is the signature of nuclear dynamics

Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces.

Science.gov (United States)

Patrick, Christopher E; Giustino, Feliciano

2012-09-14

Investigating quasiparticle excitations of molecules on surfaces through photoemission spectroscopy forms a major part of nanotechnology research. Resolving spectral features at these interfaces requires a comprehensive theory of electron removal and addition processes in molecules and solids which captures the complex interplay of image charges, thermal effects, and configurational disorder. Here, we develop such a theory and calculate the quasiparticle energy-level alignment and the valence photoemission spectrum for the prototype biomimetic solar cell interface between anatase TiO(2) and the N3 chromophore. By directly matching our calculated photoemission spectrum to experimental data, we clarify the atomistic origin of the chromophore peak at low binding energy. This case study sets a new standard in the interpretation of photoemission spectroscopy at complex chromophore-semiconductor interfaces.

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

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2016-06-14

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

Valence and inner-valence shell dissociative photoionization of CO in the 26-33 eV range. II. Molecular-frame and recoil-frame photoelectron angular distributions

DEFF Research Database (Denmark)

Lebech, M.; Houver, J.C.; Raseev, G.

2012-01-01

Experimental and theoretical results for molecular-frame photoemission are presented for inner-valence shell photoionization of the CO molecule induced by linearly and circularly polarized light. The experimental recoil frame photoelectron angular distributions (RFPADs) obtained from dissociative...... photoionization measurements where the velocities of the ionic fragment and photoelectron were detected in coincidence, are compared to RFPADs computed using the multichannel Schwinger configuration interaction method. The formalism for including a finite lifetime of the predissociative ion state is presented...... for the case of general elliptically polarized light, to obtain the RFPAD rather than the molecular frame photoelectron angular distribution (MFPAD), which would be obtained with the assumption of instantaneous dissociation. We have considered photoionization of CO for the photon energies of 26.0 eV, 29.5 e...

Strength function for the giant isovector monopole resonance

International Nuclear Information System (INIS)

MacDonald, W.M.; Birse, M.C.

1984-01-01

The theory of the strength function for giant resonances is extended to exhibit the explicit energy dependence of the width and shift functions for the giant isovector monopole. An integral sum rule on the width GAMMA/sub M/(E) relates its normalization to the second moment M 2 of the strength function and leads to a relation GAMMA/sub M/(E/sub M/)GAMMA/sub s//4 = M 2 between M 2 and the width at the maximum, which involves the width GAMMA/sub s/ of the distribution in energy of the spreading matrix elements. An estimate of GAMMA/sub M/(E/sub M/)approx. =8 MeV based on the absorptive part of the optical potential together with random-phase approximation calculations of M 2 leads to the result GAMMA/sub s//2approx. =2hω, supporting the intermediate coupling model of Lane, Thomas, and Wigner. Using the sum rule expressions of Lane and Mekjian to evaluate the Coulomb matrix element M/sub A/M between an isobaric analog state and its corresponding isovector monopole, we test this strength function for the isovector monopole by calculating the spreading widths for the ground state analogs of nuclei from 38 Cl to 208 Pb. The good agreement with the systematic dependence upon mass number and isospin resolves the long-standing discrepancy between the estimate GAMMA/sub M/(E/sub M/)approx.8--10 MeV and the value GAMMA/sub M/(E/sub A/)< or =2 MeV needed to account for the spreading widths of the isobaric analog state

Derivative corrections to the symmetry energy and the isovector dipole-resonance structure in nuclei

International Nuclear Information System (INIS)

Blocki, J P; Magner, A G; Ring, P

2015-01-01

The effective surface approximation is extended accounting for derivatives of the symmetry energy density per particle. The new expressions for the isovector surface energy constants are used for calculations of improved energies and sum rules of the isovector dipole-resonance strength structure within the Fermi-liquid droplet model. Our results are in reasonable agreement with experimental data and with other theoretical approaches. (paper)

Finite temperature effects on monopole and dipole excitations

International Nuclear Information System (INIS)

Niu, Y F; Paar, N; Vretenar, D; Meng, J

2011-01-01

The relativistic random phase approximation based on effective Lagrangian with density dependent meson-nucleon couplings has been extended to finite temperature and employed in studies of multipole excitations within the temperature range T = 1 - 2 MeV. The model calculations showed that isoscalar giant monopole and isovector giant dipole resonances are only slightly modified with temperature, but additional transition strength appears at low energies because of thermal unblocking of single-particle orbitals close to the Fermi level. The analysis of low-lying states shows that isoscalar monopole response in 132 Sn results from single particle transitions, while the isovector dipole strength for 60 Ni, located around 10 MeV, is composed of several single particle transitions, accumulating a small degree of collectivity.

Valence QCD: Connecting QCD to the quark model

International Nuclear Information System (INIS)

Liu, K.F.; Dong, S.J.; Draper, T.; Sloan, J.; Leinweber, D.; Woloshyn, R.M.

1999-01-01

A valence QCD theory is developed to study the valence quark properties of hadrons. To keep only the valence degrees of freedom, the pair creation through the Z graphs is deleted in the connected insertions, whereas the sea quarks are eliminated in the disconnected insertions. This is achieved with a new 'valence QCD' Lagrangian where the action in the time direction is modified so that the particle and antiparticle decouple. It is shown in this valence version of QCD that the ratios of isovector to isoscalar matrix elements (e.g., F A /D A and F S /D S ratios) in the nucleon reproduce the SU(6) quark model predictions in a lattice QCD calculation. We also consider how the hadron masses are affected on the lattice and discover new insights into the origin of dynamical mass generation. It is found that, within statistical errors, the nucleon and the Δ become degenerate for the quark masses we have studied (ranging from 1 to 4 times the strange mass). The π and ρ become nearly degenerate in this range. It is shown that valence QCD has the C, P, T symmetries. The lattice version is reflection positive. It also has the vector and axial symmetries. The latter leads to a modified partially conserved axial Ward identity. As a result, the theory has a U(2N F ) symmetry in the particle-antiparticle space. Through lattice simulation, it appears that this is dynamically broken down to U q (N F )xU bar q (N F ). Furthermore, the lattice simulation reveals spin degeneracy in the hadron masses and various matrix elements. This leads to an approximate U q (2N F )xU bar q (2N F ) symmetry which is the basis for the valence quark model. In addition, we find that the masses of N, Δ,ρ,π,a 1 , and a 0 all drop precipitously compared to their counterparts in the quenched QCD calculation. This is interpreted as due to the disappearance of the 'constituent' quark mass which is dynamically generated through tadpole diagrams. The origin of the hyperfine splitting in the baryon is

A valence-universal coupled-cluster single- and double-excitations method for atoms: Pt. 3

International Nuclear Information System (INIS)

Jankowski, K.; Malinowski, P.

1994-01-01

To better understand the problems met when solving the equations of VU-CC approaches in the presence of intruder states, we are concerned with the following aspects of the solvability problem for sets of non-linear equations: the existence and properties of multiple solutions and the attainability of these solutions by means of various numerical methods. Our study is concentrated on the equations obtained for Be within the framework of the recently formulated atomically oriented form of the valence-universal coupled-cluster theory accounting for one- and two-electron excitations (VU-CCSD/R) and based on the complete model space (2s 2 , 2p 2 ). Six pairs of multiple solutions representing four 1 S states are found and discussed. Three of these solutions provide amplitudes describing the 2p 2 1 S state for which the intruder state problem has been considered as extremely serious. Several known numerical methods have been applied to solve the same set of non-linear equations for the two-valence cluster amplitudes. It is shown that these methods perform quite differently in the presence of intruder states, which seems to indicate that the intruder state problem for VU-CC methods is partly caused by the commonly used methods of solving the non-linear equations. (author)

The rho-exchange isovector parity-violating potential

International Nuclear Information System (INIS)

McKellar, B.H.J.

1979-01-01

It is shown that the rho-exchange isovector parity-violating potential is constrained by PCAC to be much weaker than the π-exchange potential and much weaker than recently proposed by Galic et al (J. Phys. G.; 5: L113 (1979)). This potential does not therefore provide a mechanism for suppressing enhanced neutral-current effects in the π-exchange potential. (author)

High-spin isomers in 212Rn in the region of triple neutron core-excitations

Science.gov (United States)

Dracoulis, G. D.; Lane, G. J.; Byrne, A. P.; Davidson, P. M.; Kibédi, T.; Nieminen, P.; Watanabe, H.; Wilson, A. N.

2008-04-01

The level scheme of 212Rn has been extended to spins of ∼ 38 ℏ and excitation energies of about 13 MeV using the 204Hg(13C, 5n)212Rn reaction and γ-ray spectroscopy. Time correlated techniques have been used to obtain sensitivity to weak transitions and channel selectivity. The excitation energy of the 22+ core-excited isomer has been established at 6174 keV. Two isomers with τ = 25 (2) ns and τ = 12 (2) ns are identified at 12211 and 12548 keV, respectively. These are the highest-spin nuclear isomers now known, and are attributed to configurations involving triple neutron core-excitations coupled to the aligned valence protons. Semi-empirical shell-model calculations can account for most states observed, but with significant energy discrepancies for some configurations.

High-spin isomers in 212Rn in the region of triple neutron core-excitations

International Nuclear Information System (INIS)

Dracoulis, G.D.; Lane, G.J.; Byrne, A.P.; Davidson, P.M.; Kibedi, T.; Nieminen, P.; Watanabe, H.; Wilson, A.N.

2008-01-01

The level scheme of 212 Rn has been extended to spins of ∼38h and excitation energies of about 13 MeV using the 204 Hg( 13 C, 5n) 212 Rn reaction and γ-ray spectroscopy. Time correlated techniques have been used to obtain sensitivity to weak transitions and channel selectivity. The excitation energy of the 22 + core-excited isomer has been established at 6174 keV. Two isomers with τ=25(2) ns and τ=12(2) ns are identified at 12211 and 12548 keV, respectively. These are the highest-spin nuclear isomers now known, and are attributed to configurations involving triple neutron core-excitations coupled to the aligned valence protons. Semi-empirical shell-model calculations can account for most states observed, but with significant energy discrepancies for some configurations

Influence of changes in the valence electronic configuration on the structure of L-X-ray spectra of molybdenum

International Nuclear Information System (INIS)

Polasik, M; Koziol, K; Slabkowska, K; Czarnota, M; Pajek, M

2009-01-01

Extensive multiconfiguration Dirac-Fock (MCDF) calculations with the inclusion of the transverse (Breit) interaction and QED corrections have been carried out on molybdenum to explain the dependence of the structure of Lα 1,2 and Lβ 1 lines on the changes in configurations of the valence electrons belonging to two different configuration types: three open-shell 4d 6-r 5s r (r = 2,1,0) configurations and one closed-shell 4d 4 3/2 5s 2 configuration. It has been found that the MCDF predictions for open-shell valence configurations (4d 4 5s 2 , 4d 5 5s 1 , 4d 6 5s 0 ) much better reproduce observed structure of Lα 1,2 lines in X-ray spectra of molybdenum than closed-shell 4d 4 3/2 5s 2 valence configuration. The influence of changes in the valence electronic configuration on the structure of L-X-ray spectra of molybdenum is noticeable. Moreover, the observation of the shapes of L-X-ray spectra seems to be very good method to investigate the changes of the valence electronic configuration caused by the chemical environment.

Analytical solutions to the electromagnetic field in a cylindrical shell excited by external axial current

International Nuclear Information System (INIS)

Jing, Wu; Chun-Yan, Xiao

2010-01-01

The solutions to the electromagnetic field excited by a long axial current outside a conductive and magnetic cylindrical shell of finite length are studied in this paper. The more accurate analytical solutions are obtained by solving the proper boundary value problems by the separation variable method. Then the solutions are simplified according to asymptotic formulas of Bessel functions. Compared with the accurate solutions, the simplified solutions do not contain the Bessel functions and the inverse operation of the singular matrix, and can be calculated out fast by computers. The simplified solutions are more suitable for the cylindrical shell of high permeability and conductivity excited by a high frequency source. Both of the numerical results and the physical experimental results validate the simplified solutions obtained. (classical areas of phenomenology)

Dynamic Isovector Reorientation of Deuteron as a Probe to Nuclear Symmetry Energy.

Science.gov (United States)

Ou, Li; Xiao, Zhigang; Yi, Han; Wang, Ning; Liu, Min; Tian, Junlong

2015-11-20

We present the calculations on a novel reorientation effect of deuteron attributed to isovector interaction in the nuclear field of heavy target nuclei. The correlation angle determined by the relative momentum vector of the proton and the neutron originating from the breakup deuteron, which is experimentally detectable, exhibits significant dependence on the isovector nuclear potential but is robust against the variation of the isoscaler sector. In terms of sensitivity and cleanness, the breakup reactions induced by the polarized deuteron beam at about 100 MeV/u provide a more stringent constraint to the symmetry energy at subsaturation densities.

Shell structure in the vicinity of the doubly magic {sup 100}Sn via Coulomb excitation at PreSPEC

Energy Technology Data Exchange (ETDEWEB)

Guastalla, Giulia

2014-11-17

The PreSPEC setup in combination with the high intensity primary beams available at GSI provided unique opportunities for the key nuclear structure studies on exotic nuclei. The experiment performed on the neutron deficient {sup 104}Sn aimed to deduce the reduced transition probability of the first excited 2{sup +} state quantified by the B(E2; 0{sup +} → 2{sup +}) value. This result is the central point in the discussion of the evolution of nuclear structure in proximity of the doubly magic nucleus {sup 100}Sn. As {sup 100}Sn is not yet accessible for such measurements, a series of experiments have been performed for neutron-deficient Sn isotopes over the past few years. These data showed excessive experimental B(E2) strength compared to shell model calculations below neutron number N=64 and they are therefore not excluding a constant or even increasing collectivity below {sup 106}Sn. Hence, the measurement of the B(E2) value in the next even-even isotope toward {sup 100}Sn, i.e. {sup 104}Sn, was a crucial step to verify the robustness of the shell gap of {sup 100}Sn. Moreover, {sup 104}Sn is the heaviest isotope of the Sn isotopic chain for which a shell model calculation without significant truncation of the valence space can be performed and therefore with this experimental value the validity of Large Scale Shell Model (LSSM) calculations could be tested. As a main result of the experiment a B(E2) value corresponding to 0.10(4) e{sup 2}b{sup 2} has been extracted for {sup 104}Sn. The experimental value showed a very good agreement with the predicted one and, despite the large error bar, it clearly established a downward trend of the B(E2) values of the Sn isotopic chain toward A=100. This implied enhanced stability of the N = Z = 50 shell closure against ph-excited quadrupole modes. However, an experiment of this kind is very challenging for several reasons. First, {sup 104}Sn lies in proximity of the proton drip line and has therefore a small production

Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine

Energy Technology Data Exchange (ETDEWEB)

Zheng, Y.; Brion, C.E. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Chemistry; Brunger, M.J.; Zhao, K.; Grisogono, A.M.; Braidwood, S.; Weigold, E. [Flinders Univ. of South Australia, Adelaide, SA (Australia). Electronic Structure of Materials Centre; Chakravorty, S.J.; Davidson, E.R. [Indiana Univ., Bloomington, IN (United States). Dept. of Chemistry; Sgamellotti, A. [Univ di Perugia (Italy). Dipartimento di Chimica; von Niessen, W. [Technische Univ. Braunschweig (Germany). Inst fuer Physikalische

1996-01-01

The first electronic structural study of the complete valence shell binding energy spectrum of molecular fluorine, encompassing both the outer and inner valence regions, is reported. These binding energy spectra as well as the individual orbital momentum profiles have been measured using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1500 eV, with an energy resolution of 1.5 eV and a momentum resolution of 0.1 a.u. The measured binding energy spectra in the energy range of 14-60 eV are compared with the results of ADC(4) many-body Green`s function and also direct-Configuration Interaction (CI) and MRSD-CI calculations. The experimental orbital electron momentum profiles are compared with SCF theoretical profiles calculated using the target Hartree-Fock approximation with a range of basis sets and with Density Functional Theory predictions in the target Kohn-Sham approximation with non-local potentials. The truncated (aug-cc-pv5z) Dunning basis sets were used for the Density Functional Theory calculations which also include some treatment of correlation via the exchange and correlation potentials. Comparisons are also made with the full ion-neutral overlap amplitude calculated with MRSD-CI wave functions. Large, saturated basis sets (199-GTO) were employed for both the high level SCF near Hartree-Fock limit and MRSD-CI calculations to investigate the effects of electron correlation and relaxation. 66 refs., 9 tabs., 9 figs.

Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine

International Nuclear Information System (INIS)

Zheng, Y.; Brion, C.E.; Brunger, M.J.; Zhao, K.; Grisogono, A.M.; Braidwood, S.; Weigold, E.; Chakravorty, S.J.; Davidson, E.R.; Sgamellotti, A.; von Niessen, W.

1996-01-01

The first electronic structural study of the complete valence shell binding energy spectrum of molecular fluorine, encompassing both the outer and inner valence regions, is reported. These binding energy spectra as well as the individual orbital momentum profiles have been measured using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1500 eV, with an energy resolution of 1.5 eV and a momentum resolution of 0.1 a.u. The measured binding energy spectra in the energy range of 14-60 eV are compared with the results of ADC(4) many-body Green's function and also direct-Configuration Interaction (CI) and MRSD-CI calculations. The experimental orbital electron momentum profiles are compared with SCF theoretical profiles calculated using the target Hartree-Fock approximation with a range of basis sets and with Density Functional Theory predictions in the target Kohn-Sham approximation with non-local potentials. The truncated (aug-cc-pv5z) Dunning basis sets were used for the Density Functional Theory calculations which also include some treatment of correlation via the exchange and correlation potentials. Comparisons are also made with the full ion-neutral overlap amplitude calculated with MRSD-CI wave functions. Large, saturated basis sets (199-GTO) were employed for both the high level SCF near Hartree-Fock limit and MRSD-CI calculations to investigate the effects of electron correlation and relaxation. 66 refs., 9 tabs., 9 figs

Coulomb interaction in atomic and nuclear physics: Inner-Shell excitation, Coulomb dissociation of nuclei, and nuclear polarizability in electronic atoms

International Nuclear Information System (INIS)

Hoffmann, B.

1984-07-01

In three chapters different physical situations are described which have commonly the Coulomb interaction as driving force. The first two chapters study the Coulomb interactions in connection with the excitation of inner electron shells and the Coulomb excitation of nuclei in first order. In the third part on effect ofthe Coulomb interaction between electronic shell and nucleus is treated in second order (nuclear polarization), and its effect on the isotopic and isomeric shift is studied. (orig./HSI) [de

Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

Energy Technology Data Exchange (ETDEWEB)

Lyutorovich, N.; Tselyaev, V. [Physical Faculty, St. Petersburg State University, RU-198504 St. Petersburg (Russian Federation); Speth, J., E-mail: J.Speth@fz-juelich.de [Institut für Kernphysik, Forschungszentrum Jülich, D-52425 Jülich (Germany); Krewald, S.; Grümmer, F. [Institut für Kernphysik, Forschungszentrum Jülich, D-52425 Jülich (Germany); Reinhard, P.-G. [Institut für Theoretische Physik II, Universität Erlangen-Nürnberg, D-91058 Erlangen (Germany)

2015-10-07

We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree–Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

Fe L-shell Excitation Cross Section Measurements on EBIT-I

Science.gov (United States)

Chen, Hui; Beiersdorfer, P.; Brown, G.; Boyce, K.; Kelley, R.; Kilbourne, C.; Porter, F.; Gu, M. F.; Kahn, S.

2006-09-01

We report the measurement of electron impact excitation cross sections for the strong iron L-shell 3-2 lines of Fe XVII to Fe XXIV at the LLNL EBIT-I electron beam ion trap using a crystal spectrometer and NASA-Goddard Space Flight Center's 6x6 pixel array microcalorimeter. The cross sections were determined by direct normalization to the well-established cross sections for radiative electron capture. Our results include the excitation cross section for over 50 lines at multiple electron energies. Although we have found that for 3C line in Fe XVII the measured cross sections differ significantly from theory, in most cases the measurements and theory agree within 20%. This work was performed under the auspices of the U.S. DOE by LLNL under contract No. W-7405-Eng-48 and supported by NASA APRA grants to LLNL, GSFC, and Stanford University.

Effect of isovector coupling channel on the macroscopic part of the nuclear binding energy

International Nuclear Information System (INIS)

Haddad, S.

2011-04-01

The effect of the isovector coupling channel on the macroscopic part of the nuclear binding energy is determined utilizing the relativistic density dependent Thomas-Fermi approach for the calculation of the macroscopic part of the nuclear binding energy, and the dependency of this effect on the numbers of neutrons and protons is studied. The isovector coupling channel leads to increased nuclear binding energy, and this effect sharpens with growing excess of the number of neutrons on the number of protons. (author)

Description of rotating N=Z nuclei in terms of isovector pairing

International Nuclear Information System (INIS)

Afanasjev, A.V.; Frauendorf, S.

2005-01-01

A systematic investigation of the rotating N=Z even-even nuclei in the mass A=68-80 region has been performed within the frameworks of the cranked relativistic mean field, cranked relativistic Hartree-Bogoliubov theories, and cranked Nilsson-Strutinsky approach. Most of the experimental data are well accounted for in the calculations. The present study suggests the presence of strong isovector np pair field at low spin, whose strength is defined by the isospin symmetry. At high spin, the isovector pair field is destroyed and the data are well described by the calculations assuming zero pairing. No clear evidence for the existence of the isoscalar t=0 np pairing has been obtained in the present investigation performed at the mean field level

Sound transmission through double cylindrical shells lined with porous material under turbulent boundary layer excitation

Science.gov (United States)

Zhou, Jie; Bhaskar, Atul; Zhang, Xin

2015-11-01

This paper investigates sound transmission through double-walled cylindrical shell lined with poroelastic material in the core, excited by pressure fluctuations due to the exterior turbulent boundary layer (TBL). Biot's model is used to describe the sound wave propagating in the porous material. Three types of constructions, bonded-bonded, bonded-unbonded and unbonded-unbonded, are considered in this study. The power spectral density (PSD) of the inner shell kinetic energy is predicted for two turbulent boundary layer models, different air gap depths and three types of polyimide foams, respectively. The peaks of the inner shell kinetic energy due to shell resonance, hydrodynamic coincidence and acoustic coincidence are discussed. The results show that if the frequency band over the ring frequency is of interest, an air gap, even if very thin, should exist between the two elastic shells for better sound insulation. And if small density foam has a high flow resistance, a superior sound insulation can still be maintained.

Deformation dependence of the isovector giant dipole resonance: The neodymium isotopic chain revisited

Science.gov (United States)

Donaldson, L. M.; Bertulani, C. A.; Carter, J.; Nesterenko, V. O.; von Neumann-Cosel, P.; Neveling, R.; Ponomarev, V. Yu.; Reinhard, P.-G.; Usman, I. T.; Adsley, P.; Brummer, J. W.; Buthelezi, E. Z.; Cooper, G. R. J.; Fearick, R. W.; Förtsch, S. V.; Fujita, H.; Fujita, Y.; Jingo, M.; Kleinig, W.; Kureba, C. O.; Kvasil, J.; Latif, M.; Li, K. C. W.; Mira, J. P.; Nemulodi, F.; Papka, P.; Pellegri, L.; Pietralla, N.; Richter, A.; Sideras-Haddad, E.; Smit, F. D.; Steyn, G. F.; Swartz, J. A.; Tamii, A.

2018-01-01

Proton inelastic scattering experiments at energy Ep = 200 MeV and a spectrometer scattering angle of 0° were performed on 144,146,148,150Nd and 152Sm exciting the IsoVector Giant Dipole Resonance (IVGDR). Comparison with results from photo-absorption experiments reveals a shift of resonance maxima towards higher energies for vibrational and transitional nuclei. The extracted photo-absorption cross sections in the most deformed nuclei, 150Nd and 152Sm, exhibit a pronounced asymmetry rather than a distinct double-hump structure expected as a signature of K-splitting. This behaviour may be related to the proximity of these nuclei to the critical point of the phase shape transition from vibrators to rotors with a soft quadrupole deformation potential. Self-consistent random-phase approximation (RPA) calculations using the SLy6 Skyrme force provide a relevant description of the IVGDR shapes deduced from the present data.

Collective 0+, 1+ and 2+ excitations in rotating nuclei

International Nuclear Information System (INIS)

Balbutsev, E.B.; Piperova, J.

1988-01-01

The energies and B(Eγ) factors of the isoscalar and isovector 0 + and 2 + resonances are calculated with Skyrme interaction. A satisfactory agreement with experimental data is obtained. It is shown that in rotating nuclei the 2 + excitations split into five branches and also 5 low-lying excitations appear. Two of these low-lying modes are angular resonances and the theory reproduces their energies and B(M1) factors. The experimentally observed splitting of giant monopole resonance in deformed nuclei is confirmed. 34 refs.; 10 figs.; 1 tab

Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer.

Science.gov (United States)

Small, David W; Head-Gordon, Martin

2017-07-14

The Coupled Cluster Valence Bond (CCVB) method, previously presented for closed-shell (CS) systems, is extended to open-shell (OS) systems. The theoretical development is based on embedding the basic OS CCVB wavefunction in a fictitious singlet super-system. This approach reveals that the OS CCVB amplitude equations are quite similar to those of CS CCVB, and thus that OS CCVB requires the same level of computational effort as CS CCVB, which is an inexpensive method. We present qualitatively correct CCVB potential energy curves for all low-lying spin states of P 2 and Mn 2 + . CCVB is successfully applied to the low-lying spin states of some model linear polycarbenes, systems that appear to be a hindrance to standard density functionals. We examine an octa-carbene dimer in a side-by-side orientation, which, in the monomer dissociation limit, exhibits maximal strong correlation over the length of the polycarbene.

Pairing and deformation effects in nuclear excitation spectra

Energy Technology Data Exchange (ETDEWEB)

Repko, A. [Slovak Academy of Sciences, Institute of Physics, Bratislava (Slovakia); Kvasil, J. [Charles University, Institute of Particle and Nuclear Physics, Prague (Czech Republic); Nesterenko, V.O. [Joint Institute for Nuclear Research, Laboratory of Theoretical Physics, Dubna (Russian Federation); State University ' ' Dubna' ' , Dubna (Russian Federation); Reinhard, P.G. [Universitaet Erlangen, Institut fuer Theoretische Physik II, Erlangen (Germany)

2017-11-15

We investigate effects of pairing and of quadrupole deformation on two sorts of nuclear excitations, γ-vibrational K{sup π} = 2{sup +} states and dipole resonances (isovector dipole, pygmy, compression, toroidal). The analysis is performed within the quasiparticle random phase approximation (QRPA) based on the Skyrme energy functional using the Skyrme parametrization SLy6. Particular attention is paid to i) the role of the particle-particle (pp) channel in the residual interaction of QRPA, ii) comparison of volume pairing (VP) and surface pairing (SP), iii) peculiarities of deformation splitting in the various resonances. We find that the impact of the pp-channel on the considered excitations is negligible. This conclusion applies also to any other excitation except for the K{sup π} = 0{sup +} states. Furthermore, the difference between VP and SP is found small (with exception of peak height in the toroidal mode). In the low-energy isovector dipole (pygmy) and isoscalar toroidal modes, the branch K{sup π} = 1{sup -} is shown to dominate over the K{sup π} = 0{sup -} one in the range of excitation energy E < 8-10 MeV. The effect becomes impressive for the toroidal resonance whose low-energy part is concentrated in a high peak of almost pure K{sup π} = 1{sup -} nature. This peculiarity may be used as a fingerprint of the toroidal mode in future experiments. The interplay between pygmy, toroidal and compression resonances is discussed, the interpretation of the observed isoscalar giant dipole resonance is partly revised. (orig.)

Laser pulses for coherent xuv Raman excitation

Science.gov (United States)

Greenman, Loren; Koch, Christiane P.; Whaley, K. Birgitta

2015-07-01

We combine multichannel electronic structure theory with quantum optimal control to derive femtosecond-time-scale Raman pulse sequences that coherently populate a valence excited state. For a neon atom, Raman target populations of up to 13% are obtained. Superpositions of the ground and valence Raman states with a controllable relative phase are found to be reachable with up to 4.5% population and arbitrary phase control facilitated by the pump pulse carrier-envelope phase. Analysis of the optimized pulse structure reveals a sequential mechanism in which the valence excitation is reached via a fast (femtosecond) population transfer through an intermediate resonance state in the continuum rather than avoiding intermediate-state population with simultaneous or counterintuitive (stimulated Raman adiabatic passage) pulse sequences. Our results open a route to coupling valence excitations and core-hole excitations in molecules and aggregates that locally address specific atoms and represent an initial step towards realization of multidimensional spectroscopy in the xuv and x-ray regimes.

Neutron stars in relativistic mean field theory with isovector scalar meson

International Nuclear Information System (INIS)

Kubis, S.; Kutschera, M.; Stachniewicz, S.

1996-12-01

We study the equation of state (EOS) of neutron star matter in a relativistic mean field (RMF) theory with the isovector scalar mean field corresponding to the δ-meson [a 0 (980)]. A range of values of the δ-meson coupling compatible with the Bonn potentials is explored. Parameters of the model in the isovector sector are constrained to fit the nuclear symmetry energy, E s ∼ 30 MeV. We find that proton fraction of neutron star matter is higher in the presence of the δ-field whereas the energy per particle is lower. The EOS becomes slightly stiffer and the maximum mass of the neutron star increased with increasing δmeson coupling. The effect is stronger for soft EOS. (author). 7 refs, 6 figs, 1 tab

Neutron stars in relativistic mean field theory with isovector scalar meson

International Nuclear Information System (INIS)

Kubis, S.; Kutschera, M.; Stachniewicz, S.

1998-01-01

We study the equation of state (EOS) of β-stable dense matter and models of neutron stars in the relativistic mean field (RMF) theory with the isovector scalar mean field corresponding to the δ-meson (a 0 (980)). A range of values of the δ-meson coupling compatible with the Bonn potentials is explored. Parameters of the model in the isovector sector are constrained to fit the nuclear symmetry energy, E s ∼30 MeV. We find that the quantity most sensitive to the δ-meson coupling is the proton fraction of neutron star matter. It increases significantly in the presence of the δ-field. The energy per baryon also increases but the effect is smaller. The EOS becomes slightly stiffer and the maximum neutron star mass increases for stronger δ-meson coupling. (author)

Neutron stars in relativistic mean field theory with isovector scalar meson

Energy Technology Data Exchange (ETDEWEB)

Kubis, S.; Kutschera, M.; Stachniewicz, S. [Institute of Nuclear Physics, Cracow (Poland)

1996-12-01

We study the equation of state (EOS) of neutron star matter in a relativistic mean field (RMF) theory with the isovector scalar mean field corresponding to the {delta}-meson [a{sub 0}(980)]. A range of values of the {delta}-meson coupling compatible with the Bonn potentials is explored. Parameters of the model in the isovector sector are constrained to fit the nuclear symmetry energy, E{sub s} {approx} 30 MeV. We find that proton fraction of neutron star matter is higher in the presence of the {delta}-field whereas the energy per particle is lower. The EOS becomes slightly stiffer and the maximum mass of the neutron star increased with increasing {delta}meson coupling. The effect is stronger for soft EOS. (author). 7 refs, 6 figs, 1 tab.

Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states

International Nuclear Information System (INIS)

Das, Madhulita; Chaudhuri, Rajat K; Chattopadhyay, Sudip; Sinha Mahapatra, Uttam

2011-01-01

In view of its importance in high precision spectroscopy, the valence universal multireference coupled cluster (VU-MRCC) method with four-component relativistic spinors has been applied to compute ionization potential (IP) and excitation energies (EEs) of the indium atom (In I). The effect of electron correlations on the ground and excited state properties is investigated using different levels of CC approximations and basis sets. This study reveals that for a given basis, the linearized VU-MRCC method tends to underestimate the IP, EEs and other one-electron properties such as magnetic hyperfine constant (A) compared to the full blown VU-MRCC method. Our computed results have been compared with available theoretical and experimental data. The IP, EEs, A and oscillator strengths (f) determined at the VU-MRCC level are in excellent agreement with the experimental results. The properties reported here further demonstrate that a basis set with at least h-type of orbitals is ubiquitous to achieve converged results.

Contribution of inner shell electrons to position-dependent stopping powers of a crystal surface

International Nuclear Information System (INIS)

Narumi, Kazumasa; Fujii, Yoshikazu; Kishine, Keiji; Kurakake, Hiroshi; Kimura, Kenji; Mannami, Michi-hiko

1994-01-01

Position-dependent stopping powers of the (001) surface of SnTe single crystal for specularly reflected 15 - 200 keV H + ions are studied. The position dependence of the experimental stopping powers varies with the energy of ions. From the comparison with the theoretical stopping powers based on both the single ion-electron collision and the collective excitation of the valence electrons, it is concluded that the observed change in the position-dependent stopping powers with energy of H + is due to the variation of contribution of inner shell electrons to stopping. (author)

The Vibration Analysis of Tube Bundles Induced by Fluid Elastic Excitation in Shell Side of Heat Exchanger

Science.gov (United States)

Bao, Minle; Wang, Lu; Li, Wenyao; Gao, Tianze

2017-09-01

Fluid elastic excitation in shell side of heat exchanger was deduced theoretically in this paper. Model foundation was completed by using Pro / Engineer software. The finite element model was constructed and imported into the FLUENT module. The flow field simulation adopted the dynamic mesh model, RNG k-ε model and no-slip boundary conditions. Analysing different positions vibration of tube bundles by selecting three regions in shell side of heat exchanger. The results show that heat exchanger tube bundles at the inlet of the shell side are more likely to be failure due to fluid induced vibration.

Deformation dependence of the isovector giant dipole resonance: The neodymium isotopic chain revisited

Directory of Open Access Journals (Sweden)

L.M. Donaldson

2018-01-01

Full Text Available Proton inelastic scattering experiments at energy Ep=200 MeV and a spectrometer scattering angle of 0° were performed on 144,146,148,150Nd and 152Sm exciting the IsoVector Giant Dipole Resonance (IVGDR. Comparison with results from photo-absorption experiments reveals a shift of resonance maxima towards higher energies for vibrational and transitional nuclei. The extracted photo-absorption cross sections in the most deformed nuclei, 150Nd and 152Sm, exhibit a pronounced asymmetry rather than a distinct double-hump structure expected as a signature of K-splitting. This behaviour may be related to the proximity of these nuclei to the critical point of the phase shape transition from vibrators to rotors with a soft quadrupole deformation potential. Self-consistent random-phase approximation (RPA calculations using the SLy6 Skyrme force provide a relevant description of the IVGDR shapes deduced from the present data.

Effect of deformation on the valence shell occupancies of {sup 74}Ge, {sup 76}Ge, {sup 76}Se and {sup 78}Se

Energy Technology Data Exchange (ETDEWEB)

Elsharkawy, H.M. [Department of Physics, Faculty of Science, Fayoum University (Egypt); Saleh Yousef, M., E-mail: msyousef12@gmail.com [Department of Physics, Taibah University, Almadinah Almunawwarah (Saudi Arabia); Department of Physics, Cairo University, Giza 12613 (Egypt)

2017-03-15

The set of BCS equations have been solved using both realistic and schematic separable forces to calculate the occupation probability amplitudes for protons and neutrons in the valence shells of {sup 74}Ge, {sup 76}Ge, {sup 76}Se and {sup 78}Se deformed nuclei. A comparison between the calculated occupation probabilities with the experimental measured values is introduced. A big difference is found between the occupation probabilities of protons with the experimental values, while for neutrons the agreement with the experimental values at high deformations is satisfactory.

Neutron stars in relativistic mean field theory with isovector scalar meson

Energy Technology Data Exchange (ETDEWEB)

Kubis, S.; Kutschera, M.; Stachniewicz, S. [H. Niewodniczanski Institute of Nuclear Physics, Cracow (Poland)

1998-03-01

We study the equation of state (EOS) of {beta}-stable dense matter and models of neutron stars in the relativistic mean field (RMF) theory with the isovector scalar mean field corresponding to the {delta}-meson (a{sub 0}(980)). A range of values of the {delta}-meson coupling compatible with the Bonn potentials is explored. Parameters of the model in the isovector sector are constrained to fit the nuclear symmetry energy, E{sub s}{approx}30 MeV. We find that the quantity most sensitive to the {delta}-meson coupling is the proton fraction of neutron star matter. It increases significantly in the presence of the {delta}-field. The energy per baryon also increases but the effect is smaller. The EOS becomes slightly stiffer and the maximum neutron star mass increases for stronger {delta}-meson coupling. (author) 8 refs, 6 figs, 2 tabs

The energy gap at Z=64 and its implications for the structure of excited states in the A approximately 150

International Nuclear Information System (INIS)

Broda, R.

1980-01-01

The experimental results are presented indicating the existence of the energy gap in the single particle level sequence at proton number Z=64. Studied experimentally yrast states of the 64 146 Gd 82 closed core nucleus and of the neighbouring nuclei are interpreted within the framework of the spherical shell model. The consideration of the simple shell model multiparticle configurations is suggested to explain the observed frequent appearance of the high-spin isomers in nuclei of the A approximately 150 region. Emphasized is the role of the octupole excitations in the level structures of considered nuclei and some aspects of the coupling of octupole vibrations with valence nucleons are discussed. (author)

Absolute photoabsorption oscillator strengths by electron energy loss methods: the valence and S 2p and 2s inner shells of sulphur dioxide in the discrete and continuum regions (3.5-260 eV)

International Nuclear Information System (INIS)

Feng, R.; Cooper, G.; Burton, G.R.; Brion, C.E.; Avaldi, L.

1999-01-01

Absolute photoabsorption oscillator strengths (cross-sections) for the valence shell discrete and continuum regions of sulphur dioxide from 3.5 to 51 eV have been measured using high resolution (∼0.05 eV FWHM) dipole (e,e) spectroscopy. A wide-range spectrum, covering both the valence shell and the S 2p and 2s inner shells, has also been obtained from 5 to 260 eV at low resolution (∼1 eV FWHM), and this has been used to determine the absolute oscillator strength scale using valence shell TRK (i.e., S(0)) sum-rule normalization. The present measurements have been undertaken in order to investigate the recently discovered significant quantitative errors in our previously published low resolution dipole (e,e) work on sulphur dioxide (Cooper et al., Chem. Phys. 150 (1991) 237; 150 (1991) 251). These earlier measurements were also in poor agreement with other previously published direct photoabsorption measurements. We now report new absolute photoabsorption oscillator strengths using both high and low resolution dipole (e,e) spectroscopies. These new measurements cover a wider energy range and are much more consistent with the previously published direct photoabsorption measurements. The accuracy of our new measurements is confirmed by an S(-2) dipole sum-rule analysis which gives a static dipole polarizability for sulphur dioxide in excellent agreement (within 3.5%) with previously reported polarizability values. Other dipole sums S(u) (u=-1,-3 to -6,-8,-10) and logarithmic dipole sums L(u) (u=-1 to -6) are also determined from the presently reported absolute oscillator strength distributions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

On the difference in oscillator strengths of inner shell excitations in noble gases and their alkali neighbors

International Nuclear Information System (INIS)

Amusia, M.Y.; Baltenkov, A.S.; Zhuravleva, G.I.

1995-01-01

It is demonstrated that the oscillator strength of resonant inner-shell excitation in a noble gas atom is considerably smaller than that in its alkali neighbor because in the latter case the effective charge acting upon excited electron is much bigger. With increase of the excitation's principal quantum number the difference between line intensities in noble gases and their alkali neighbors rapidly disappears. The calculations are performed in the Hartree-Fock approximation and with inclusion of rearrangement effects due to inner vacancy creation and its Auger decay. A paper has been submitted for publication

Experimental study of isovector spin sum rules

International Nuclear Information System (INIS)

Alexandre Deur; Peter Bosted; Volker Burkert; Donald Crabb; Kahanawita Dharmawardane; Gail Dodge; Tony Forest; Keith Griffioen; Sebastian Kuhn; Ralph Minehart; Yelena Prok

2008-01-01

We present the Bjorken integral extracted from Jefferson Lab experiment EG1b for 0.05 2 . The integral is fit to extract the twist-4 element f 2 p-n which is large and negative. Systematic studies of this higher twist analysis establish its legitimacy at Q 2 around 1 GeV 2 . We also extracted the isovector part of the generalized forward spin polarizability γ 0 . Although this quantity provides a robust test of Chiral Perturbation Theory, our data disagree with the calculations

Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

Directory of Open Access Journals (Sweden)

N. Lyutorovich

2015-10-01

Full Text Available We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree–Fock ground state and the excitation spectra within random-phase approximation (RPA and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA. All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

Fast neutron capture and the microscopic isovector optical potential

International Nuclear Information System (INIS)

Chakrabarty, D.R.; Gupta, S.K.

Neutron capture cross-sections are calculated with the direct-semidirect model employing the complex microscopic optical potential recently calculated by Jeukenne, Lejoune and Mahaux. The data for 89 Y, Ce and 208 Pb for Esub(n)=6-16 MeV agree well with the calculation for a twofold increase in the magnitude of the isovector part of the microscopic potential. (auth.)

The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

Science.gov (United States)

Yang, Huihui; Chen, Hongshan

2017-07-01

The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

Isovector coupling channel and central properties of the charge density distribution in heavy spherical nuclei

International Nuclear Information System (INIS)

Haddad, S.

2010-01-01

The influence of the isovector coupling channel on the central depression parameter and the central value of the charge density distribution in heavy spherical nuclei was studied. The isovector coupling channel leads to about 50% increase of the central depression parameter, and weakens the dependency of both central depression parameter and the central density on the asymmetry, impressively contributing to the semibubble form of the charge density distribution in heavy nuclei, and increasing the probability of larger nuclei with higher proton numbers and higher neutron-to-proton ratios stable. (author)

Nanoscale elasticity mappings of micro-constituents of abalone shell by band excitation-contact resonance force microscopy

Science.gov (United States)

Li, Tao; Zeng, Kaiyang

2014-01-01

The macroscopic mechanical properties of the abalone shell have been studied extensively in the literature, but the in situ nanoscale elasticity of various micro-constituents in the shell have not been characterized and reported yet. In this study, the nanoscale elasticity mappings including different micro-constituents in abalone shell were observed by using the Contact Resonance Force Microscopy (CR-FM) technique. CR-FM is one of the advanced scanning probe microscopy techniques that is able to quantify the local elastic moduli of various materials in a non-destructive manner. Instead of an average value, an elasticity mapping that reveals the nanoscale variations of elastic moduli with location can be extracted and correlated with the topography of the structure. Therefore in this study, by adopting the CR-FM technique that is incorporated with the band excitation technique, the elasticity variations of the abalone shell caused by different micro-constituents and crystal orientations are reported, and the elasticity values of the aragonite and calcite nanograins are quantified.The macroscopic mechanical properties of the abalone shell have been studied extensively in the literature, but the in situ nanoscale elasticity of various micro-constituents in the shell have not been characterized and reported yet. In this study, the nanoscale elasticity mappings including different micro-constituents in abalone shell were observed by using the Contact Resonance Force Microscopy (CR-FM) technique. CR-FM is one of the advanced scanning probe microscopy techniques that is able to quantify the local elastic moduli of various materials in a non-destructive manner. Instead of an average value, an elasticity mapping that reveals the nanoscale variations of elastic moduli with location can be extracted and correlated with the topography of the structure. Therefore in this study, by adopting the CR-FM technique that is incorporated with the band excitation technique, the

Unitary eikonal formalism for multiproduction of isovector mesons at high energy

CERN Document Server

Redei, L B

1973-01-01

Unitary eikonal models for multiproduction of isovector mesons are discussed in general terms. A closed analytic expression is derived for the partial production cross sections and for the meson multiplicity moments. A simple class of models is discussed in more detail. (11 refs).

Experimental study of isovector spin sum rules

International Nuclear Information System (INIS)

Deur, A.; Bosted, P.; Burkert, V.; Crabb, D.; Minehart, R.; Prok, Y.; Dharmawardane, V.; Dodge, G. E.; Kuhn, S. E.; Forest, T. A.; Griffioen, K. A.

2008-01-01

We present the Bjorken integral extracted from Jefferson Lab experiment EG1b for 0.05 2 2 . The integral is fit to extract the twist-4 element f 2 p-n which appears to be relatively large and negative. Systematic studies of this higher twist analysis establish its legitimacy at Q 2 around 1 GeV 2 . We also performed an isospin decomposition of the generalized forward spin polarizability γ 0 . Although its isovector part provides a reliable test of the calculation techniques of chiral perturbation theory, our data disagree with the calculations.

Shell structure effects at high excitations and many-quasiparticle configurations

International Nuclear Information System (INIS)

Soloviev, V.G.

1980-01-01

Experimental and theoretical data available on few- and many-quasiparticle components of the wave functions of complex nuclei at low, intermediate and high energies are shortly analyzed. The components are treated in the nuclear quasiparticle-phonon model. Specific features of the lowest and high-spin states, giant resonances, neutron resonances and the effects of the energy-level structure in the few-and many-particle transfer reactions are discussed. It is concluded that the most reliable nuclear properties are determined by the components, their behaviour reflecting the shell structure effects. Wich increasing excitation energy the density of levels increases exponentially and the contribution of few-quasiparticle components to the normalization of the wave functions decreases exponentially

Coulomb excitation $^{74}$Zn-$^{80}$Zn (N=50): probing the validity of shell-model descriptions around $^{78}$Ni

CERN Multimedia

A study of the evolution of the nuclear structure along the zinc isotopic chain close to the doubly magic nucleus $^{78}$Ni is proposed to probe recent shell-model calculations in this area of the nuclear chart. Excitation energies and connecting B(E2) values will be measured through multiple Coulomb excitation experiment with laser ionized purified beams of $^{74-80}$Zn from HIE ISOLDE. The current proposal request 30 shifts.

Hadron excitation of giant resonances

International Nuclear Information System (INIS)

Morsch, H.-P.

1985-01-01

A review is given on giant resonance studies in heavy nuclei using scattering of different hadronic probes. Concerning isoscalar giant resonances compression modes are discussed with the possibility to obtain more detailed structure information. From detailed studies of α scattering the distribution of isoscalar strengths of multipolarity up to L=6 was obtained. Some recent aspects of heavy ion excitation of collective modes are mentioned. The possibility to study isovector giant resonances in hadron charge exchange reactions is discussed. Finally, a comparison is made between α and 200 MeV proton scattering from which isoscalar and spin-isospin continuum response are extracted. (orig.)

Lie algebraic approach to valence bond theory of π-electron systems: a preliminary study of excited states

Science.gov (United States)

Paldus, J.; Li, X.

1992-10-01

Following a brief outline of various developments and exploitations of the unitary group approach (UGA), and its extension referred to as Clifford algebra UGA (CAUGA), in molecular electronic structure calculations, we present a summary of a recently introduced implementation of CAUGA for the valence bond (VB) method based on the Pariser-Parr-Pople (PPP)-type Hamiltonian. The existing applications of this PPP-VB approach have been limited to groundstates of various π-electron systems or, at any rate, to the lowest states of a given multiplicity. In this paper the method is applied to the low-lying excited states of several archetypal models, namely cyclobutadiene and benzene, representing antiaromatic and aromatic systems, hexatriene, representing linear polyenic systems and, finally, naphthalene, representing polyacenes.

Particle-number conservation in odd mass proton-rich nuclei in the isovector pairing case

International Nuclear Information System (INIS)

Fellah, M.; Allal, N.H.; Oudih, M.R.

2015-01-01

An expression of a wave function which describes odd–even systems in the isovector pairing case is proposed within the BCS approach. It is shown that it correctly generalizes the one used in the pairing between like-particles case. It is then projected on the good proton and neutron numbers using the Sharp-BCS (SBCS) method. The expressions of the expectation values of the particle-number operator and its square, as well as the energy, are deduced in both approaches. The formalism is applied to study the isovector pairing effect and the number projection one on the ground state energy of odd mass N ≈ Z nuclei using the single-particle energies of a deformed Woods–Saxon mean-field. It is shown that both effects on energy do not exceed 2%, however, the absolute deviations may reach several MeV. Moreover, the np pairing effect rapidly diminishes as a function of (N - Z). The deformation effect is also studied. It is shown that the np pairing effect, either before or after the projection, as well as the projection effect, when including or not the isovector pairing, depends upon the deformation. However, it seems that the predicted ground state deformation will remain the same in the four approaches. (author)

Armature reaction of permanent magnet-excited small dc motors with shell type magnets and possibilities of power increase

Energy Technology Data Exchange (ETDEWEB)

Gutt, H J; Tran, Q N

1983-07-01

Permanent magnet-excited small dc motors allow an increase of power up to 30% compared with present permanent excited motors. The calculation of immediate irreversible demagnetization of the air-gap situated shell type magnets is necessary for a good motor design. Numerical calculated field line plots show the critical zones of the irreversible demagnetization at high armature reaction and refer how to avoid the flux loss and to increase the motor power.

Effect of the isovector coupling channel on the macroscopic part of ...

Indian Academy of Sciences (India)

Physics Department, Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syria. E-mail: pscientific@aec.org.sy. MS received 10 June 2012; revised 18 October 2012; accepted 12 December 2012. Abstract. The effect of isovector coupling channel on the macroscopic part of the nuclear binding energy is studied ...

Inner-shell/subshell photoionization cross section measurements using a gamma excited variable energy X-ray source

Energy Technology Data Exchange (ETDEWEB)

Sood, B S; Allawadhi, K L; Arora, S K [Punjabi Univ., Patiala (India). Nuclear Science Labs.

1982-02-15

The method developed for the determination of K/L shell photoionization cross sections in various elements, 39 <= Z <= 92, in the characteristic X-ray energy region using a gamma excited variable energy X-ray source has been used for the measurement of Lsub(III) subshell photoionization cross section in Pb, Th and U. The measurements are made at the K X-ray energies of Rb, Nb and Mo, since these are able to excite selectively the Lsub(III) subshells of Pb, Th and U, respectively. The results, when compared with theoretical calculations of Scofield, are found to agree within the uncertainties of determination.

L-shell dielectronic recombination for 0-like ions

International Nuclear Information System (INIS)

Omar, G.; Semedal, R.; Shahin, F.; El-Sherbini, T.H.

2007-01-01

In electron-Ion (e/I) collisions, a free electron may be captured by a positively charged ion having bound electrons with a simultaneous, excitation. This radiationless capture, most probably, creates resonance (d) states. These d- states may stabilize by emission of radiation (x-rays). This two-step process is known as Dielectronic recombination (D R). At high incident-electron energy, D R dominates over the radiative recombination (R R) and three- body recombination (Tbr) processes. Thus, D R is one of the most effective recombination for ionisation balance in solar corona and artificial plasma . In addition, the D R rates are needed for the development of nuclear fusion plasma. Thus, D R is still an interesting process m both experimental and theoretical research. Previously we have done the D R rates for 0-like AL 5+ , Cl 9+ Ti 14+ and Zn 22+ ions with K-shell excitation. In this work, the D R rates are calculated for the same ions, but with L-shell excitation. It is found that, the peak values of the D R rates for L-shell excitation are 1000 times larger than that for K-shell excitation. This means that, D R process is the most efficient mechanism for outer-shell excitations. It is found also that, the Dr rates for L-shell excitation peak at Kt = 6 Ry, 22 Ry for AL 5+ and Ti 14+ ions respectively. These Kt values are much smaller than that for for K-shell excitation

Connections between the dynamical symmetries in the microscopic shell model

Energy Technology Data Exchange (ETDEWEB)

Georgieva, A. I., E-mail: anageorg@issp.bas.bg [Institute of Solid State Physics, Bulgarian Academy of Sciences, Sofia 1784 (Bulgaria); Drumev, K. P. [Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Sofia 1784 (Bulgaria)

2016-03-25

The dynamical symmetries of the microscopic shell model appear as the limiting cases of a symmetry adapted Pairing-Plus-Quadrupole Model /PQM/, with a Hamiltonian containing isoscalar and isovector pairing and quadrupole interactions. We establish a correspondence between each of the three types of pairing bases and Elliott’s SU(3) basis, that describes collective rotation of nuclear systems with quadrupole deformation. It is derived from their complementarity to the same LS coupling chain of the shell model number conserving algebra. The probability distribution of the S U(3) basis states within the pairing eigenstates is also obtained through a numerical diagonalization of the PQM Hamiltonian in each limit. We introduce control parameters, which define the phase diagram of the model and determine the role of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

Experimental study of relative level populations in beam-foil excited Ar+7 and Kr+7

International Nuclear Information System (INIS)

Bashkin, S.; Oona, H.; Veje, E.

1981-01-01

The relative level populations in beam-foil excited sodium-like argon (Ar VIII) and copper-like krypton (Kr VIII) have been studied at 2 MeV projectile energy. In Ar VIII, the 3p and the 3d terms are strongly excited. The level population decreases rapidly with increasing value of the principal quantum number n, reaches a minimum for levels with n = 5 or 6, but increases then and reaches a strong maximum for levels with n approximately 11. Also the Kr VIII data show a population maximum for levels with n = 11. The strong 3p and 3d level excitations in Ar VIII are explained as selective inner-shell processes which can be understood in the molecular-orbital electron-promotion picture. The preferential population of high-flying Rydberg states is explained as resulting from a near-resonance electron transfer from the valence band of the carbon foil to the projectile. This process takes place when the projectile leaves the back of the foil. (Auth.)

Inelastic resonant M-scattering of X-rays from Gd metal with inner-shell excitation

International Nuclear Information System (INIS)

Braicovich, L.; Tagliaferri, A.

1998-01-01

The paper presents results on resonant inner-shell scattering in Gd across the M 5 threshold; the scattering channel with formally a 4 p hole in the final state is studied. Two scattering channels are in competition: one at constant transferred energy and another at constant outgoing energy. The branching ratio of the process at constant transferred energy is about 5%. It's isolated the many-body satellite structure of the formally 4p 3/2 final hole state and it's discussed the importance of the multiplet splitting and of the super Coster-Kronig conversion of this state into another final state with two 4 d holes. The results with resonant M 5 excitation are also compared with those of non-resonant excitation well above the M 4 threshold. Guidelines for future research are briefly presented

Nuclear structure from radioactive decay. Annual progress report

International Nuclear Information System (INIS)

Wood, J.L.

1982-01-01

The most exciting development during this year has been the formulation of a unified description of shape coexistence in nuclei. The picture is built on the idea that deformation in nuclei is due to an attractive proton-neutron force acting in the valence shell model space. The excitation of nucleon pairs across closed shells effectively increases the number of valence nucleons, giving rise to a set of coexisting states with larger deformation. The major area of activity is the study of neutron-deficient nuclei around the Z = 82 shell closure, with special emphasis on the levels of the odd-mass Pt, Au, Hg and Tl isotopes. Progress is reported

Polynomial expansions and transition strengths

International Nuclear Information System (INIS)

Draayer, J.P.

1980-01-01

The subject is statistical spectroscopy applied to determining strengths and strength sums of excitation processes in nuclei. The focus will be on a ds-shell isoscalar E2 study with detailed shell-model results providing the standard for comparison; similar results are available for isovector E2 and M1 and E4 transitions as well as for single-particle transfer and ν +- decay. The present study is intended to serve as a tutorial for applications where shell-model calculations are not feasible. The problem is posed and a schematic theory for strengths and sums is presented. The theory is extended to include the effect of correlations between H, the system Hamiltonian, and theta, the excitation operator. Associated with correlation measures is a geometry that can be used to anticipate the goodness of a symmetry. This is illustrated for pseudo SU(3) in the fp-shell. Some conclusions about fluctuations and collectivity that one can deduce from the statistical results for strengths are presented

Spin isovector giant resonances in (n,p) reactions

International Nuclear Information System (INIS)

Spicer, B.M.

1997-01-01

The present status of the study of spin-flip isovector giant resonances, using the (n,p) charge exchange reaction, is reviewed. After a brief history of the discovery of these giant resonances, a critical appraisal of the interpretation of the data in terms of giant resonances is given, along with some of the theoretical advances that impact on the interpretation of these data. A sampling of the results obtained for typical targets is given, followed by the interpretation of these results. A brief statement is made concerning the way forward in experimental technique for nuclear structure research using charge exchange reactions

Multimode interaction in axially excited cylindrical shells

Directory of Open Access Journals (Sweden)

Silva F. M. A.

2014-01-01

Full Text Available Cylindrical shells exhibit a dense frequency spectrum, especially near the lowest frequency range. In addition, due to the circumferential symmetry, frequencies occur in pairs. So, in the vicinity of the lowest natural frequencies, several equal or nearly equal frequencies may occur, leading to a complex dynamic behavior. So, the aim of the present work is to investigate the dynamic behavior and stability of cylindrical shells under axial forcing with multiple equal or nearly equal natural frequencies. The shell is modelled using the Donnell nonlinear shallow shell theory and the discretized equations of motion are obtained by applying the Galerkin method. For this, a modal solution that takes into account the modal interaction among the relevant modes and the influence of their companion modes (modes with rotational symmetry, which satisfies the boundary and continuity conditions of the shell, is derived. Special attention is given to the 1:1:1:1 internal resonance (four interacting modes. Solving numerically the governing equations of motion and using several tools of nonlinear dynamics, a detailed parametric analysis is conducted to clarify the influence of the internal resonances on the bifurcations, stability boundaries, nonlinear vibration modes and basins of attraction of the structure.

Influence of Physical and Geometrical Uncertainties in the Parametric Instability Load of an Axially Excited Cylindrical Shell

Directory of Open Access Journals (Sweden)

Frederico Martins Alves da Silva

2015-01-01

Full Text Available This work investigates the influence of Young’s modulus, shells thickness, and geometrical imperfection uncertainties on the parametric instability loads of simply supported axially excited cylindrical shells. The Donnell nonlinear shallow shell theory is used for the displacement field of the cylindrical shell and the parameters under investigation are considered as uncertain parameters with a known probability density function in the equilibrium equation. The uncertainties are discretized as Hermite-Chaos polynomials together with the Galerkin stochastic procedure that discretizes the stochastic equation in a set of deterministic equations of motion. Then, a general expression for the transversal displacement is obtained by a perturbation procedure which identifies all nonlinear modes that couple with the linear modes. So, a particular solution is selected which ensures the convergence of the response up to very large deflections. Applying the standard Galerkin method, a discrete system in time domain that considers the uncertainties is obtained and solved by fourth-order Runge-Kutta method. Several numerical strategies are used to study the nonlinear behavior of the shell considering the uncertainties in the parameters. Special attention is given to the influence of the uncertainties on the parametric instability and time response, showing that the Hermite-Chaos polynomial is a good numerical tool.

Orbital momentum distribution and binding energies for the complete valence shell of molecular bromine

International Nuclear Information System (INIS)

Frost, L.; Grisogono, A.M.; Weigold, E.

1987-08-01

The binding energy spectrum of Br 2 has been recorded in both the outer and inner valence regions using electron momentum spectroscopy. The measurements are compared with the results of several Green's function calculations using different approximations and based on both polarized and unpolarized wave functions. The inner valence region, observed for the first time, is found to exhibit complex structure that is shown to be due to many-body effects, thus indicating a breakdown of the simple MO picture for ionization in this region. Momentum distributions for the three outer valence orbitals are also measured and compared with spherically averaged calculations using the target Hartree-Fock and plane wave impulse approximations. The effect of polarization functions in the basis set is investigated. Orbital density maps in both momentum and position space have been calculated and compared with the experimental measurements

Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models

Science.gov (United States)

Soos, Z. G.; Ramasesha, S.

1984-05-01

The ground and low-lying states of finite quantum-cell models with one state per site are obtained exactly through a real-space basis of valence-bond (VB) diagrams that explicitly conserve the total spin. Regular and alternating Hubbard and Pariser-Parr-Pople (PPP) chains and rings with Ne electrons on N(PPP models, but differ from mean-field results. Molecular PPP parameters describe well the excitations of finite polyenes, odd polyene ions, linear cyanine dyes, and slightly overestimate the absorption peaks in polyacetylene (CH)x. Molecular correlations contrast sharply with uncorrelated descriptions of topological solitons, which are modeled by regular polyene radicals and their ions for both wide and narrow alternation crossovers. Neutral solitons have no midgap absorption and negative spin densities, while the intensity of the in-gap excitation of charged solitons is not enhanced. The properties of correlated states in quantum-cell models with one valence state per site are discussed in the adiabatic limit for excited-state geometries and instabilities to dimerization.

Nuclear structure of the N = Z odd - odd nuclei around N=28 closed shell interpreted with IBFFM

International Nuclear Information System (INIS)

Dragulescu, E.; Serbanut, G. C.; Serbanut, I.

2001-01-01

In the very recent years the knowledge of the level structure at lower and higher energies in the fpg shell N=Z nuclei has renewed a growing interest due to major improvements in the theoretical techniques. Going away from closed shell, the shell model calculations rapidly exhaust computer capabilities and we must resort to the model observed on collective phenomena. The fpg odd-odd N = Z nuclei close to the doubly magic 56 Ni nucleus are good candidates to investigate the competition between collective and single-particle excitations. Here part of the results obtained from an exhaustive systematic study of the self conjugate doubly-odd nuclei with A > 62: 62 Ga and 66 As nuclei using the interacting - boson - fermion - fermion - model (IBFFM) is presented. The odd-odd nuclei are described in the framework of the IBFFM by coupling valence shell proton and neutron quasiparticles to even-even core described in the interacting - boson model. In the first step of the calculations the core parameters for 60 Zn and 64 Ge cores were fitted to the energies of their excited states. In the second step of calculations, we have adjusted the IBFM proton Hamiltonian to the low - lying levels of 63 Ga and 67 As nuclei and IBFM neutron Hamiltonian of low - lying levels of 61 Zn and 65 Ge nuclei involved in the cases of the structure of odd-odd 62 Ga and 66 As nuclei. We have finally calculated the level spectra and electromagnetic properties of above mentioned nuclei. The IBFFM positive - parity energy spectra are compared with experimental ones. The calculations show a reasonable agreement with experimental data and existing shell - model calculations. (authors)

Coupled-cluster calculations for ground and excited states of closed- and open-shell nuclei using methods of quantum chemistry

International Nuclear Information System (INIS)

Wloch, Marta; Gour, Jeffrey R; Piecuch, Piotr; Dean, David J; Hjorth-Jensen, Morten; Papenbrock, Thomas

2005-01-01

We discuss large-scale ab initio calculations of ground and excited states of 16 O and preliminary calculations for 15 O and 17 O using coupled-cluster methods and algorithms developed in quantum chemistry. By using realistic two-body interactions and the renormalized form of the Hamiltonian obtained with a no-core G-matrix approach, we are able to obtain the virtually converged results for 16 O and promising results for 15 O and 17 O at the level of two-body interactions. The calculated properties other than binding and excitation energies include charge radius and charge form factor. The relatively low costs of coupled-cluster calculations, which are characterized by the low-order polynomial scaling with the system size, enable us to probe large model spaces with up to seven or eight major oscillator shells, for which nontruncated shell-model calculations for nuclei with A = 15-17 active particles are presently not possible

Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation

Energy Technology Data Exchange (ETDEWEB)

Booth, Corwin H.; Walter, Marc D.; Kazhdan, Daniel; Hu, Yung-Jin; Lukens, Wayne W.; Bauer, Eric D.; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.

2009-04-22

Partial ytterbium f-orbital occupancy (i.e., intermediate valence) and open-shell singlet formation are established for a variety of bipyridine and diazabutadiene adducts with decamethylytterbocene, (C5Me5)2Yb, abbreviated as Cp*2Yb. Data used to support this claim include ytterbium valence measurements using Yb LIII-edge X-ray absorption near-edge structure spectroscopy, magnetic susceptibility, and complete active space self-consistent field (CASSCF) multiconfigurational calculations, as well as structural measurements compared to density functional theory calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground-state wave function that has both an open-shell singlet f13(?*)1, where pi* is the lowest unoccupied molecular orbital of the bipyridine or dpiazabutadiene ligands, and a closed-shell singlet f14 component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the lack of temperature dependence of the measured intermediate valence. These results have implications for understanding chemical bonding not only in organolanthanide complexes but also for f-element chemistry in general, as well as understanding magnetic interactions in nanoparticles and devices.

Decamethylytterbocene complexes of bipyridines and diazabutadines: multiconfigurational ground states and open-shell singlet formation

Energy Technology Data Exchange (ETDEWEB)

Bauer, Eric D [Los Alamos National Laboratory; Booth, C H [LBNL; Walter, M D [LBNL; Kazhdan, D [LBNL; Hu, Y - J [LBNL; Lukens, Wayne [LBNL; Maron, Laurent [INSA TOULOUSE; Eisentein, Odile [UNIV MONTPELLIER 2; Anderson, Richard [LBNL

2009-01-01

Partial ytterbium f-orbital occupancy (i.e. intermediate valence) and open-shell singlet Draft 12/formation are established for a variety of bipyridine and diazabutadiene adducts to decamethylytterbocene, (C{sub 5}Me{sub 5}){sub 2}Yb or Cp*{sub 2}Yb. Data used to support this claim includes ytterbium valence measurements using Yb Lm-edge x-ray absorption near-edge structure (XANES) spectroscopy, magnetic susceptibility and Complete Active Space Self-Consistent Field (CASSCF) multi configurational calculations, as well as structural measurements compared to density-functional theory (DFT) calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground state wave function that has both an open-shell singlet f{sup 13} and a closed-shell singlet f{sup 14} component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the presence of intermediate valence and its lack of any significant temperature dependence. These results have implications for understanding chemical bonding not only in organolanthanide complexes, but also for organometallic chemistry in general, as well as understanding magnetic interactions in nanopartic1es and devices.

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

DEFF Research Database (Denmark)

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

2016-01-01

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

The influence of core-valence electron correlations on the convergence of energy levels and oscillator strengths of ions with an open 3d shell using Fe VIII as an example

International Nuclear Information System (INIS)

Zeng Jiaolong; Jin Fengtao; Zhao Gang; Yuan Jianmin

2003-01-01

Accurate atomic data, such as fine structure energy levels and oscillator strengths of different ionization stages of iron ions, are important for astrophysical and laboratory plasmas. However, some important existing oscillator strengths for ions with an open 3d shell found in the literature might not be accurate enough for practical applications. As an example, the present paper checks the convergence behaviour of the energy levels and oscillator strengths of Fe VIII by systematically increasing the 3p n -3d n (n = 1, 2, 3 and 6) core-valence electron correlations using the multiconfiguration Hartree-Fock method. The results show that one should at least include up to 3p 3 -3d 3 core-valence electron correlations to obtain converged results. Large differences are found between the present oscillator strengths and other theoretical results in the literature for some strong transitions

Experimental investigation of particle-hole excitations in 91Nb

International Nuclear Information System (INIS)

Singh, Purnima; Palit, R.; Choudhury, D.

2014-01-01

Investigation of high-spin states in nuclei near N = 50 shell closure have attracted considerable attention in recent years. These nuclei provide a suitable laboratory for testing the residual interactions of the spherical shell model. Studies of N = 50, Z ∼ 40 nuclei, revealed that the low-lying states in these nuclei arise from proton excitations within the f 5/2 , p 3/2 , p 1/2 , and g 9/2 orbits. The higher angular momentum states were observed to have dominant contribution of 1p - 1h configurations involving a single g 9/2 neutron excitation across the N = 50 shell gap into the d 5/2 orbit. A comprehensive study of multiparticle-multihole (mp-mh) excitations in these nuclei may provide necessary insight into the evolution of shell structure above N = 50 shell gap. However, till date there is no experimental evidence of states involving two or more neutron excitations across the N = 50 shell gap in N = 50, Z ∼ 40 nuclei. The present work investigates high-spin states in the N = 50 nucleus, 91 Nb, with the purpose to search for states involving 2p - 2h excitations across the N = 50 shell closure

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.

Phases and phase transitions in the algebraic microscopic shell model

Directory of Open Access Journals (Sweden)

Georgieva A. I.

2016-01-01

Full Text Available We explore the dynamical symmetries of the shell model number conserving algebra, which define three types of pairing and quadrupole phases, with the aim to obtain the prevailing phase or phase transition for the real nuclear systems in a single shell. This is achieved by establishing a correspondence between each of the pairing bases with the Elliott’s SU(3 basis that describes collective rotation of nuclear systems. This allows for a complete classification of the basis states of different number of particles in all the limiting cases. The probability distribution of the SU(3 basis states within theirs corresponding pairing states is also obtained. The relative strengths of dynamically symmetric quadrupole-quadrupole interaction in respect to the isoscalar, isovector and total pairing interactions define a control parameter, which estimates the importance of each term of the Hamiltonian in the correct reproduction of the experimental data for the considered nuclei.

Study of shell evolution in the Ni isotopes via one-neutron transfer reaction in $^{70}$Ni

CERN Multimedia

This proposal aims at the study of the single particle properties of the neutron-rich nickel isotopes, specifically of the $^{71}$Ni isotope via a $^{70}$Ni(d,p) $^{71}$Ni reaction. The $^{70}$Ni beam will be delivered by HIE-ISOLDE at 5.5 MeV/u onto a 1.0 mg/cm$^{2}$ CD$_{2}$ target. The protons produced in the (d,p) reaction will be detected with the T-REX silicon array either in singles or in coincidence with $\\gamma$- rays recorded by MINIBALL. The experimental results will be compared with large-scale shell-model calculations using effective interactions that involve large valence spaces for protons and neutrons, with excitations beyond the Z =28 and N=50 shell gap. This comparison will permit the study of the single-particle orbital d$_{5/2}$ that together with the quasi-SU3 partner g$_{9/2}$ gives rise to the collectivity in this region and has direct implications on the $^{78}$Ni.

A role of valence particles number equal to 20

International Nuclear Information System (INIS)

Kumar, V.; Kumar, S.; Hasan, Z.; Kumar, D.; Pradeep; Koranga, B.S.; Kumar, S.; Negi, D.

2012-01-01

The importance of the N p N n parametrization was first demonstrated by Casten in connection with the role of the proton-neutron interaction in the growth of deformation away from shell closures, and there have subsequently been many developments in this theme. The symbols N p and N n are number of valence particles/holes of protons and neutrons, respectively (where nucleons are counted as holes beyond the middle of a major shell). The observables which reflect collective structure in the deformed mass region for even-even nuclei such as E(2 + ), R 4/2 ≡ E(4 + )/E(2 + ) and B(E2) have behaved smoothly with N p N n

Excitation of the giant resonance in the radiative pion capture on lp shell nuclei

International Nuclear Information System (INIS)

Dogotar', G.E.

1978-01-01

The spin-dipole transitions in the (π - ,γ) reaction on 6 Li, 7 Li, 9 Be, 13 C and 14 N are calculated in the framework of shell model and are compared with experiment. The discussion includes the gross structure and the quantum numbers of the resonance, relative branchings, prominent partial transitions and total yields. General findings is that the calculated (π - ,γ) yield distributions describe the data well in those cases where also the photonuclear data are well reproduced, although the amplitudes of the elementary processes are different. In the case considered, the best agreement is obtained for A=9 and 14. The configurational splitting of the resonances is clearly seen in the A=6 and 7 cases, to somewhat less extent also for A=9. For heavier nuclei the contribution from hole excitation is small and is spread out. For A=7 and 11 the calculated main peaks are at too low intrinsic excitation energies as compared with histograms

Micro-Valences: Affective valence in neutral everyday objects

Directory of Open Access Journals (Sweden)

Sophie eLebrecht

2012-04-01

Full Text Available Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses. Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the majority of objects carry some affective valence (micro-valences and, thus, nominally neutral objects are not really neutral. Functionally, the perception of valence in everyday objects facilitates perceptually-driven choice behavior, decision-making, and affective responses.

A simplified generator coordinate treatment with analytical projected-BCS solutions for isovector pairing collective motions

International Nuclear Information System (INIS)

Kyotoku, M.; Chen, H.T.

1979-01-01

Analytical expressions for the projected-BCS energies and reaction transition rates among the isovector pairing collective states are obtained by the recognition of symmetry properties in a class of BCS wave functions. As a consequence, a simplified generator coordinate treatment is suggested [pt

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

Spectroscopy of 211Rn approaching the valence limit

International Nuclear Information System (INIS)

Davidson, P.M.; Dracoulis, G.D.; Byrne, A.P.; Kibedi, T.; Fabricus, B.; Baxter, A.M.; Stuchbery, A.E.; Poletti, A.R.; Schiffer, K.J.

1993-01-01

High-spin states in 211 Rn were populated using the reaction 198 Pt( 18 O, 5n) at 96 MeV. Their decay was studied using γ-ray and electron spectroscopy. The known level scheme is extended up to a spin of greater than 69/2 and many non-yrast states are added. Semi-empirical shell-model calculations and the properties of related states in 210 Rn and 212 Rn are used to assign configurations to some of the non-yrast states. The properties of the high-spin states observed are compared to the predictions of the multi-particle octupole-coupling model and the semi-empirical shell model. The maximum reasonable spin available from the valence particles and holes in 77/2 and states are observed to near this limit. (orig.)

Many-body forces in nuclear shell-model

International Nuclear Information System (INIS)

Rath, P.K.

1985-01-01

In the microscopic derivation of the effective Hamiltonian for the nuclear shell model many-body forces between the valence nucleons occur. These many-body forces can be discriminated in ''real'' many-body forces, which can be related to mesonic and internal degrees of freedom of the nucleons, and ''effective'' many-body forces, which arise by the confinement of the nucleonic Hilbert space to the finite-dimension shell-model space. In the present thesis the influences of such three-body forces on the spectra of sd-shell nuclei are studied. For this the two common techniques for shell-model calculations (Oak Ridge-Rochester and Glasgow representation) are extended in such way that a general three-body term in the Hamiltonian can be regarded. The studies show that the repulsive contributions of the considered three-nucleon forces become more important with increasing number of valence nucleons. By this the particle-number dependence of empirical two-nucleon forces can be qualitatively explained. A special kind of effective many-body force occurs in the folded diagram expansion of the energy-dependent effective Hamiltonian for the shell model. Thereby it is shown that the contributions of the folded diagrams with three nucleons are just as important as those with two nucleons. Thus it is to be suspected that the folded diagram expansion contains many-particle terms with arbitrary particle number. The present studies however show that four nucleon effects are neglegible so that the folded diagram expansion can be confined to two- and three-particle terms. In shell-model calculations which extend over several main shells the influences of the spurious center-of-mass motion must be regarded. A procedure is discussed by which these spurious degrees of freedom can be exactly separated. (orig.) [de

A density variational approach to nuclear giant resonances at zero and finite temperature

International Nuclear Information System (INIS)

Gleissl, P.; Brack, M.; Quentin, P.; Meyer, J.

1989-02-01

We present a density functional approach to the description of nuclear giant resonances (GR), using Skyrme type effective interactions. We exploit hereby the theorems of Thouless and others, relating RPA sum rules to static (constrained) Hartree-Fock expectation values. The latter are calculated both microscopically and, where shell effects are small enough to allow it, semiclassically by a density variational method employing the gradient-expanded density functionals of the extended Thomas-Fermi model. We obtain an excellent overall description of both systematics and detailed isotopic dependence of GR energies, in particular with the Skyrme force SkM. For the breathing modes (isoscalar and isovector giant monopole modes), and to some extent also for the isovector dipole mode, the A-dependence of the experimental peak energies is better described by coupling two different modes (corresponding to two different excitation operators) of the same spin and parity and evaluating the eigenmodes of the coupled system. Our calculations are also extended to highly excited nuclei (without angular momentum) and the temperature dependence of the various GR energies is discussed

Levels of valence

Directory of Open Access Journals (Sweden)

Vera eShuman

2013-05-01

Full Text Available The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010, qualitatively different types of valence are proposed based on appraisals of (unpleasantness, goal obstructiveness/conduciveness, low or high power, self- (incongruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative common currency to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro to valence at another level (macro, leading to new hypotheses and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation.

Measurement of isovector giant quadrupole resonance in 40Ca

International Nuclear Information System (INIS)

Sims, D.A.; Thompson, M.N.; Rassool, R.; Adler, J.O.; Andersson, B.E.; Hansen, K.; Issaksson, L.; Nilsson, B.; Ruijter, H.; Schroeder, B.; Annand, J.R.M.; McGeorge, J.C.; Crawford, G.I.; Miller, G.J.

1997-01-01

The 40 Ca(γ,n) reaction was measured using tagged photons in the energy range 25-50 MeV. Neutrons were detected using two 9-element, liquid scintillator, neutron detectors placed at angles of 55 deg and 125 deg at flight path of 3.2 m. The absolute cross section was determined relative to that for D (γ,n)p, which was measured using a heavy water target. The forward/backward asymmetry in the 40 Ca (γ, n) cross section, resulting from E1/E2 interference has been used to locate and parametrize the isovector giant quadrupole resonance (IVQR). 6 refs., 2 figs

Persistence of the Z=28 Shell Gap Around ^{78}Ni: First Spectroscopy of ^{79}Cu.

Science.gov (United States)

Olivier, L; Franchoo, S; Niikura, M; Vajta, Z; Sohler, D; Doornenbal, P; Obertelli, A; Tsunoda, Y; Otsuka, T; Authelet, G; Baba, H; Calvet, D; Château, F; Corsi, A; Delbart, A; Gheller, J-M; Gillibert, A; Isobe, T; Lapoux, V; Matsushita, M; Momiyama, S; Motobayashi, T; Otsu, H; Péron, C; Peyaud, A; Pollacco, E C; Roussé, J-Y; Sakurai, H; Santamaria, C; Sasano, M; Shiga, Y; Takeuchi, S; Taniuchi, R; Uesaka, T; Wang, H; Yoneda, K; Browne, F; Chung, L X; Dombradi, Z; Flavigny, F; Giacoppo, F; Gottardo, A; Hadyńska-Klęk, K; Korkulu, Z; Koyama, S; Kubota, Y; Lee, J; Lettmann, M; Louchart, C; Lozeva, R; Matsui, K; Miyazaki, T; Nishimura, S; Ogata, K; Ota, S; Patel, Z; Sahin, E; Shand, C; Söderström, P-A; Stefan, I; Steppenbeck, D; Sumikama, T; Suzuki, D; Werner, V; Wu, J; Xu, Z

2017-11-10

In-beam γ-ray spectroscopy of ^{79}Cu is performed at the Radioactive Isotope Beam Factory of RIKEN. The nucleus of interest is produced through proton knockout from a ^{80}Zn beam at 270  MeV/nucleon. The level scheme up to 4.6 MeV is established for the first time and the results are compared to Monte Carlo shell-model calculations. We do not observe significant knockout feeding to the excited states below 2.2 MeV, which indicates that the Z=28 gap at N=50 remains large. The results show that the ^{79}Cu nucleus can be described in terms of a valence proton outside a ^{78}Ni core, implying the magic character of the latter.

Levels of Valence

Science.gov (United States)

Shuman, Vera; Sander, David; Scherer, Klaus R.

2013-01-01

The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010), qualitatively different types of valence are proposed based on appraisals of (un)pleasantness, goal obstructiveness/conduciveness, low or high power, self-(in)congruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative “common currency” to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro) to valence at another level (macro), leading to new hypotheses, and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation. PMID:23717292

Windows PowerShell 20 Bible

CERN Document Server

Lee, Thomas; Schill, Mark E; Tanasovski, Tome

2011-01-01

Here's the complete guide to Windows PowerShell 2.0 for administrators and developers Windows PowerShell is Microsoft's next-generation scripting and automation language. This comprehensive volume provides the background that IT administrators and developers need in order to start using PowerShell automation in exciting new ways. It explains what PowerShell is, how to use the language, and specific ways to apply PowerShell in various technologies. Windows PowerShell is Microsoft's standard automation tool and something that every Windows administrator will eventually have to understand; this b

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.

Exchange currents for hypernuclear magnetic moments

International Nuclear Information System (INIS)

Saito, K.; Oka, M.; Suzuki, T.

1997-01-01

The meson (K and π) exchange currents for the hypernuclear magnetic moments are calculated using the effective Lagrangian method. The seagull diagram, the mesonic diagram and the Σ 0 -excitation diagram are considered. The Λ-N exchange magnetic moments for 5 Λ He and A=6 hypernuclei are calculated employing the harmonic oscillator shell model. It is found that the two-body correction is about -9% of the single particle value for 5 Λ He. The π exchange current, induced only in the Σ 0 -excitation diagram, is found to give dominant contribution for the isovector magnetic moments of hypernuclei with A=6. (orig.)

Recent shell-model results for exotic nuclei

Directory of Open Access Journals (Sweden)

Utsuno Yusuke

2014-03-01

Full Text Available We report on our recent advancement in the shell model and its applications to exotic nuclei, focusing on the shell evolution and large-scale calculations with the Monte Carlo shell model (MCSM. First, we test the validity of the monopole-based universal interaction (VMU as a shell-model interaction by performing large-scale shell-model calculations in two different mass regions using effective interactions which partly comprise VMU. Those calculations are successful and provide a deeper insight into the shell evolution beyond the single-particle model, in particular showing that the evolution of the spin-orbit splitting due to the tensor force plays a decisive role in the structure of the neutron-rich N ∼ 28 region and antimony isotopes. Next, we give a brief overview of recent developments in MCSM, and show that it is applicable to exotic nuclei that involve many valence orbits. As an example of its applications to exotic nuclei, shape coexistence in 32Mg is examined.

Spectroscopy of 211Rn approaching the valence limit

International Nuclear Information System (INIS)

Davidson, P.M.; Dracoulis, G.D.; Kibedi, T.; Fabricius, B.; Baxter, A.M.; Stuchbery, A.E.; Poletti, A.R.; Schiffer, K.J.

1993-02-01

High spin states in 211 Rn were populated using the reaction 198 Pt( 18 O,5n) at 96 MeV. The decay was studied using γ-ray and electron spectroscopy. The known level scheme is extended up to a spin of greater than 69/2 and many non-yrast states are added. Semi-empirical shell model calculations and the properties of related states in 210 Rn and 212 Rn are used to assign configurations to some of the non-yrast states. The properties of the high spin states observed are compared to the predictions of the Multi-Particle Octupole Coupling model and the semi-empirical shell model. The maximum reasonable spin available from the valence particles and holes is 77/2 and states are observed to near this limit. 12 refs., 4 tabs., 8 figs

Isovector couplings for nucleon charge-exchange reactions at intermediate energies

International Nuclear Information System (INIS)

Love, W.G.; Nakayama, K.; Franey, M.A.

1987-01-01

The isovector parts of the effective nucleon-nucleon interaction are studied by examination of the reaction /sup 14/C(p,n) at intermediate energies near zero momentum transfer with use of recently developed G-matrix and free--t-matrix interactions. The spin-independent coupling (V/sub tau/) exhibits a strong energy and density dependence which, in the case of the G matrix based on the Bonn potential, significantly improves the agreement between calculated values of chemical bondV/sub σ//sub tau//V/sub tau/chemical bond 2 at q = 0 and those recently extracted from the reaction /sup 14/C

Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

Science.gov (United States)

Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

2016-04-01

We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

Study of thiophene inner shell photofragmentation

International Nuclear Information System (INIS)

Mundim, M.S.P.; Mocellin, A.; Makiuchi, N.; Naves de Brito, A.; Attie, M.; Correia, N.

2007-01-01

We investigated the inner shell photofragmentation of thiophene by time of flight (TOF) mass spectroscopy using multi-coincidence electron-ion techniques. Our main purpose was to understand aspects of molecular relaxation process after inner shell excitation and to search for bond break selectivity. Analyses of mass and branching ratios are presented and the results suggest different mechanisms and channel of fragmentation when compared with S 2p and C 1s excitations

Study of thiophene inner shell photofragmentation

Energy Technology Data Exchange (ETDEWEB)

Mundim, M.S.P. [Instituto de Fisica, Universidade de Brasilia-UnB, P.O. Box 04455, CEP 70919-970 Brasilia, DF (Brazil)], E-mail: spedrosa@fis.unb.br; Mocellin, A.; Makiuchi, N. [Instituto de Fisica, Universidade de Brasilia-UnB, P.O. Box 04455, CEP 70919-970 Brasilia, DF (Brazil); Naves de Brito, A. [Instituto de Fisica, Universidade de Brasilia-UnB, P.O. Box 04455, CEP 70919-970 Brasilia, DF (Brazil); Laboratorio Nacional de Luz Sincrotron-LNLS, P.O. Box 6192, CEP 13084-971 Campinas, SP (Brazil); Attie, M. [Departamento de Ciencias Biologicas, Universidade Estadual de Santa Cruz, UESC Rodovia Ilheus-Itabuna, km 16, CEP 45 650 000 Ilheus, BA (Brazil); Correia, N. [Departamento de Ciencias Exatas e Tecnologicas, Universidade Estadual de Santa Cruz, UESC, Rodovia Ilheus-Itabuna, km 16, CEP 45 650 000 Ilheus, BA (Brazil); Departament of Quantum Chemistry, University of Uppsala, P.O. Box 518, 751 21 Uppsala (Sweden)

2007-03-15

We investigated the inner shell photofragmentation of thiophene by time of flight (TOF) mass spectroscopy using multi-coincidence electron-ion techniques. Our main purpose was to understand aspects of molecular relaxation process after inner shell excitation and to search for bond break selectivity. Analyses of mass and branching ratios are presented and the results suggest different mechanisms and channel of fragmentation when compared with S 2p and C 1s excitations.

Isovector pairing effect on nuclear moment of inertia at finite temperature in N = Z even–even systems

International Nuclear Information System (INIS)

Ami, I.; Fellah, M.; Allal, N.H.; Benhamouda, N.; Oudih, M.R.; Belabbas, M.

2011-01-01

Expressions of temperature-dependent perpendicular (ℑ⊥) and parallel (ℑ‖) moments of inertia, including isovector pairing effects, have been established using the cranking method. They are derived from recently proposed temperature-dependent gap equations. The obtained expressions generalize the conventional finite-temperature BCS (FTBCS) ones. Numerical calculations have been carried out within the framework of the schematic Richardson model as well as for nuclei such as N = Z, using the single-particle energies and eigenstates of a deformed Woods–Saxon mean-field. ℑ⊥ and ℑ‖ have been studied as a function of the temperature. It has been shown that the isovector pairing effect on both the perpendicular and parallel moments of inertia is non-negligible at finite temperature. These correlations must thus be taking into account in studies of warm rotating nuclei in the N ≃ Z region. (author)

Sound-structure interaction analysis of an infinite-long cylindrical shell submerged in a quarter water domain and subject to a line-distributed harmonic excitation

Science.gov (United States)

Guo, Wenjie; Li, Tianyun; Zhu, Xiang; Miao, Yuyue

2018-05-01

The sound-structure coupling problem of a cylindrical shell submerged in a quarter water domain is studied. A semi-analytical method based on the double wave reflection method and the Graf's addition theorem is proposed to solve the vibration and acoustic radiation of an infinite cylindrical shell excited by an axially uniform harmonic line force, in which the acoustic boundary conditions consist of a free surface and a vertical rigid surface. The influences of the complex acoustic boundary conditions on the vibration and acoustic radiation of the cylindrical shell are discussed. It is found that the complex acoustic boundary has crucial influence on the vibration of the cylindrical shell when the cylindrical shell approaches the boundary, and the influence tends to vanish when the distances between the cylindrical shell and the boundaries exceed certain values. However, the influence of the complex acoustic boundary on the far-field sound pressure of the cylindrical shell cannot be ignored. The far-field acoustic directivity of the cylindrical shell varies with the distances between the cylindrical shell and the boundaries, besides the driving frequency. The work provides more understanding on the vibration and acoustic radiation behaviors of cylindrical shells with complex acoustic boundary conditions.

Quadrupole moments of high spin states in the trans lead region

International Nuclear Information System (INIS)

Neyens, G.; Hardeman, F.; Nouwen, R.; S'heeren, G.; Van Den Bergh, M.; Cousement, R.

1990-01-01

The last few years, a lot of attention has been paid to the trans lead region. A reason for this has to be found in the fact that 208 Pb is a double magic core: both its proton and neutron shell are closed. This means that all nuclei in the lead region can be described well by the shell model, using a spherical 208 Pb core (spherical symmetric potential) and some valence particles or holes around it. The question is whether this model is also correct for high spin states. In this region, isomers with high angular momenta can only be created by alignment of all the spins of the valence particles and holes. And in some cases, alignment is not enough: core excitations are necessary to build up the large spin value of the isomeric state (e.g. the 63/2-isomer in 211 Rn. This means that a neutron pair from the closed N = 126 shell is broken up and one or both neutrons are excited to a level with higher energy and spin. The alignment of the valence-particle-spins causes an increase of the interactions between the valence particles (holes) on one hand, and between the valence particles (holes) and the hard core on the other hand. The latter interaction can cause a deformation of the core. The two interactions are taken into account in two different models: The SERI model (Spherical shell model with Empirical Residual Interactions) and the DIPM (Deformed Independent Particle Model). This paper reports that the effect of alignment of the spins of the valence particles in an isomeric state has been taken into account in the shell model by using residual interactions between the valence particles. These interactions are introduced in the theory in an empirical way or are calculated. Another model, the DIPM, takes into account the effect of alignment in a natural way: it starts from a deformed core (e.g. an axial symmetric potential) in which the valence particles are moving independently from each other)

Shells and Patterns

Science.gov (United States)

Sutley, Jane

2009-01-01

"Shells and Patterns" was a project the author felt would easily put smiles on the faces of her fifth-graders, and teach them about unity and the use of watercolor pencils as well. It was thrilling to see the excitement in her students as they made their line drawings of shells come to life. For the most part, they quickly got the hang of…

Low-lying magnetic dipole strength distribution in the γ-soft even-even 130-136Ba

International Nuclear Information System (INIS)

Guliyev, E.; Ertugral, F.; Kuliev, A.A.

2006-01-01

In this study the scissors mode 1 + states are systematically investigated within the rotational invariant Quasiparticle Random Phase Approximation (QRPA) for 130-136 Ba isotopes. We consider the 1 + vibrations generated by the isovector spin-spin interactions and the isoscalar and isovector quadrupole-type separable forces restoring the broken symmetry by a deformed mean field according to A.A. Kuliev et al. (Int. J. Mod. Phys. E 9, 249 (2000)). It has been shown that the restoration of the broken rotational symmetry of the Hamiltonian essentially decreases the B(M1) value of the low-lying 1 + states and increases the collectivization of the scissors mode excitations in the spectroscopic energy region. The agreement between the calculated mean excitation energies as well as the summed B(M1) value of the scissors mode excitations and the available experimental data of 134 Ba and 136 Ba is rather good. A destructive interference between the orbit and spin part of the M1 strength has been found for barium isotopes near the shell closer. For all the nuclei under investigation, the low-lying M1 transitions have ΔK=1 character as it is the case for the well-deformed nuclei. (orig.)

Interelectron correlations in photoionization of outer shells near inner shell thresholds

International Nuclear Information System (INIS)

Amusia, M Ya; Chernysheva, L V; Drukarev, E G

2015-01-01

We have studied the role of virtual excitations of inner shells upon outer shell photoionization. The calculations were performed in the frames of the Random Phase Approximation with Exchange (RPAE) and its generalized version GRPAE that take into account variation of the atomic field due to electron elimination and the inner vacancies decay. We apply both analytic approximation and numeric computations. The results are presented for 3p electrons in Ar and for 4d-electrons in Pd near inner shells thresholds. The effect considered proved to be quite noticeable. (paper)

Deriving the nuclear shell model from first principles

Science.gov (United States)

Barrett, Bruce R.; Dikmen, Erdal; Vary, James P.; Maris, Pieter; Shirokov, Andrey M.; Lisetskiy, Alexander F.

2014-09-01

The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. Supported by the US NSF under Grant No. 0854912, the US DOE under

The nucleon as a test case to calculate vector-isovector form factors at low energies

Science.gov (United States)

Leupold, Stefan

2018-01-01

Extending a recent suggestion for hyperon form factors to the nucleon case, dispersion theory is used to relate the low-energy vector-isovector form factors of the nucleon to the pion vector form factor. The additionally required input, i.e. the pion-nucleon scattering amplitudes are determined from relativistic next-to-leading-order (NLO) baryon chiral perturbation theory including the nucleons and optionally the Delta baryons. Two methods to include pion rescattering are compared: a) solving the Muskhelishvili-Omnès (MO) equation and b) using an N/D approach. It turns out that the results differ strongly from each other. Furthermore the results are compared to a fully dispersive calculation of the (subthreshold) pion-nucleon amplitudes based on Roy-Steiner (RS) equations. In full agreement with the findings from the hyperon sector it turns out that the inclusion of Delta baryons is not an option but a necessity to obtain reasonable results. The magnetic isovector form factor depends strongly on a low-energy constant of the NLO Lagrangian. If it is adjusted such that the corresponding magnetic radius is reproduced, then the results for the corresponding pion-nucleon scattering amplitude (based on the MO equation) agree very well with the RS results. Also in the electric sector the Delta degrees of freedom are needed to obtain the correct order of magnitude for the isovector charge and the corresponding electric radius. Yet quantitative agreement is not achieved. If the subtraction constant that appears in the solution of the MO equation is not taken from nucleon+Delta chiral perturbation theory but adjusted such that the electric radius is reproduced, then one obtains also in this sector a pion-nucleon scattering amplitude that agrees well with the RS results.

The nucleon as a test case to calculate vector-isovector form factors at low energies

Energy Technology Data Exchange (ETDEWEB)

Leupold, Stefan [Uppsala Universitet, Institutionen foer Fysik och Astronomi, Uppsala (Sweden)

2018-01-15

Extending a recent suggestion for hyperon form factors to the nucleon case, dispersion theory is used to relate the low-energy vector-isovector form factors of the nucleon to the pion vector form factor. The additionally required input, i.e. the pion-nucleon scattering amplitudes are determined from relativistic next-to-leading-order (NLO) baryon chiral perturbation theory including the nucleons and optionally the Delta baryons. Two methods to include pion rescattering are compared: a) solving the Muskhelishvili-Omnes (MO) equation and b) using an N/D approach. It turns out that the results differ strongly from each other. Furthermore the results are compared to a fully dispersive calculation of the (subthreshold) pion-nucleon amplitudes based on Roy-Steiner (RS) equations. In full agreement with the findings from the hyperon sector it turns out that the inclusion of Delta baryons is not an option but a necessity to obtain reasonable results. The magnetic isovector form factor depends strongly on a low-energy constant of the NLO Lagrangian. If it is adjusted such that the corresponding magnetic radius is reproduced, then the results for the corresponding pion-nucleon scattering amplitude (based on the MO equation) agree very well with the RS results. Also in the electric sector the Delta degrees of freedom are needed to obtain the correct order of magnitude for the isovector charge and the corresponding electric radius. Yet quantitative agreement is not achieved. If the subtraction constant that appears in the solution of the MO equation is not taken from nucleon+Delta chiral perturbation theory but adjusted such that the electric radius is reproduced, then one obtains also in this sector a pion-nucleon scattering amplitude that agrees well with the RS results. (orig.)

Resonant transfer excitation of fluorine-like Mo{sup 33+} ion

Energy Technology Data Exchange (ETDEWEB)

Ramadan, Hassan [Ain Shams Univ., Cairo (Egypt). Dept. of Basic Sciences; Elkilany, Sabbah [Kafr El-sheikh Univ. (Egypt). Dept. of Mathematics

2010-06-15

Dielectronic recombination (DR) cross sections (anti {sigma}{sup DR}) and rate coefficients ({alpha}{sup DR}) for Mo{sup 33+} are calculated using the angular momentum average scheme (AMA). Moreover, the resonant transfer excitation followed by X-ray emission (RTEX) cross sections ({sigma}{sup RTEX}) for the collision of Mo{sup 33+} with H{sub 2} and He targets are calculated and studied. The calculations of the cross sections are performed for both K- and L-shell excitations. A smooth change with the temperatures for {alpha}{sup DR} is found for all kinds of excitations. The rates for K-shell excitation are very small in comparison with the rates for L-shell excitation. The RTEX cross sections for Mo{sup 33+} ions are obtained from their corresponding DR cross sections by the method of folding in the impulse approximation (IMA). {sigma}{sup RTEX} for the K-shell excitation shows two overlapped peaks which may be attributed to the two groups in this excitation process. The present calculations are considered as a database for future comparison with theoretical and experimental data using other coupling schemes. Multiple Auger channels are complicating the dependence of the cross sections on principal quantum numbers. (orig.)

vuv fluorescence from selective high-order multiphoton excitation of N2

International Nuclear Information System (INIS)

Coffee, Ryan N.; Gibson, George N.

2004-01-01

Recent fluorescence studies suggest that ultrashort pulse laser excitation may be highly selective. Selective high-intensity laser excitation holds important consequences for the physics of multiphoton processes. To establish the extent of this selectivity, we performed a detailed comparative study of the vacuum ultraviolet fluorescence resulting from the interaction of N 2 and Ar with high-intensity infrared ultrashort laser pulses. Both N 2 and Ar reveal two classes of transitions, inner-valence ns ' l ' . From their pressure dependence, we associate each transition with either plasma or direct laser excitation. Furthermore, we qualitatively confirm such associations with the time dependence of the fluorescence signal. Remarkably, only N 2 presents evidence of direct laser excitation. This direct excitation produces ionic nitrogen fragments with inner-valence (2s) holes, two unidentified transitions, and one molecular transition, the N 2 + :X 2 Σ g + 2 Σ u + . We discuss these results in the light of a recently proposed model for multiphoton excitation

Spin--orbit configuration-interaction study of valence and Rydberg states of LiBe

International Nuclear Information System (INIS)

Marino, M.M.; Ermler, W.C.; Kern, C.W.; Bondybey, V.E.

1992-01-01

Ab initio spin--orbit full configuration-interaction calculations in the context of relativistic effective core potentials are reported for the weakly bound metal dimer LiBe, a three-valence-electron system. The effects of basis set on the energies of valence and Rydberg states of the cluster are discussed, as are the effects of configuration space selection on the energy of the latter states. Results at the dissociative limit are compared to the experimental atomic spectra. Potential-energy curves and spectroscopic constants are presented for the ground state and fourteen excited states, which includes the Li and Be 2p valence states, the Li 3s, 3p, 3d, and 4s Rydberg states, as well as three low-lying states of the molecular cation

Signatures of shell evolution in alpha decay across the N = 126 shell closure

Science.gov (United States)

Rui-Wang; Wang, Rui-Yao; Qian, Yi-Bin; Ren, Zhong-Zhou

2017-06-01

Within the alpha-cluster model, we particularly investigate the alpha decay of exotic nuclei in the vicinity of the N = 126 neutron shell plus the Z = 82 proton shell. The systematics of alpha-preformation probability (P α ), as an indicator of the shell effect, is deduced from the ratio of the experimental decay width to the calculated one. Through the comparative analysis of the P α trend in the N = 124-130 isotonic chain, the N = 126 and Z = 82 shell closures are believed to strongly affect the formation of the alpha particle before its penetration. Additionally, the P α variety in Po and Rn isotopes is presented as another proof for such an influence. More importantly, it may be concluded that the expected neutron (or proton) shell effect gradually fades away along with the increasing valence proton (or neutron) number. The odd-even staggering presented in the P α value is also discussed. Supported by National Natural Science Foundation of China (11375086, 11535004, 11605089, 11120101005), Natural Science Youth Fund of Jiangsu Province (BK20150762), Fundamental Research Funds for the Central Universities (30916011339), 973 National Major State Basic Research and Development Program of China (2013CB834400), and a Project Funded by the Priority Academic Programme Development of JiangSu Higher Education Institutions (PAPD)

Segregation of information about emotional arousal and valence in horse whinnies.

Science.gov (United States)

Briefer, Elodie F; Maigrot, Anne-Laure; Mandel, Roi; Freymond, Sabrina Briefer; Bachmann, Iris; Hillmann, Edna

2015-04-21

Studying vocal correlates of emotions is important to provide a better understanding of the evolution of emotion expression through cross-species comparisons. Emotions are composed of two main dimensions: emotional arousal (calm versus excited) and valence (negative versus positive). These two dimensions could be encoded in different vocal parameters (segregation of information) or in the same parameters, inducing a trade-off between cues indicating emotional arousal and valence. We investigated these two hypotheses in horses. We placed horses in five situations eliciting several arousal levels and positive as well as negative valence. Physiological and behavioral measures collected during the tests suggested the presence of different underlying emotions. First, using detailed vocal analyses, we discovered that all whinnies contained two fundamental frequencies ("F0" and "G0"), which were not harmonically related, suggesting biphonation. Second, we found that F0 and the energy spectrum encoded arousal, while G0 and whinny duration encoded valence. Our results show that cues to emotional arousal and valence are segregated in different, relatively independent parameters of horse whinnies. Most of the emotion-related changes to vocalizations that we observed are similar to those observed in humans and other species, suggesting that vocal expression of emotions has been conserved throughout evolution.

Collective excitations in neutron-rich nuclei within the model of a Fermi liquid drop

International Nuclear Information System (INIS)

Kolomietz, V.M.; Magner, A.G.

2000-01-01

We discuss a new mechanism of splitting of giant multipole resonances (GMR) in spherical neutron-rich nuclei. This mechanism is associated with the basic properties of an asymmetric drop of nuclear Fermi liquid. In addition to well-known isospin shell-model predictions, our approach can be used to describe the GMR splitting phenomenon in the wide nuclear-mass region A ∼ 40-240. For the dipole isovector modes, the splitting energy, the relative strength of resonance peaks, and the contribution to the energy-weighted sum rules are in agreement with experimental data for the integrated cross sections for photonuclear (γ, n) and (γ, p) reactions

Coexistence of spherical states with deformed and superdeformed bands in doubly magic 40Ca; A shell model challenge

International Nuclear Information System (INIS)

Caurier, E.; Nowacki, F.; Menendez, J.; Poves, A.

2007-02-01

Large scale shell model calculations, with dimensions reaching 10 9 , are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0 + states of 40 Ca at 3.35 MeV and 5.21 MeV respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf-shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of 40 Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations, in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q 0 (t) ∼ 70 e fm 2 up to J=10, that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed band are maximally mixed. (authors)

Coexistence of spherical states with deformed and superdeformed bands in doubly magic 40Ca: A shell-model challenge

International Nuclear Information System (INIS)

Caurier, E.; Nowacki, F.; Menendez, J.; Poves, A.

2007-01-01

Large-scale shell-model calculations, with dimensions reaching 10 9 , are carried out to describe the recently observed deformed (ND) and superdeformed (SD) bands based on the first and second excited 0 + states of 40 Ca at 3.35 and 5.21 MeV, respectively. A valence space comprising two major oscillator shells, sd and pf, can accommodate most of the relevant degrees of freedom of this problem. The ND band is dominated by configurations with four particles promoted to the pf shell (4p-4h in short). The SD band by 8p-8h configurations. The ground state of 40 Ca is strongly correlated, but the closed shell still amounts to 65%. The energies of the bands are very well reproduced by the calculations. The out-band transitions connecting the SD band with other states are very small and depend on the details of the mixing among the different np-nh configurations; in spite of that, the calculation describes them reasonably. For the in-band transition probabilities along the SD band, we predict a fairly constant transition quadrupole moment Q 0 (t)∼170 e fm 2 up to J=10 that decreases toward the higher spins. We submit also that the J=8 states of the deformed and superdeformed bands are maximally mixed

Shell-model results in fp and fpg9/2 spaces for 61,63,65Co isotopes

International Nuclear Information System (INIS)

Srivastava, P. C.; Kota, V. K. B.

2011-01-01

Low-lying spectra and several high-spin states of odd-even 61,63,65 Co isotopes are calculated in two different shell-model spaces. First set of calculations have been carried out in fp-shell valence space (full fp space for 63,65 Co and a truncated one for 61 Co) using two recently derived fp-shell interactions, namely GXPF1A and KB3G, with 40 Ca as core. Similarly, the second set of calculations have been performed in fpg 9/2 valence space using an fpg effective interaction due to Sorlin et al., with 48 Ca as core and imposing a truncation. It is seen that the results of GXPF1A and KB3G are reasonable for 61,63 Co. For 65 Co, shell-model results show that the fpg interaction adopted in the study is inadequate and also points out that it is necessary to include orbitals higher than 1g 9/2 for neutron-rich Co isotopes.

SERS study of surface plasmon resonance induced carrier movement in Au@Cu2O core-shell nanoparticles

Science.gov (United States)

Chen, Lei; Zhang, Fan; Deng, Xin-Yu; Xue, Xiangxin; Wang, Li; Sun, Yantao; Feng, Jing-Dong; Zhang, Yongjun; Wang, Yaxin; Jung, Young Mee

2018-01-01

A plasmon induced carrier movement enhanced mechanism of surface-enhanced Raman scattering (SERS) was investigated using a charge-transfer (CT) enhancement mechanism. Here, we designed a strategy to study SERS in Au@Cu2O nanoshell nanoparticles with different shell thicknesses. Among the plasmonically coupled nanostructures, Au spheres with Cu2O shells have been of special interest due to their ultrastrong electromagnetic fields and controllable carrier transfer properties, which are useful for SERS. Au@Cu2O nanoshell nanoparticles (NPs) with shell thicknesses of 48-56 nm are synthesized that exhibit high SERS activity. This high activity originates from plasmonic-induced carrier transfer from Au@Cu2O to 4-mercaptobenzoic acid (MBA). The CT transition from the valence band (VB) of Cu2O to the second excited π-π* transition of MBA, and is of b2 electronic symmetry, which was enhanced significantly. The Herzberg-Teller selection rules were employed to predict the observed enhanced b2 symmetry modes. The system constructed in this study combines the long-range electromagnetic effect of Au NPs, localized surface plasmon resonance (LSPR) of the Au@Cu2O nanoshell, and the CT contribution to assist in understanding the SERS mechanism based on LSPR-induced carrier movement in metal/semiconductor nanocomposites.

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

CERN Multimedia

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

Valence, magnetism and conduction in the intermediate valence compounds: the case SmB6

International Nuclear Information System (INIS)

Derr, J.

2006-09-01

In some rare earth based compounds, the 4f level is situated so close to the Fermi level that the valence of the compound can become intermediate between two integer values. The so called 'intermediate valence' compound of Samarium hexaboride (SmB 6 ) is one typical example of the exciting physics which can result from this quantum equilibrium between two valence configurations. The first configuration (Sm 2+ ) corresponds to an insulating and non magnetic state whereas the second one (Sm 3+ ) would theoretically give a magnetic and metallic ground state. This dissertation deals with the influence of pressure on this equilibrium. Specific heat measurements under pressure evidenced a new long range magnetic ordering for pressures higher than p c ∼ 10 GPa. On another hand, transport measurements measured for the first time in good conditions of hydrostatics found a reliable and reproducible critical pressure for the insulator to metal transition equal to p c . The phase diagram of SmB 6 is now well known and the observation for the first time of a magnetic anomaly in the high pressure resistivity curves certifies that the onset of the magnetic phase really coincide with the closure of the gap. This change at the critical pressure p c is discussed in a general frame taking into account the Kondo lattice temperature as a key parameter for the renormalization of the wavefunction from one integer configuration to the other whereas the valence itself is still intermediate. This general idea seems to be valid also for other systems studied in this dissertation like SmS or TmSe and could even be valid for more general cases (Ytterbium, Cerium). In the same time, resistivity measurements under uniaxial stress were undertaken. The result is a strong anisotropy effect observed on the pressure dependence of the residual resistivity in the compound SmB 6 . The comparison with the transport under hydrostatic conditions enables us to consider a new idea for the nature of the gap

Shell model calculations for exotic nuclei

International Nuclear Information System (INIS)

Brown, B.A.; Wildenthal, B.H.

1991-01-01

A review of the shell-model approach to understanding the properties of light exotic nuclei is given. Binding energies including p and p-sd model spaces and sd and sd-pf model spaces; cross-shell excitations around 32 Mg, including weak-coupling aspects and mechanisms for lowering the ntw excitations; beta decay properties of neutron-rich sd model, of p-sd and sd-pf model spaces, of proton-rich sd model space; coulomb break-up cross sections are discussed. (G.P.) 76 refs.; 12 figs

Seismic analysis of axisymmetric shells

International Nuclear Information System (INIS)

Jospin, R.J.; Toledo, E.M.; Feijoo, R.A.

1984-01-01

Axisymmetric shells subjected to multiple support excitation are studied. The shells are spatialy discretized by the finite element method and in order to obtain estimates for the maximum values of displacements and stresses the response spectrum tecnique is used. Finally, some numerical results are presented and discussed in the case of a shell of revolution with vertical symmetry axis, subjected to seismic ground motions in the horizontal, vertical and rocking directions. (Author) [pt

Micro-Valences: Affective valence in neutral everyday objects

OpenAIRE

Sophie eLebrecht; Moshe eBar; Lisa F Barrett; Michael J Tarr

2012-01-01

Affective valence influences both our cognition and our perception of the world. Indeed, the speed and quality with which we recognize objects in a visual scene can vary dramatically depending on its affective content. However, affective processing of visual objects has been typically studied using only stimuli with strong affective valences (e.g., guns or roses). Here we explore whether affective valence must be strong or obvious to exert an effect on our perception. We conclude that the maj...

Large shift and small broadening of Br2 valence band upon dimer formation with H2O: an ab initio study.

Science.gov (United States)

Franklin-Mergarejo, Ricardo; Rubayo-Soneira, Jesus; Halberstadt, Nadine; Ayed, Tahra; Bernal-Uruchurtu, Margarita I; Hernández-Lamoneda, Ramón; Janda, Kenneth C

2011-06-16

Valence electronic excitation spectra are calculated for the H(2)O···Br(2) complex using highly correlated ab initio potentials for both the ground and the valence electronic excited states and a 2-D approximation for vibrational motion. Due to the strong interaction between the O-Br and the Br-Br stretching motions, inclusion of these vibrations is the minimum necessary for the spectrum calculation. A basis set calculation is performed to determine the vibrational wave functions for the ground electronic state and a wave packet simulation is conducted for the nuclear dynamics on the excited state surfaces. The effects of both the spin-orbit interaction and temperature on the spectra are explored. The interaction of Br(2) with a single water molecule induces nearly as large a shift in the spectrum as is observed for an aqueous solution. In contrast, complex formation has a remarkably small effect on the T = 0 K width of the valence bands due to the fast dissociation of the dihalogen bond upon excitation. We therefore conclude that the widths of the spectra in aqueous solution are mostly due to inhomogeneous broadening. © 2011 American Chemical Society

Effect of large neutron excess in the region of the Giant Dipole and Quadrupole Resonance

CERN Document Server

Lanza, E G

1999-01-01

We study the dipole and quadrupole modes of neutron rich nuclei within the selfconsistent HF + RPA. The presence of neutron skin enhances the mixing of isoscalar and isovector modes. Then it is possible to excite modes of isovector character by an isoscalar probe. In particular we analize the excitation of dipole modes by alpha scattering. The excitation of compressional isoscalar mode is also studied.

Electromagnetic excitation of the two-phonon giant dipole resonance

International Nuclear Information System (INIS)

Emling, H.

1994-03-01

It is the aim of this article to summarize our present knowledge on the double isovector giant dipole resonance (DGDR) and our understanding of the electromagnetic excitation mechanism in heavy ion collisions in the relativistic energy regime. In the following chapter, a brief resume on the history of giant resonances is given and, based on their understanding, conclusions on the expected properties of multi-phonon resonances are drawn. In chapter 2, the essential features of electromagnetic heavy ion interactions at (near) relativistic velocities will be illuminated and the theoretical framework is presented, which describes such processes. New experimental methods were required for an appropriate study of Coulomb dissociation processes, which are discussed in chapter 3 together with the experimental results. Chapter 4 is dedicated to summarize the results from electromagnetic excitation studies, to compare with those from alternative methods and, in particular, to contrast experimental findings with theoretical predictions and to address open problems. (orig.)

Isovector meson-exchange currents in the light-front dynamics

International Nuclear Information System (INIS)

Desplanques, B.; Karmanov, V.A.; Mathiot, J.F.

1994-09-01

In the light-front dynamics, there is no pair term that plays the role of the dominant isovector pion exchange current. This current gives rise to the large and experimentally observed contribution to the deuteron electrodisintegration cross-section near threshold for pseudo-scalar πNN coupling. It is analytically shown that in leading 1/m order the amplitude in the light-front dynamics coincides, however, with the one given by the pair term. At high Q 2 , it consists of two equal parts. One comes from extra components of the deuteron and final state relativistic wave functions. The other results from the contact NNπγ interaction which appears in the light-front dynamics. This provides a transparent link between relativistic and non-relativistic approaches. (author). 16 refs., 4 figs

Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of the projectile charge and velocity

International Nuclear Information System (INIS)

Rangama, J.

2002-11-01

Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of projectile charge and velocity. Auger electron spectroscopy is used for an experimental investigation of ionization and excitation of lithium atoms by ions (Kr34 + and Ar18 + ) and electrons at high impact velocities (from 6 to 60 a.u.). In particular, relative contributions of the mechanisms responsible for lithium K-shell ionization-excitation are determined for various projectile charges Zp and velocities vp. A large range of perturbation parameters |Zp|/vp is explored (|Zp|/vp = 0,05 - 0,7 a.u.). From single K-shell excitation results, it appears that the projectile-electron interaction gives mainly rise to a dipole-like transition 1s -> np Concerning K-shell ionization-excitation, the separation of the TS2 (two independent projectile-electron interactions) and TS1 (one projectile-electron interaction) mechanisms responsible for the formation of the 2snp 1,3P and 2sns 1,3S lithium states is performed. In TS1 process, the projectile-electron interaction can be followed by an electron-electron interaction (dielectronic process) or by an internal rearrangement of the residual target after a sudden potential change (shake process). From Born theory, ab initio calculations are performed. The good agreement between theoretical and experimental results confirms the mechanism identification. For the production of P states, TS1 is found to be strongly dominant for small |Zp|/vp values and TS2 is found to be most important for large |Zp|/vp values. Since P states cannot be formed significantly via a shake process, the TS1 and TS2 separation provides a direct signature of the dielectronic process. On the other hand, the TS1 process is shown to be the unique process for producing the S states. At the moment, only the shake aspect of the TS1 process can explain the fact that the 2s3s configuration is preferentially

Crossover and valence band Kβ X-rays of chromium oxides

International Nuclear Information System (INIS)

Fazinic, Stjepko; Mandic, Luka; Kavcic, Matjaz; Bozicevic, Iva

2011-01-01

Kβ X-ray spectra of chromium metal and selected chromium oxides were measured twice using medium resolution flat crystal spectrometer and high resolution spectrometer employing Johansson geometry after excitation with 2 MeV proton beams. The positions and intensities of crossover (Kβ'') and valence (Kβ 2,5 ) band X-rays relative to the primary Kβ X-ray components were extracted in a consistent way. The results were compared with the existing data obtained by proton and photon induced ionization mechanisms and theoretical predictions. The obtained results in peak relative positions and intensities were analyzed in order to study dependence on the chromium oxidation states and chromium-oxygen bond lengths in selected chromium oxides. Our results obtained by both spectrometers confirm that the linear trend observed for the valence peak relative energy shift as a function of chromium oxidation number does not depend on the experimental resolution. Experimental results for normalized intensities (i.e. relative intensities divided with the number of chromium-oxygen pairs) of crossover and valence band X-rays obtained by both spectrometers are in very good agreement, and follow exponential relationship with the average Cr-O bond lengths in corresponding chromium oxides. The observed trends in crossover and valence X-rays normalized intensities could be used to measure the average chromium-oxygen bond length in various chromium oxides, with the sum of both crossover and valence X-ray normalized intensities being the most sensitive measure.

Inner-Shell Excitations of 2p Electrons of Argon Investigated by Fast Electron Impact with High Resolution

International Nuclear Information System (INIS)

Ren Lin-Mao; Wang You-Yan; Li Dong-Dong; Yuan Zhen-Sheng; Zhu Lin-Fan

2011-01-01

Electron energy loss spectra of inner-shell excitations of 2p electrons of argon are measured at an incident electron energy of 2500 eV and scattering angles of 0° and 4°. The dipole-forbidden transitions of 2p −1 3/2 4p and 2p −1 3/2 5p are observed in the measured spectra and assigned based on the calculations of the Cowan code. The positions and line widths for the excitations of 2p −1 3/2 nl and 2p −1 1/2 nl (n ≤ 5) of argon are determined. The present results show that the line widths of the electric quadrupole transitions of 2p −1 3/2 4p[5/2 + 3/2] 2 and the electric monopole one of 2p −1 3/2 4p[1/2] 0 are less than those of the dipole-allowed transitions. (atomic and molecular physics)

Excitation of epsilon-near-zero resonance in ultra-thin indium tin oxide shell embedded nanostructured optical fiber.

Science.gov (United States)

Minn, Khant; Anopchenko, Aleksei; Yang, Jingyi; Lee, Ho Wai Howard

2018-02-05

We report a novel optical waveguide design of a hollow step index fiber modified with a thin layer of indium tin oxide (ITO). We show an excitation of highly confined waveguide mode in the proposed fiber near the wavelength where permittivity of ITO approaches zero. Due to the high field confinement within thin ITO shell inside the fiber, the epsilon-near-zero (ENZ) mode can be characterized by a peak in modal loss of the hybrid waveguide. Our results show that such in-fiber excitation of ENZ mode is due to the coupling of the guided core mode to the thin-film ENZ mode. We also show that the phase matching wavelength, where the coupling takes place, varies depending on the refractive index of the constituents inside the central bore of the fiber. These ENZ nanostructured optical fibers have many potential applications, for example, in ENZ nonlinear and magneto-optics, as in-fiber wavelength-dependent filters, and as subwavelength fluid channel for optical and bio-photonic sensing.

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

One-phonon states in deformed nuclei for isoscalar and isovector interactions

International Nuclear Information System (INIS)

Malov, L.A.; Nesterenko, V.O.; Solov'ev, V.G.

1977-01-01

Extension of the formulas describing the one-phonon states of compound even-even deformed nuclei to the case when the isoscalar and isovector multipole-multipole forces are taken into account, is given. The formalism presented makes it possible to obtain an unified description of the low-lying states and gigantic multipole resonances. Procedure is developed which makes it possible to write down the reduced probability and energetically weighted sum rule in the form of force functions averaged over certain interval of energies. The procedure simplifies the calculations significantly and makes it possible to avoid solving the secular equation for energies of one-phonon states

Valence evaluation with approaching or withdrawing cues: directly testing valence-arousal conflict theory.

Science.gov (United States)

Wang, Yan Mei; Li, Ting; Li, Lin

2017-07-19

The valence-arousal conflict theory assumes that both valence and arousal will trigger approaching or withdrawing tendencies. It also predicts that the speed of processing emotional stimuli will depend on whether valence and arousal trigger conflicting or congruent motivational tendencies. However, most previous studies have provided evidence of the interaction between valence and arousal only, and have not provided direct proof of the interactive links between valence, arousal and motivational tendencies. The present study provides direct evidence for the relationship between approach-withdrawal tendencies and the valence-arousal conflict. In an empirical test, participants were instructed to judge the valence of emotional words after visual-spatial cues that appeared to be either approaching or withdrawing from participants. A three-way interaction (valence, arousal, and approach-withdrawal tendency) was observed such that the response time was shorter if participants responded to a negative high-arousal stimulus after a withdrawing cue, or to a positive low-arousal stimulus after an approaching cue. These findings suggest that the approach-withdrawal tendency indeed plays a crucial role in valence-arousal conflict, and that the effect depends on the congruency of valence, arousal and tendency at an early stage of processing.

Intruder states at the N=20 shell closure

International Nuclear Information System (INIS)

Heyde, K.

1991-01-01

It is indicated that mp-mh (multiple) excitations across closed shells can occur at low energy throughout the nuclear mass region. Besides the 4p-4h, 8p-8h configurations, that are deformed, coexisting low-lying excitations are mainly observed for light N=Z nuclei. A new class of 2p-2h intruder O + state is shown to exist in nuclei where a neutron excess is present. In the latter cases, the proton-neutron interaction energy between the excited 2p-2h configuration and the open shell accounts for a very specific mass dependence in the intruder excitation energy. The experimental evidence that corroborates the idea of intruder states will be given. (G.P.) 28 refs.; 13 figs

Dipole resonances in light neutron-rich nuclei studied with time-dependent calculations of antisymmetrized molecular dynamics

International Nuclear Information System (INIS)

Kanada-En'yo, Y.; Kimura, M.

2005-01-01

To study isovector dipole responses of neutron-rich nuclei, we applied a time-dependent method of antisymmetrized molecular dynamics. The dipole resonances in Be, B, and C isotopes were investigated. In 10 Be, 15 B, and 16 C, collective modes of the vibration between a core and valence neutrons cause soft resonances at the excitation energy E x =10-15 MeV below the giant dipole resonance (GDR). In 16 C, we found that a remarkable peak at E x =14 MeV corresponds to the coherent motion of four valence neutrons against a 12 C core, whereas the GDR arises in the E x >20 MeV region because of vibration within the core. In 17 B and 18 C, the dipole strengths in the low-energy region decline compared with those in 15 B and 16 C. We also discuss the energy-weighted sum rule for the E1 transitions

Thick-shell nanocrystal quantum dots

Science.gov (United States)

Hollingsworth, Jennifer A [Los Alamos, NM; Chen, Yongfen [Eugene, OR; Klimov, Victor I [Los Alamos, NM; Htoon, Han [Los Alamos, NM; Vela, Javier [Los Alamos, NM

2011-05-03

Colloidal nanocrystal quantum dots comprising an inner core having an average diameter of at least 1.5 nm and an outer shell, where said outer shell comprises multiple monolayers, wherein at least 30% of the quantum dots have an on-time fraction of 0.80 or greater under continuous excitation conditions for a period of time of at least 10 minutes.

Charge transfer and excitation in high-energy ion-atom collisions

International Nuclear Information System (INIS)

Schlachter, A.S.; Berkner, K.H.; McDonald, R.J.

1986-11-01

Coincidence measurements of charge transfer and simultaneous projectile electron excitation provide insight into correlated two-electron processes in energetic ion-atom collisions. Projectile excitation and electron capture can occur simultaneously in a collision of a highly charged ion with a target atom; this process is called resonant transfer and excitation (RTE). The intermediate excited state which is thus formed can subsequently decay by photon emission or by Auger-electron emission. Results are shown for RTE in both the K shell of Ca ions and the L shell of Nb ions, for simultaneous projectile electron loss and excitation, and for the effect of RTE on electron capture

Intermediate valence spectroscopy

International Nuclear Information System (INIS)

Gunnarsson, O.; Schoenhammer, K.

1987-01-01

Spectroscopic properties of intermediate valence compounds are studied using the Anderson model. Due to the large orbital and spin degeneracy N/sub f/ of the 4f-level, 1/N/sub f/ can be treated as a small parameter. This approach provides exact T = 0 results for the Anderson impurity model in the limit N/sub f/ → ∞, and by adding 1/N/sub f/ corrections some properties can be calculated accurately even for N/sub f/ = 1 or 2. In particular valence photoemission and resonance photoemission spectroscopies are studied. A comparison of theoretical and experimental spectra provides an estimate of the parameters in the model. Core level photoemission spectra provide estimates of the coupling between the f-level and the conduction states and of the f-level occupancy. With these parameters the model gives a fair description of other electron spectroscopies. For typical parameters the model predicts two structures in the f-spectrum, namely one structure at the f-level and one at the Fermi energy. The resonance photoemission calculation gives a photon energy dependence for these two peaks in fair agreement with experiment. The peak at the Fermi energy is partly due to a narrow Kondo resonance, resulting from many-body effects and the presence of a continuous, partly filled conduction band. This resonance is related to a large density of low-lying excitations, which explains the large susceptibility and specific heat observed for these systems at low temperatures. 38 references, 11 figures, 2 tables

Valence-band splitting energies in wurtzite InP nanowires: Photoluminescence spectroscopy and ab initio calculations

Science.gov (United States)

Gadret, E. G.; Dias, G. O.; Dacal, L. C. O.; de Lima, M. M., Jr.; Ruffo, C. V. R. S.; Iikawa, F.; Brasil, M. J. S. P.; Chiaramonte, T.; Cotta, M. A.; Tizei, L. H. G.; Ugarte, D.; Cantarero, A.

2010-09-01

We investigated experimentally and theoretically the valence-band structure of wurtzite InP nanowires. The wurtzite phase, which usually is not stable for III-V phosphide compounds, has been observed in InP nanowires. We present results on the electronic properties of these nanowires using the photoluminescence excitation technique. Spectra from an ensemble of nanowires show three clear absorption edges separated by 44 meV and 143 meV, respectively. The band edges are attributed to excitonic absorptions involving three distinct valence-bands labeled: A, B, and C. Theoretical results based on “ab initio” calculation gives corresponding valence-band energy separations of 50 meV and 200 meV, respectively, which are in good agreement with the experimental results.

Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

Science.gov (United States)

Andrés, Juan; Berski, Sławomir; Silvi, Bernard

2016-07-07

Probing the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet electron density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-electron pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the electronic domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant

Equivalence of the spherical and deformed shell-model approach to intruder states

International Nuclear Information System (INIS)

Heyde, K.; Coster, C. de; Ryckebusch, J.; Waroquier, M.

1989-01-01

We point out that the description of intruder states, incorporating particle-hole (p-h) excitation across a closed shell in the spherical shell model or a description starting from the Nilsson model are equivalent. We furthermore indicate that the major part of the nucleon-nucleon interaction, responsible for the low excitation energy of intruder states comes as a two-body proton-neutron quadrupole interaction in the spherical shell model. In the deformed shell model, quadrupole binding energy is gained mainly through the one-body part of the potential. (orig.)

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

Emotional Valence, Arousal, and Threat Ratings of 160 Chinese Words among Adolescents.

Science.gov (United States)

Ho, Samuel M Y; Mak, Christine W Y; Yeung, Dannii; Duan, Wenjie; Tang, Sandy; Yeung, June C; Ching, Rita

2015-01-01

This study was conducted to provide ratings of valence/pleasantness, arousal/excitement, and threat/potential harm for 160 Chinese words. The emotional valence classification (positive, negative, or neutral) of all of the words corresponded to that of the equivalent English language words. More than 90% of the participants, junior high school students aged between 12 and 17 years, understood the words. The participants were from both mainland China and Hong Kong, thus the words can be applied to adolescents familiar with either simplified (e.g. in mainland China) or traditional Chinese (e.g. in Hong Kong) with a junior secondary school education or higher. We also established eight words with negative valence, high threat, and high arousal ratings to facilitate future research, especially on attentional and memory biases among individuals prone to anxiety. Thus, the new emotional word list provides a useful source of information for affective research in the Chinese language.

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.

Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian; Zhang, Yong; Suo, Bingbing

2011-04-07

The excited states of open-shell systems calculated by unrestricted Kohn-Sham-based time-dependent density functional theory (U-TD-DFT) are often heavily spin-contaminated and hence meaningless. This is solved ultimately by the recently proposed spin-adapted time-dependent density functional theory (TD-DFT) (S-TD-DFT) [J. Chem. Phys. 133, 064106 (2010)]. Unlike the standard restricted open-shell Kohn-Sham-based TD-DFT (R-TD-DFT) which can only access the singlet-coupled single excitations, the S-TD-DFT can capture both the singlet- and triplet-coupled single excitations with the same computational effort as the U-TD-DFT. The performances of the three approaches (U-TD-DFT, R-TD-DFT, and S-TD-DFT) are compared for both the spin-conserving and spin-flip excitations of prototypical open-shell systems, the nitrogen (N(2)(+)) and naphthalene (C(10)H(8)(+)) cations. The results show that the S-TD-DFT gives rise to balanced descriptions of excited states of open-shell systems.

The use of dendrimers as high-performance shells for round-trip energy transfer: efficient trans-cis photoisomerization from an excited triplet state produced within a dendrimer shell.

Science.gov (United States)

Miura, Yousuke; Momotake, Atsuya; Takeuchi, Keiichirou; Arai, Tatsuo

2011-01-01

A series of stilbene-cored poly(benzyl ether) dendrimers with benzophenone peripheries were synthesized and their photophysical and photochemical properties were studied. Fluorescence studies revealed that singlet-singlet energy transfer (SSET) from the stilbene core to the benzophenone units took place efficiently in dendrimers of all generations. Similarly, phosphorescence and time-resolved spectroscopic measurements indicated efficient triplet-triplet energy transfer (TTET) from the benzophenone periphery to the stilbene core. Upon excitation at 310 nm, the stilbene core isomerizes via an energy round trip within the dendrimer shell. The quantum yields for the energy round trip (Φ(ERT)), defined as the product of the quantum yields of SSET, intersystem crossing, and TTET (Φ(ERT) = Φ(SS)Φ(isc)Φ(TT)), were extremely high for all generations--99%, 95% and 94% for G1, G2, and G3, respectively--which means that the excitation energy of the dendrimer core was transferred to the dendrimer periphery and back to the core almost quantitatively. The quantum yield for photoisomerization of G1-G3 via an energy round trip was higher than for other stilbene-cored dendrimers, which mainly isomerize from the excited singlet state. Photostability in the dendrimers was also demonstrated and discussed.

Band structure of Si/Ge core-shell nanowires along the [110] direction modulated by external uniaxial strain

International Nuclear Information System (INIS)

Peng Xihong; Tang Fu; Logan, Paul

2011-01-01

Strain modulated electronic properties of Si/Ge core-shell nanowires along the [110] direction were reported, on the basis of first principles density-functional theory calculations. In particular, the energy dispersion relationship of the conduction/valence band was explored in detail. At the Γ point, the energy levels of both bands are significantly altered by applied uniaxial strain, which results in an evident change of the band gap. In contrast, for the K vectors far away from Γ, the variation of the conduction/valence band with strain is much reduced. In addition, with a sufficient tensile strain (∼1%), the valence band edge shifts away from Γ, which indicates that the band gap of the Si/Ge core-shell nanowires experiences a transition from direct to indirect. Our studies further showed that effective masses of charge carriers can also be tuned using the external uniaxial strain. The effective mass of the hole increases dramatically with tensile strain, while strain shows a minimal effect on tuning the effective mass of the electron. Finally, the relation between strain and the conduction/valence band edge is discussed thoroughly in terms of site-projected wavefunction characters.

Fragmentation of high-spin particle-hole states in 26Mg

International Nuclear Information System (INIS)

Segel, R.E.; Amusa, A.; Geesaman, D.F.

1989-01-01

The inelastic scattering of 134 MeV protons to seven 6 - states in 26 Mg has been studied. By combining the results with those of a companion electron scattering study, and utilizing DWIA calculations, it has been possible to extract isoscalar and isovector excitation amplitudes. Shell model calculations using (1d 5/2 ) 10-n-p (2s 1/2 ) n (1f 7/2 ) p , with p = 0 and 1, model spaces can reproduce the general features of the fragmentation, but not the structure of the yrast 6 - state. 28 refs., 10 figs., 2 tabs

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.))

On the theory of phonoriton in cubic semiconductors with a degenerate valence band

International Nuclear Information System (INIS)

Nguyen Ai Viet; Nguyen Thi Que Huong; Le Qui Thong

1992-10-01

The ''phonoriton'' is an elementary excitation constructed from an exciton polariton and phonon in semiconductors under intense excitation by an electromagnetic wave near the exciton resonance (L.V. Keldysh and A.L. Ivanov, 1982). In this paper we develop a theory of phonoriton in direct band gap cubic semiconductor with a degenerate valence band using the simple model of J.L. Birman and B.S. Wang (1990). In addition to experimental proofs of the existence of phonoriton we propose an experiment to measure its flight time. (author). 33 refs

Coulomb Excitation of Neutron-Rich $A\\approx$140 Nuclei

CERN Multimedia

Van duppen, P L E

2002-01-01

Investigating the isospin dependence of the product between the B( E2; 0$_{1}^{+} \\rightarrow 2_{1}^{+}$)-value and the 2$_{1}^{+}$-excitation energy E$_{2^{+}}$ in even-even nuclei around $A\\!\\approx$140 one observes a rather smooth trend close to the valley of stability but clear indication for a reduction from the extrapolated B(E2)-values by one order of magnitude for some very neutron-rich nuclei. While close to the valley of stability the strong neutron-proton interaction results in an equilibration of the neutron and proton deformations with a predominate isoscalar character of the collective 2$^{+}$ excitation, it is conceivable that more loosely bound neutrons cannot polarize a close-to-magic proton core that well any more. This might result in a decoupling of the shape of the outer neutrons from the core and in a strong isovector admixture to the lowest lying 2$^{+}$ level. In this way the 2$^{+}$ -energies could be further lowered in neutron-rich nuclei, while the quadrupole moments of the proton c...

Coulomb excitation of neutron-rich $^{134-136}$Sn isotopes

CERN Multimedia

We propose to study excited states in the isotopes $^{134,136}$Sn by $\\gamma$-ray spectroscopy following "safe" Coulomb excitation. The experiment aims to investigate the evolution of quadrupole collectivity beyond the magic shell closure at N = 82 by the determination of B(E2) values and electric quadrupole moments $\\mathcal{Q}_2$. Recent shell-model calculations using realistic interactions predict possible enhanced collectivity in neutron-rich regions. Evidence for this could be obtained by this experiment. Furthermore, the currently unknown excitation energies of the 2$^+_{1}$ and 4$^+_{1}$ states in $^{136}$Sn will be measured for the first time.

Probing nuclear correlations with pion-nucleus double charge exchange

International Nuclear Information System (INIS)

Ginocchio, J.N.

1988-01-01

In this paper we have calculated the lowest order pion double charge reaction mechanism using shell model wavefunctions of medium weight nuclei. We have the sequential reaction mechanism in which the pion undergoes two single-charge exchange scatterings on the valence neutrons. The distortion of the incoming, intermediate, and outgoing pion are included. The closure approximation is made for the intermediate states with an average excitation energy used in the pion propagator. The double-charge exchange is assumed to take place on the valence nucleons which are assumed to be in one spherical shell model orbital. 34 refs., 5 figs., 3 tabs

How Precisely can we Determine the $\\piNN$ Coupling Constant from the Isovector GMO Sum Rule?

CERN Document Server

Loiseau, B; Thomas, A W

1999-01-01

The isovector GMO sum rule for zero energy forward pion-nucleon scattering iscritically studied to obtain the charged pion-nucleon coupling constant usingthe precise negatively charged pion-proton and pion-deuteron scattering lengthsdeduced recently from pionic atom experiments. This direct determination leadsto a pseudoscalar charged pion-nucleon coupling constant of 14.23 +- 0.09(statistic) +- 0.17 (systematic). We obtain also accurate values for thepion-nucleon scattering lengths.

Valence effects of sorption: laboratory control of valence state

International Nuclear Information System (INIS)

Meyer, R.E.; Arnold, W.D.; Case, F.I.

1984-01-01

Estimation of the rates of migration of nuclides from nuclear waste repositories required knowledge of the interaction of these nuclides with the components of the geological formations in the path of the migration. These interactions will be dependent upon the valence state and speciation of the nuclide. If the valence state is not known, then there can be little confidence in use of the data for safety analysis. An electrochemical method of valence state control was developed which makes use of a porous electrode in a flow system containing a column of the adsorbent. By use of this method and solvent extraction analyses of the valence states, a number of reactions of interest to HLW repositories were investigated. These include the reduction of Np(V) and Tc(VII) by crushed basalt and other minerals. For the reduction of Np(V) by basalt, the experiments indicate that sorption on basalt increases with pH and that most of the Np is reduced to Np(IV). The adsorbed Np(IV) is very difficult to remove from the basalt. For the experiments with Tc(VII), the results are considerably more complicated. The results of these experiments are used to assess some of the techniques and methods currently used in safety analyses of proposed HLW repositories. Perhaps the most important consideration is that predictive modeling of valence change reactions, such as the reduction of Np(V) and Tc(VII), must be used with considerable caution, and the occurrence of such reactions should be verified as best as possible with experiments using valence state control and analyses. 13 references, 3 figures, 1 table

Ionic fragmentation of the isoprene molecule in the VUV energy range (12 to 310 eV)

Energy Technology Data Exchange (ETDEWEB)

Bernini, R.B., E-mail: rafael.bernini@ifrj.edu.br [Instituto Federal de Ciência e Tecnologia do Rio de Janeiro (IFRJ), 25050-100 Duque de Caxias, RJ (Brazil); Coutinho, L.H. [Instituto de Física, Universidade Federal do Rio De Janeiro (UFRJ), 21941-972 Rio de Janeiro, RJ (Brazil); Nunez, C.V. [Laboratório de Bioprospecção e Biotecnologia, Coordenação de Tecnologia e Inovação, Instituto Nacional de Pesquisas da Amazônia (INPA), 69060-001 Manaus, AM (Brazil); Castilho, R.B. de [Departamento de Química, Instituto de Ciências Exatas, Universidade Federal do Amazonas (UFAM), 69077-000 Manaus, AM (Brazil); Souza, G.G.B. de [Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), 21949-900 Rio de Janeiro, RJ (Brazil)

2015-07-15

Highlights: • Ionic fragmentation of isoprene following valence-shell and C 1s excitation. • Experimental observation of single and double ionization processes. • Large increase in fragmentation following core excitation. • Similar dissociation pattern bellow (270 eV) and above (310 eV) core edge. • Stable molecular ion observed at all photon energies. - Abstract: Isoprene, C{sub 5}H{sub 8}, is a biogenic volatile compound emitted from plants and animals, playing an important role in atmospheric chemistry. In this work, we have studied the ionic fragmentation of the isoprene molecule induced by high energy photons (synchrotron radiation), both at the valence (12.0, 14.0, 16.0, 18.0, and 21.0 eV) and carbon 1s edge (270 and 310 eV, respectively, below and above edge) energies. The ionic fragments were mass-analyzed using a Wiley–McLaren time-of-flight spectrometer (TOF) and single (PEPICO) and double ionization coincidence (PEPIPICO) spectra were obtained. As expected, the fragmentation degree increases with increasing energy. Below and above the carbon 1s edge, the fragmentation patterns are quite similar, and basically the same fragments are observed as compared to the spectra following valence-shell ionization. Stable doubly-charged ions were not observed. A PEPIPICO spectrum has shown that the main dissociation route for doubly-ionized species corresponds to the [CH{sub 3}]{sup +}/[C{sub 4}H{sub 2–5}]{sup +} ion pair. Intense fragmentation of the isoprene molecule has been observed following valence shell and core electron ionization. The observance of basically the same fragments when moving from valence to inner-shell suggests that basically the same fragmentation routes are present in both cases. All doubly (or multiply)-charged cations are unstable, at least on a microsecond scale.

Generalized Veneziano model for pion scattering off isovector currents and the scaling limit

CERN Document Server

Rothe, H J; Rolhe, K D

1972-01-01

Starting from a local one-particle approximation scheme for the commutator of two conserved currents, the authors construct a generalized Veneziano model for pion scattering off neutral and charged isovector currents, satisfying the constraints of current conservation and current algebra. The model factorizes correctly on the leading Regge trajectories and incorporates the proper Regge behaviour for strong amplitudes. Fixed poles are found to be present in the s and t channels of the one- and two-current amplitudes. Furthermore, the model makes definite predictions about the structure of Schwinger terms and of the 'seagull' terms in the retarded commutator. (13 refs).

Nuclear shell effects at high temperatures

International Nuclear Information System (INIS)

Davidson, N.J.; Miller, H.G.

1993-01-01

In discussing the disappearance of nuclear shell effects at high temperatures, it is important to distinguish between the ''smearing out'' of the single-particle spectrum with increasing temperature and the vanishing of shell related structures in many-body quantities such as the excitation energy per nucleon. We propose a semiempirical method to obtain an upper bound on the temperature required to smooth the single-particle spectrum, and point out that shell effects in many-body parameters may persist above this temperature. We find that the temperature required to smear out the single-particle spectrum is approximately 1 MeV for heavy nuclei (A approx-gt 150) and about 3--4 MeV for light nuclei (A approx-lt 50), in reasonable agreement with the estimate of 41/πA 1/3 obtained from calculations with harmonic oscillator potentials. These temperatures correspond to many-body excitation energies of approximately 20 and 60 MeV, respectively

Perturbation theory instead of large scale shell model calculations

International Nuclear Information System (INIS)

Feldmeier, H.; Mankos, P.

1977-01-01

Results of large scale shell model calculations for (sd)-shell nuclei are compared with a perturbation theory provides an excellent approximation when the SU(3)-basis is used as a starting point. The results indicate that perturbation theory treatment in an SU(3)-basis including 2hω excitations should be preferable to a full diagonalization within the (sd)-shell. (orig.) [de

High-resolution inner-shell spectroscopies of free atoms and molecules using soft-x-ray beamlines at the third-generation synchrotron radiation sources

International Nuclear Information System (INIS)

Ueda, Kiyoshi

2003-01-01

This article reviews the current status of inner-shell spectroscopies of free atoms and molecules using high-resolution soft-x-ray monochromators installed in the soft-x-ray beamlines at the third-generation synchrotron radiation facilities. Beamlines and endstations devoted to atomic and molecular inner-shell spectroscopies and various types of experimental techniques, such as ion yield spectroscopy, resonant photoemission spectroscopy and multiple-coincidence momentum imaging, are described. Experimental results for K-shell excitation of Ne, O K-shell excitation of H 2 O and CO 2 , C K-shell excitation and ionization of CO 2 and B K-shell excitation of BF 3 , obtained at beamline 27SU of SPring-8 in Japan, are discussed as examples of atomic and molecular inner-shell spectroscopies using the third-generation synchrotron radiation sources. (topical review)

Evidence for Increased neutron and proton excitations between Mn51−63

Directory of Open Access Journals (Sweden)

C. Babcock

2015-11-01

Full Text Available The hyperfine structures of the odd-even 51−63Mn atoms (N=26−38 were measured using bunched beam collinear laser spectroscopy at ISOLDE, CERN. The extracted spins and magnetic dipole moments have been compared to large-scale shell-model calculations using different model spaces and effective interactions. In the case of 61,63Mn, the results show the increasing importance of neutron excitations across the N=40 subshell closure, and of proton excitations across the Z=28 shell gap. These measurements provide the first direct proof that proton and neutron excitations across shell gaps are playing an important role in the ground state wave functions of the neutron-rich Mn isotopes.

Isovector pairing effect on the particle-number projection two-proton separation energy

Energy Technology Data Exchange (ETDEWEB)

Mokhtari, Djamila; Kerrouchi, Slimane [Laboratoire de Physique Theorique, Faculte de Physique, Algiers (Algeria); Fellah, Mohamed; Allal, Nassima-Hosni [Laboratoire de Physique Theorique, Faculte de Physique, Algiers (Algeria); Centre de Recherche Nucleaire d' Alger, Comena, Algiers (Algeria)

2009-07-01

The two-proton separation energy is studied by performing a particle-number projection with and without inclusion of the isovector neutron-proton (np) pairing correlations. It is numerically evaluated for even-even rare-earth nuclei such that the np pairing parameter is non-zero. It is shown that the two-proton separation energy values calculated using the two approaches join, for almost all the considered elements, for the highest values of (N-Z). However, the results including the np pairing correlations are closest to the experimental data when available. Moreover, the two methods lead to the same prediction of the two-proton drip-line position, except for the Dysprosium and the Tungsten.

Effect of high lying states on the ground and few low lying excited O+ energy levels of some closed-shell nuclei

International Nuclear Information System (INIS)

Ayoub, N.Y.

1980-02-01

The ground and some excited O + (J=O, T=O positive parity) energy levels of closed-shell nuclei are examined, in an oscillator basis, using matrix techniques. The effect of states outside the mixed (O+2(h/2π)ω). model space in 4 He (namely configurations at 4(h/2π)ω excitation) are taken into account by renormalization using the generalized Rayleigh-Schroedinger perturbation expressions for a mixed multi-configurational model space, where the resultant non-symmetric energy matrices are diagonalized. It is shown that the second-order renormalized O + energy spectrum is close to the corresponding energy spectrum obtained by diagonalizing the O+2+4(h/2π)ω 4 He energy matrix. The effect, on the ground state and the first few low-lying excited O + energy levels, of renormalizing certain parts of the model space energy matrix up to second order in various approximations is also studied in 4 He and 16 O. It is found that the low-lying O + energy levels in these various approximations behave similarly in both 4 He and 16 O. (author)

Study of single-electron excitations by electron microscopy

International Nuclear Information System (INIS)

Craven, A.J.; Gibson, J.M.; Howie, A.; Spalding, D.R.

1978-01-01

The inelastic scattering of fast electrons by the excitation of L-shell electrons at a stacking fault in silicon has been studied with a scanning transmission electron microscope. It was found that the bright-field stacking fault contrast is preserved in the filtered L-shell-loss signal at 100 eV. This result is discussed in terms of the delocalization of the excitation mechanism. It is concluded that localization effects will typically become significant only for energy transfers greater than 1 keV from a fast electron of energy 80 keV. (author)

High-resolution K-shell spectra from laser excited molybdenum plasmas

Directory of Open Access Journals (Sweden)

Szabo C.I.

2013-11-01

Full Text Available X-ray spectra from Molybdenum plasmas were recorded by a Cauchois-type cylindrically bent Transmission Crystal Spectrometer (TCS. The absolutely calibrated spectrometer provides an unprecedented resolution of inner shell transitions (K x-ray radiation. This tool allows us to resolve individual lines from different charge states existing inside the laser-produced plasma. The inner shell transitions from highly charged Molybdenum shown in this report have never been resolved before in such detail in a laser-produced plasma.

Gamow-Teller strength functions from (→p,→p') scattering experiments

International Nuclear Information System (INIS)

Hausser, O.

1987-01-01

We present here recent (→p, →'p) results from TRIUMF that are relevant to the determination of spin-flip isovector strength functions in nuclei. Distortion factors needed for the extraction of nuclear-structure information have been deduced from cross sections and analyzing powers in elastic scattering for several energies and targets. Nonrelativistic optical potentials obtained by folding effective nucleon (N)-nucleus interactions with nuclear densities are found to overpredict both elastic and reaction cross sections, whereas Dirac calculations that include Pauli blocking are in good agreement with the data. Spin observables (S nn and A y ) for the quasi-elastic region in 54 Fe(→p, →p) at 290 MeV provide some evidence for the reduction of the effective proton mass predicted in relativistic mean-field theories as a consequence of the attractive scalar field in the nuclear medium. The energy dependence of the effective N-nucleus interaction at small momentum transfers has been investigated using isoscalar and isovector 1 + states in 28 Si as probe states. We find that the cross sections for the isovector transitions are in good agreement with predictions for the dominant Vστ part of the Franey-Love interaction. Gamow-Teller (GT) strength functions have been obtained in 24 Mg and 54 Fe from measurements of both cross sections and spin-flip probabilities S nn . The spin-flip cross sections σS nn are particularly useful in heavier nuclei to discriminate against a continuous background of ΔS = 0 excitations. In the (s, d) shell where full shell-model wave functions are available, the GT quenching factors (g A eff / g A free ) 2 ≅ 0.7 are in good agreement with those from recent (p, n) and (n, p) experiments. We show that a state-by-state comparison of (p, p') and (e, e') results has the potential of identifying pionic current contributions in (e, e'). The GT quenching factors in 54 Fe are smaller than in the (s, d) shell probably because of severely

Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons

International Nuclear Information System (INIS)

Kumar, V.

1992-10-01

From studies on some clusters of metals and semiconductors, there appear some similarities in the structure of clusters with a given number of atoms and having the number of valence electrons corresponding to a shell closing. Here we present results of the atomic and electronic structure of a few other clusters with 20 and 40 valence electrons, namely Sb 4 , Sn 5 and Sb 8 using the density functional molecular dynamics method. We suggest that the similarities in the structure and deviation from them may help to understand bonding characteristics in clusters and its evolution to bulk behaviour. Our results on Sb 8 cluster are preliminary but indicate that above room temperature its structure is two weakly interacting tetrahedra which is in general agreement with the observation of predominently antimony tetramers at T > 300 K. (author). 16 refs, 2 figs

Effects of cluster-shell competition and BCS-like pairing in 12C

Science.gov (United States)

Matsuno, H.; Itagaki, N.

2017-12-01

The antisymmetrized quasi-cluster model (AQCM) was proposed to describe α-cluster and jj-coupling shell models on the same footing. In this model, the cluster-shell transition is characterized by two parameters, R representing the distance between α clusters and Λ describing the breaking of α clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α-cluster model wave function. Not only the closure configurations of the major shells but also the subclosure configurations of the jj-coupling shell model can be described starting with the α-cluster model wave functions; however, the particle-hole excitations of single particles have not been fully established yet. In this study we show that the framework of AQCM can be extended even to the states with the character of single-particle excitations. For ^{12}C, two-particle-two-hole (2p2h) excitations from the subclosure configuration of 0p_{3/2} corresponding to a BCS-like pairing are described, and these shell model states are coupled with the three α-cluster model wave functions. The correlation energy from the optimal configuration can be estimated not only in the cluster part but also in the shell model part. We try to pave the way to establish a generalized description of the nuclear structure.

Structural Acoustic Physics Based Modeling of Curved Composite Shells

Science.gov (United States)

2017-09-19

NUWC-NPT Technical Report 12,236 19 September 2017 Structural Acoustic Physics -Based Modeling of Curved Composite Shells Rachel E. Hesse...SUBTITLE Structural Acoustic Physics -Based Modeling of Curved Composite Shells 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT...study was to use physics -based modeling (PBM) to investigate wave propagations through curved shells that are subjected to acoustic excitation. An

L-shell x-ray fluorescence computed tomography (XFCT) imaging of Cisplatin

International Nuclear Information System (INIS)

Bazalova, Magdalena; Ahmad, Moiz; Pratx, Guillem; Xing, Lei

2014-01-01

X-ray fluorescence computed tomography (XFCT) imaging has been focused on the detection of K-shell x-rays. The potential utility of L-shell x-ray XFCT is, however, not well studied. Here we report the first Monte Carlo (MC) simulation of preclinical L-shell XFCT imaging of Cisplatin. We built MC models for both L- and K-shell XFCT with different excitation energies (15 and 30 keV for L-shell and 80 keV for K-shell XFCT). Two small-animal sized imaging phantoms of 2 and 4 cm diameter containing a series of objects of 0.6 to 2.7 mm in diameter at 0.7 to 16 mm depths with 10 to 250 µg mL −1  concentrations of Pt are used in the study. Transmitted and scattered x-rays were collected with photon-integrating transmission detector and photon-counting detector arc, respectively. Collected data were rearranged into XFCT and transmission CT sinograms for image reconstruction. XFCT images were reconstructed with filtered back-projection and with iterative maximum-likelihood expectation maximization without and with attenuation correction. While K-shell XFCT was capable of providing an accurate measurement of Cisplatin concentration, its sensitivity was 4.4 and 3.0 times lower than that of L-shell XFCT with 15 keV excitation beam for the 2 cm and 4 cm diameter phantom, respectively. With the inclusion of excitation and fluorescence beam attenuation correction, we found that L-shell XFCT was capable of providing fairly accurate information of Cisplatin concentration distribution. With a dose of 29 and 58 mGy, clinically relevant Cisplatin Pt concentrations of 10 µg mg −1  could be imaged with L-shell XFCT inside a 2 cm and 4 cm diameter object, respectively. (paper)

Hot rotating fp shell Fe isotopes near proton drip line

International Nuclear Information System (INIS)

Aggarwal, Mamta

2003-01-01

F p shell 44-58 Fe nuclei have been investigated in highly excited state using the statistical theory of hot rotating nucleus. Effects of thermal and rotational excitation at drip line nuclei are studied

Penetration of steady fluid motions into an outer stable layer excited by MHD thermal convection in rotating spherical shells

Science.gov (United States)

Takehiro, Shin-ichi; Sasaki, Youhei

2018-03-01

Penetration of steady magneto-hydrodynamic (MHD) disturbances into an upper strongly stratified stable layer excited by MHD thermal convection in rotating spherical shells is investigated. The theoretical model proposed by Takehiro (2015) is reexamined in the case of steady fluid motion below the bottom boundary. Steady disturbances penetrate into a density stratified MHD fluid existing in the semi-infinite region in the vertical direction. The axis of rotation of the system is tilted with respect to the vertical. The basic magnetic field is uniform and may be tilted with respect to the vertical and the rotation axis. Linear dispersion relation shows that the penetration distance with zero frequency depends on the amplitude of Alfvén wave speed. When Alfvén wave speed is small, viscous diffusion becomes dominant and penetration distance is similar to the horizontal scale of the disturbance at the lower boundary. In contrast, when Alfvén wave speed becomes larger, disturbance can penetrate deeper, and penetration distance becomes proportional to the Alfvén wave speed and inversely proportional to the geometric average of viscous and magnetic diffusion coefficients and to the total horizontal wavenumber. The analytic expression of penetration distance is in good agreement with the extent of penetration of mean zonal flow induced by finite amplitude convection in a rotating spherical shell with an upper stably stratified layer embedded in an axially uniform basic magnetic field. The theory expects that the stable layer suggested in the upper part of the outer core of the earth could be penetrated completely by mean zonal flows excited by thermal/compositional convection developing below the stable layer.

Gamow teller strength from n-nucleus scattering

International Nuclear Information System (INIS)

Haeusser, O.

1989-08-01

Detailed studies of the spin-isospin structure of nuclear excitations are possible at TRIUMF's medium resolution spectrometer using the (n,p), ( p → , p →/ and (p,n) reactions. We discuss here results on isospin symmetry of inelastic nucleon scattering reactions populating isospin triads in A=6 and A=12 nuclei. The empirical ratio of L=0 isovector spin flip cross sections at 200-450 MeV and B(GT) for strong Gamow-Teller transitions in p-shell nuclei is found to be larger than calculated in the DWIA using a free NN t-matrix. Based on empirical values of σ/B(GT) the β + Gamow Teller strength function from (n,p) reactions on (sd) and (fp) shell targets is substantially quenched compared to current nuclear structure models using the free-nucleon axial-vector coupling constant. (Author) 33 refs., 6 figs

Theoretical nuclear physics. Task B. Technical progress report, August 1, 1982-September 30, 1983

International Nuclear Information System (INIS)

1983-01-01

Progress is reported on the following studies: (a) double delta interactions in pion double charge exchange; (b) isovector correlations in pion-nucleus scattering; (c) nuclear structure effects in pion single charge exchange; (d) a perspective on sequential transfer reactions; (e) inelastic and charge exchange scattering theory; (f) magnitude of the first order DWBA description of the two nuclear transfer reactions; (g) nonlocality effects on deuteron transfer reactions; (h) evaluation of external radial integrals in inelastic electron scattering; (i) experimental observables as a function of Dirac invariant amplitudes; (j) Dirac shell-model wavefunctions in inelastic electron scattering; and (k) impulse approximation Dirac theory of inelastic proton nucleus collective excitations. Publications are listed

Response of a shell structure subject to distributed harmonic excitation

International Nuclear Information System (INIS)

Cao, Rui; Bolton, J. Stuart

2016-01-01

Previously, a coupled, two-dimensional structural-acoustic ring model was constructed to simulate the dynamic and acoustical behavior of pneumatic tires. Analytical forced solutions were obtained and were experimentally verified through laser velocimeter measurement made using automobile tires. However, the two-dimensional ring model is incapable of representing higher order, in-plane modal motion in either the circumferential or axial directions. Therefore, in this paper, a three-dimensional pressurized circular shell model is proposed to study the in-plane shearing motion and the effect of different forcing conditions. Closed form analytical solutions were obtained for both free and forced vibrations of the shell under simply supported boundary conditions. Dispersion relations were calculated and different wave types were identified by their different speeds. Shell surface mobility results under various input distributions were also studied and compared. Spatial Fourier series decompositions were also performed on the spatial mobility results to give the forced dispersion relations, which illustrate clearly the influence of input force spatial distribution. Such a model has practical application in identifying the sources of noise and vibration problems in automotive tires. (paper)

Multi-shelled ZnCo2O4 yolk-shell spheres for high-performance acetone gas sensor

Science.gov (United States)

Xiong, Ya; Zhu, Zongye; Ding, Degong; Lu, Wenbo; Xue, Qingzhong

2018-06-01

In the present study, multi-shelled ZnCo2O4 yolk-shell spheres have been successfully prepared by using carbonaceous microspheres as templates. It is found that the multi-shelled ZnCo2O4 yolk-shell spheres based sensor shows optimal sensing performances (response value of 38.2, response/recovery time of 19 s/71 s) toward 500 ppm acetone at 200 °C. In addition, this sensor exhibits a low detection limit of 0.5 ppm acetone (response value of 1.36) and a good selectivity toward hydrogen, methane, ethanol, ammonia and carbon dioxide. Furthermore, it is demonstrated that acetone gas response of multi-shelled ZnCo2O4 yolk-shell spheres is significantly better than that of ZnCo2O4 nanotubes and ZnCo2O4 nanosheets. High acetone response of the multi-shelled ZnCo2O4 yolk-shell spheres is attributed to the enhanced gas accessibility of the multi-shell morphology caused by the small crystalline size and high specific surface area while the short response/recovery time is mainly related to the rapid gas diffusion determined by the highly porous structure. Our work puts forward an exciting opportunity in designing various yolk-shelled structures for multipurpose applications.

Damping of isovector giant dipole resonances in hot even-even spherical nuclei

International Nuclear Information System (INIS)

Dang, N.D.

1989-01-01

An approach based on the finite temperature quasiparticle phonon nuclear model (FT-QPNM) with the couplings to (2p2h) states at finite temperature taken into account is suggested for calculations of the damping of giant multipole resonances in hot even-even spherical nuclei. The strength functions for the isovector giant dipole resonance (IV-GDR) are calculated in 58 Ni and 90 Zr for a range of temperatures up to 3 MeV. The results show that the contribution of the interactions with (2p2h) configurations to the IV-GDR spreading width changes weakly with varying temperature. The IV-GDR centroid energy decreases slightly with increasing temperature. The nonvanishing superfluid pairing gap due to thermal fluctuations is included. (orig.)

New formalism for determining excitation spectra of many-body systems

International Nuclear Information System (INIS)

Saito, S.; Zhang, S.B.; Louie, S.G.; Cohen, M.L.

1990-01-01

We present a new general formalism for determining the excitation spectrum of interacting many-body systems. The basic assumption is that the number of the excitations is equal to the number of sites. Within this approximation, it is shown that the density-density response functions with two different pure-imaginary energies determine the excitation spectrum. The method is applied to the valence electrons of sodium clusters of differing sizes in the time-dependent local-density approximation (TDLDA). A jellium-sphere background model is used for the ion cores. The excitation spectra obtained in this way represent well the excitation spectra given by the full TDLDA calculation along the real energy axis. Important collective modes are reproduced very well

Isospin and spin-isospin modes in nuclei

International Nuclear Information System (INIS)

Zegers, R.G.T.; Berg, A.M. van den; Brandenburg, S.

2002-01-01

The ( 3 He,t) reaction on Pb at E 3He =177 MeV and the subsequent decay by proton emission were studied in order to distinguish isovector monopole strength corresponding to 2ℎω transitions from the non-resonant continuum background. Monopole strength at excitation energies above 25 MeV was discovered and compared to the calculated strength due to the isovector giant monopole resonance and the spin-flip isovector monopole resonance. Calculations in a normal-modes framework show that all isovector monopole strength can be accounted for if the branching ratio for decay by proton emission is 20%. (author)

Ab initio calculations of dissociative excitation of water and methane molecules upon electron impact at low energies

International Nuclear Information System (INIS)

Gil, T.J.; McCurdy, C.W.; Rescigno, T.N.; Lengsfield, B.H. III

1994-01-01

The authors are reporting results of ab-initio calculations of electron-impact excitation of water and methane occurring at scattering energies up to 60 eV. The authors consider dissociative excited states of both systems since the understanding of their chemistry has considerable importance in plasma technology and atmospheric research. In the case of methane the authors are dealing with the promotion of a valence electron into Rydberg orbitals, while in water the excited states have one electron in an antibonding unoccupied valence orbital and support Feshbach resonances. The authors discuss issues related to convergence of the close-coupling expansion in the case of Rydberg excitation, where the authors have coupled up to 16 channels. The practical realization of the calculation within the framework of the complex Kohn variational principle represents merging of quantum chemistry and quantum scattering theory and is also discussed

One-pion exchange current corrections for nuclear magnetic moments in relativistic mean field theory

International Nuclear Information System (INIS)

Li Jian; Yao, J.M.; Meng Jie; Arima, Akito

2011-01-01

The one-pion exchange current corrections to isoscalar and isovector magnetic moments of double-closed shell nuclei plus and minus one nucleon with A = 15, 17, 39 and 41 have been studied in the relativistic mean field (RMF) theory and compared with previous relativistic and non-relativistic results. It has been found that the one-pion exchange current gives a negligible contribution to the isoscalar magnetic moments but a significant correction to the isovector ones. However, the one-pion exchange current enhances the isovector magnetic moments further and does not improve the corresponding description for the concerned nuclei in the present work. (author)

Taking account of valence and core electronic wavefunction orthogonality in the semiempirical molecular orbital calculations

International Nuclear Information System (INIS)

Ginejtite, V.L.; Balyavichyus, L.Z.

1979-01-01

Some shortcomings of the semiempirical method CNDO/1 (complete naglect of differential overlap) taking into account wave function orthogonalities of outer valence electrons to inner shells are being explained. To avoid these shortcomings the introduction of pseudopotential is recommended. Addition of the potential excludes overestimation of attraction among chemically unbounded atoms, corrects underestimation of the single, double and triple S-S coupling, gives reasons for some suppositions of the semiempirical methods, gives a truthful distribution of the electronic levels

Nuclear matter in relativistic mean field theory with isovector scalar meson.

Energy Technology Data Exchange (ETDEWEB)

Kubis, S.; Kutschera, M. [Institute of Nuclear Physics, Cracow (Poland)

1996-12-01

Relativistic mean field (RMF) theory of nuclear matter with the isovector scalar mean field corresponding to the {delta}-meson [a{sub 0}(980)] is studied. While the {delta}-meson field vanishes in symmetric nuclear matter, it can influence properties of asymmetric nuclear matter in neutron stars. The RMF contribution due to {delta}-field to the nuclear symmetry energy is negative. To fit the empirical value, E{sub s}{approx}30 MeV, a stronger {rho}-meson coupling is required than in absence of the {delta}-field. The energy per particle of neutron star matter is than larger at high densities than the one with no {delta}-field included. Also, the proton fraction of {beta}-stable matter increases. Splitting of proton and neutron effective masses due to the {delta}-field can affect transport properties of neutron star matter. (author). 4 refs, 6 figs.

Nuclear matter in relativistic mean field theory with isovector scalar meson

International Nuclear Information System (INIS)

Kubis, S.; Kutschera, M.

1996-12-01

Relativistic mean field (RMF) theory of nuclear matter with the isovector scalar mean field corresponding to the δ-meson [a 0 (980)] is studied. While the δ-meson field vanishes in symmetric nuclear matter, it can influence properties of asymmetric nuclear matter in neutron stars. The RMF contribution due to δ-field to the nuclear symmetry energy is negative. To fit the empirical value, E s ∼30 MeV, a stronger ρ-meson coupling is required than in absence of the δ-field. The energy per particle of neutron star matter is than larger at high densities than the one with no δ-field included. Also, the proton fraction of β-stable matter increases. Splitting of proton and neutron effective masses due to the δ-field can affect transport properties of neutron star matter. (author). 4 refs, 6 figs

Neutron scattering studies of mixed-valence semiconductors

Energy Technology Data Exchange (ETDEWEB)

Mignot, J M [Laboratoire Leon Brillouin (LLB) - Centre d` Etudes de Saclay, 91 - Gif-sur-Yvette (France); Alekseev, P A [Kurchatov Institute, Moscow (Russian Federation)

1994-12-31

Neutron scattering experiments on the mixed-valence (MV) compounds SmB{sub 6} are reported. The inelastic magnetic response of SmB{sub 6} at T = 2 K, measured on a double-isotope single crystal,displays a strongly damped peak at 35 meV corresponding to the inter multiplet transition of Sm{sup 2+}. At lower energies ( h.{omega} {approx_equal} 14 meV), a narrow magnetic excitation is observed, with remarkable scattering-vector and temperature dependences of its intensity. This novel feature is discussed in terms of recent theoretical works describing the formation of an anisotropic local bound state in semiconducting MV materials. If the average samarium valence is decreased by substituting La for Sm, a peak is found to appear at high energies. The elastic magnetic form factor of SmB{sub 6} was determined using polarised neutrons and no significant difference is observed in its Q-dependence with respect to that of pure divalent samarium. This surprising behaviour is constant with previous measurements on the gold (high-pressure) phase of SmS. The above results are compared to those already reported for other MV materials. In particular existing information for TmSe is supplemented by recent inelastic scattering measurements carried out on a large stoichiometric single crystal. (author). 44 refs., 7 figs.

THREE-VALENCE-PARTICE NUCLEI IN THE 132Sn and 208 Pb REGIONS

International Nuclear Information System (INIS)

Benchikh, L.; Draoui, B.; Latfaoui, M.; Aissaoui, L.

2011-01-01

Full text: Among the nuclei of the nuclear charter, the nuclei around closed shells play a key role in understanding the effective interaction properties between nucleons far from the valley of stability; particulary, the nuclei of a few valence nucleons around doubly magic 208 28Pb126 and 132 50Sn82 nuclei. The interest of both regions 208Pb and 132Sn lies in the fact that there is a great similarity between their nuclear spectroscopic properties. The single energy gaps in both cases are comparable and the orbitals above and below these gaps are similarly ordered. Each single state in the region of 132Sn has its counterpart in that of 208Pb. An interesting predictive consequence, the interactions of the Sn region, difficult region to reach experimentally, can be estimated from their corresponding ones constructed to describe the nuclei of the Pb region. Because of the importance of the similarity existing between the spectroscopy of these two regions, we are interested in nuclei with three valence nucleons in the lead and Tin regions on the basis of experimental data (spin, parity and energy states). In this context, the theoretical study is conducted within the shell model using the MSDI interaction for the energy spectra calculations of the studied nuclei. The calculated results are in good agreement with the available experimental data and show evidence that a close resemblance between the spectroscopy of these two regions persists when moving away from the immediate neighbours of doubly magic 132Sn and 208Pb.

Neutrinoless double-β decay matrix elements in large shell-model spaces with the generator-coordinate method

Science.gov (United States)

Jiao, C. F.; Engel, J.; Holt, J. D.

2017-11-01

We use the generator-coordinate method (GCM) with realistic shell-model interactions to closely approximate full shell-model calculations of the matrix elements for the neutrinoless double-β decay of 48Ca, 76Ge, and 82Se. We work in one major shell for the first isotope, in the f5 /2p g9 /2 space for the second and third, and finally in two major shells for all three. Our coordinates include not only the usual axial deformation parameter β , but also the triaxiality angle γ and neutron-proton pairing amplitudes. In the smaller model spaces our matrix elements agree well with those of full shell-model diagonalization, suggesting that our Hamiltonian-based GCM captures most of the important valence-space correlations. In two major shells, where exact diagonalization is not currently possible, our matrix elements are only slightly different from those in a single shell.

Gamow-Teller strength functions from N-nucleus scattering experiments at 200-400 MeV

International Nuclear Information System (INIS)

Haeusser, O.; British Columbia Univ., Vancouver; Vetterli, M.C.

1988-01-01

Recent measurements of (n,p), (p vector, p vector') and (p,n) reactions at TRIUMF have made possible a detailed examination of the spin-isospin structure of nuclear excitations up to 50 MeV. Cross sections for 54 Fe(n,p) 54 Mn and spin-flip cross sections for 54 Fe (p vector, p vector') near 300 MeV have been used to estimate the nuclear response for different multipoles L, spin transfers (ΔS = 0,1), and isospins of the residual nucleus (T f = 1,2). Qualitative features of the spin-flip probabilities in (p vector, p vector') are in good agreement with recent surface-RPA calculations. Between 200 and 400 MeV the ΔL=0 spin-flip isovector component is well described by the central part V στ of the Franey-Love interaction. The Gamow-Teller strength S + in 54 Fe, which is of significance in models of pre-collapse supernovae, is found to be smaller by a factor of two than the best available shell model calculations. In (sd)-shell nuclei ( 24,26 Mg, 28 Si) about (70±15)% of the Gamow-Teller strength predicted by untruncated shell-model calculations is found at low excitation. (orig.)

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

Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.

Science.gov (United States)

Sayfutyarova, Elvira R; Sun, Qiming; Chan, Garnet Kin-Lic; Knizia, Gerald

2017-09-12

We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multiconfiguration and multireference (MR) electronic structure calculations. Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d orbitals in a coordination complex). This is achieved via a linear transformation of the occupied and unoccupied orbital spaces from an easily obtainable single-reference wave function (such as from a Hartree-Fock or Kohn-Sham calculations) based on projectors to targeted atomic valence orbitals. We discuss the premises, theory, and implementation of the idea, and several of its variations are tested. To investigate the performance and accuracy, we calculate the excitation energies for various transition-metal complexes in typical application scenarios. Additionally, we follow the homolytic bond breaking process of a Fenton reaction along its reaction coordinate. While the described AVAS technique is not a universal solution to the active space problem, its premises are fulfilled in many application scenarios of transition-metal chemistry and bond dissociation processes. In these cases the technique makes MR calculations easier to execute, easier to reproduce by any user, and simplifies the determination of the appropriate size of the active space required for accurate results.

The alpha-particle and shell models of the nucleus

International Nuclear Information System (INIS)

Perring, J.K.; Skyrme, T.H.R.

1994-01-01

It is shown that it is possible to write down α-particle wave functions for the ground states of 8 Be, 12 C and 16 O, which become, when antisymmetrized, identical with shell-model wave functions. The α-particle functions are used to obtain potentials which can then be used to derive wave functions and energies of excited states. Most of the low-lying states of 16 O are obtained in this way, qualitative agreement with experiment being found. The shell structure of the 0 + level at 6·06 MeV is analyzed, and is found to consist largely of single-particle excitations. The lifetime for pair-production is calculated, and found to be comparable with the experimental value. The validity of the method is discussed, and comparison made with shell-model calculations. (author). 5 refs, 1 tab

Excitation energies and properties of open-shell singlet molecules applications to a new class of molecules for nonlinear optics and singlet fission

CERN Document Server

Nakano, Masayoshi

2014-01-01

This brief investigates the diradical character, which is one of the ground-state chemical indices for 'bond weakness' or 'electron correlation' and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the th

Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2011-11-21

The recently proposed spin-adapted time-dependent density functional theory (S-TD-DFT) [Z. Li and W. Liu, J. Chem. Phys. 133, 064106 (2010)] resolves the spin-contamination problem in describing singly excited states of high spin open-shell systems. It is an extension of the standard restricted open-shell Kohn-Sham-based TD-DFT which can only access those excited states due to singlet-coupled single excitations. It is also far superior over the unrestricted Kohn-Sham-based TD-DFT (U-TD-DFT) which suffers from severe spin contamination for those excited states due to triplet-coupled single excitations. Nonetheless, the accuracy of S-TD-DFT for high spin open-shell systems is still inferior to TD-DFT for well-behaved closed-shell systems. The reason can be traced back to the violation of the spin degeneracy conditions (SDC) by approximate exchange-correlation (XC) functionals. Noticing that spin-adapted random phase approximation (S-RPA) can indeed maintain the SDC by virtue of the Wigner-Eckart theorem, a hybrid ansatz combining the good of S-TD-DFT and S-RPA can immediately be envisaged. The resulting formalism, dubbed as X-TD-DFT, is free of spin contamination and can also be viewed as a S-RPA correction to the XC kernel of U-TD-DFT. Compared with S-TD-DFT, X-TD-DFT leads to much improved results for the low-lying excited states of, e.g., N(2)(+), yet with much reduced computational cost. Therefore, X-TD-DFT can be recommended for routine calculations of excited states of high spin open-shell systems.

Neutron-proton isovector pairing effect on the nuclear moment of inertia

International Nuclear Information System (INIS)

Mokhtari, D.; Ami, I.; Fellah, M.; Allal, N.H.

2008-01-01

The neutron-proton (n-p) isovector pairing effect on the nuclear moment of inertia has been studied within the framework of the BCS approximation. An analytical expression of the moment of inertia, that explicitly depends upon the n-p pairing, has been established using the Inglis cranking model. The model was first tested numerically for nuclei such as N = Z and whose experimental values of the moment of inertia are known (i.e. such as 16 ≤ Z ≤ 40). It has been shown that the n-p pairing effect is non-negligible and clearly improves the theoretical predictions when compared to those of the pairing between like particles. Secondly, predictions have been established for even-even proton-rich rare-earth nuclei. It has been shown that the n-p pairing effect is non-negligible when N = Z and rapidly decreases with increasing values of (N-Z). (author)

Simultaneous electron capture and excitation in ion-atom collisions

International Nuclear Information System (INIS)

Tanis, J.A.; Bernstein, E.M.; Graham, W.G.; Clark, M.; Shafroth, S.M.; Johnson, B.M.; Jones, K.; Meron, M.

1982-01-01

A review of recent efforts to observe simultaneous electron capture-and-K-shell excitation in ion-atom collisions is presented. This process which has been referred to as resonant-transfer-and-excitation (RTE), is qualitatively analogous to dielectronic recombination (inverse Auger transition) in free-electron-ion collisions, and, hence, is expected to be resonant. Experimentally, events having the correct signature for simultaneous capture-and-excitation are isolated by detecting projectile K x rays in coincidence with ions which capture a single electron. In a recent experiment involving 70-160 MeV S 13+ ions incident on Ar, a maximum was observed in the yield of projectile K x rays associated with electron capture. This maximum is attributed to simultaneous capture - and excitation. The position (120 MeV) and width (60 MeV) of the observed maximum are in good agreement with theoretical calculations. The data indicate that RTE is an important mechanism for inner-shell vacancy production in the energy range studied

High performance of PbSe/PbS core/shell quantum dot heterojunction solar cells: short circuit current enhancement without the loss of open circuit voltage by shell thickness control.

Science.gov (United States)

Choi, Hyekyoung; Song, Jung Hoon; Jang, Jihoon; Mai, Xuan Dung; Kim, Sungwoo; Jeong, Sohee

2015-11-07

We fabricated heterojunction solar cells with PbSe/PbS core shell quantum dots and studied the precisely controlled PbS shell thickness dependency in terms of optical properties, electronic structure, and solar cell performances. When the PbS shell thickness increases, the short circuit current density (JSC) increases from 6.4 to 11.8 mA cm(-2) and the fill factor (FF) enhances from 30 to 49% while the open circuit voltage (VOC) remains unchanged at 0.46 V even with the decreased effective band gap. We found that the Fermi level and the valence band maximum level remain unchanged in both the PbSe core and PbSe/PbS core/shell with a less than 1 nm thick PbS shell as probed via ultraviolet photoelectron spectroscopy (UPS). The PbS shell reduces their surface trap density as confirmed by relative quantum yield measurements. Consequently, PbS shell formation on the PbSe core mitigates the trade-off relationship between the open circuit voltage and the short circuit current density. Finally, under the optimized conditions, the PbSe core with a 0.9 nm thick shell yielded a power conversion efficiency of 6.5% under AM 1.5.

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.

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.

Structure function of off-mass-shell pions and the calculation of the Sullivan process

International Nuclear Information System (INIS)

Shakin, C.M.; Sun, W.

1994-01-01

We construct a model for the pion (valence) structure function that fits the experimental data obtained in the study of the Drell-Yan process. The model may also be used to calculate the structure function of off-mass-shell pions. We apply our model in the study of deep-inelastic scattering from off-mass-shell pions found in the nucleon and are thus able to resolve a problem encountered in the standard analysis of such processes. The usual analysis is made using the structure function of on-mass-shell pions and requires the use of a soft πNN form factor that is inconsistent with standard nuclear physics phenomenology. The use of our off-mass-shell structure functions allows for a fit to the data for nonperturbative aspects of the nucleon ''sea'' with a pion-nucleon form factor of the standard form

Tunable Band Gap and Conductivity Type of ZnSe/Si Core-Shell Nanowire Heterostructures

Directory of Open Access Journals (Sweden)

Yijie Zeng

2014-10-01

Full Text Available The electronic properties of zincblende ZnSe/Si core-shell nanowires (NWs with a diameter of 1.1–2.8 nm are calculated by means of the first principle calculation. Band gaps of both ZnSe-core/Si-shell and Si-core/ZnSe-shell NWs are much smaller than those of pure ZnSe or Si NWs. Band alignment analysis reveals that the small band gaps of ZnSe/Si core-shell NWs are caused by the interface state. Fixing the ZnSe core size and enlarging the Si shell would turn the NWs from intrinsic to p-type, then to metallic. However, Fixing the Si core and enlarging the ZnSe shell would not change the band gap significantly. The partial charge distribution diagram shows that the conduction band maximum (CBM is confined in Si, while the valence band maximum (VBM is mainly distributed around the interface. Our findings also show that the band gap and conductivity type of ZnSe/Si core-shell NWs can be tuned by the concentration and diameter of the core-shell material, respectively.

Investigations of collective and single-particle aspects of excitation in 1fsub(7/2) shell nuclei

International Nuclear Information System (INIS)

Styczen, J.

1976-01-01

Experimental data are presented which were obtained in spectroscopic studies on 1fsub(7/2) shell nuclei in the following reactions: 30 Si( 16 0,pn) 44 Sc, 44 Ca(p,n) 44 Sc, 42 Ca(α,p) 45 Sc, 42 Ca(α,n) 45 Sc, 45 Sc(α,pn) 47 Ti, 46 Ti(α,p) 49 V, 47 Ti(α,pn) 49 V, and 49 Ti(p,n) 49 V. Experimental reduced transition probabilities B(M1) and B(E2) have been systematically compared for inband transitions of Ksup(π)=3/2 + bands in sup(43,45,47)Sc, 45 Ti and sup(47,49)V nuclei. In the framework of the pure rotational model, intrinsic quadrupole moments |Qsub(o)| and |gsub(K)-gsub(R)| ratios have been derived. Band mixing calculations in a strong coupling model treating more correctly the j 2 term in the hamiltonian and hole excitations, have been indertaken on properties of negativeparity states in the cross-conjugate nuclei 47 Ti- 49 V and V 47 - 49 Dr. There is an overall good agreement between the experimental data and the theoretical predictions. The strong coupling model has been also used to study possible regions of stable deformation for the positive parity states of the odd nuclei in the 1fsub(7/2) shell. Band mixing calculations performed for these states have shown that the experimental data are well reproduced in the calculations with a deformation parameter corresponding to a minimum of the static potential energy. (author)

Study of atomic excitations in sputtering with the use of composite targets

International Nuclear Information System (INIS)

Kierkegaard, K.; Ludvigsen, S.; Petterson, B.; Veje, E.

1985-01-01

Some Li- and Na-compounds have been bombarded with 80 keV Ar + ions, and excitation of sputtered particles has been studied with optical spectrometry. Very strong excitation of Li I and Na I was observed, but essentially no excitation of electronegative elements. For levels in Li I and also in Na I with n 8, the relative level populations fall noticeably above the extrapolation of such power law behaviors. This is discussed and tentatively interpreted in terms of two-step processes. (i) The projectile excites a target electron from the valence band to the conduction band. (ii) Such an excitation is transferred resonantly to the sputtered atom on its way out. (orig.)

Investigation of thermal quenching and abnormal thermal quenching in mixed valence Eu co-doped LaAlO{sub 3} phosphor

Energy Technology Data Exchange (ETDEWEB)

Chen, Jingjing [Tianjin Key Laboratory for Photoelectric Materials and Devices, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384 (China); Zhao, Yang [China academy of civil aviation science and technology, Beijing 100028 (China); Mao, Zhiyong, E-mail: mzhy1984@163.com [Tianjin Key Laboratory for Photoelectric Materials and Devices, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384 (China); Wang, Dajian [Tianjin Key Laboratory for Photoelectric Materials and Devices, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384 (China); Bie, Lijian, E-mail: ljbie@tjut.edu.cn [Tianjin Key Laboratory for Photoelectric Materials and Devices, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384 (China)

2017-06-15

Temperature dependent luminescence of mixed valence Eu co-doped LaAlO{sub 3} phosphors are deeply investigated in this work. Different temperature properties of Eu{sup 2+} and Eu{sup 3+} luminescence are observed as the phosphor excited by different incident light. Eu{sup 3+} luminescence shows normal thermal quenching when excited at 320 nm and abnormal thermal quenching as the excitation light changed into 365 nm, while Eu{sup 2+} luminescence exhibits a normal thermal quenching independent on the incident excitation lights. The origin of these novel normal/abnormal thermal quenching phenomena are analyzed and discussed by the excitation-emission processes in terms of the configuration coordinate model. The presented important experimental and analysis results give insights into the temperature properties of phosphors.

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme.

Science.gov (United States)

Li, Shaohong L; Truhlar, Donald G

2015-07-14

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations and atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.

Approximate inclusion of triple excitations in combined coupled cluster/molecular mechanics: Calculations of electronic excitation energies in solution for acrolein, water, formamide, and n-methylacetamide

DEFF Research Database (Denmark)

Sneskov, Kristian; Gras, Eduard Matito; Kongsted, Jacob

2010-01-01

as being applicable for averaging over many solvent configurations derived from, for example, molecular simulations. We test the proposed model using as a benchmark the two lowest-lying valence singlet excitations (n → π* and π → π*) of acrolein, formamide, and N-methylacetamide in aqueous solution as well...

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

Science.gov (United States)

Kalcher, Josef; Sax, Alexander F.

2000-08-01

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

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

Proceedings of a symposium on the occasion of the 40th anniversary of the nuclear shell model

International Nuclear Information System (INIS)

Lee, T.S.H.; Wiringa, R.B.

1990-03-01

This report contains papers on the following topics: excitation of 1p-1h stretched states with the (p,n) reaction as a test of shell-model calculations; on Z=64 shell closure and some high spin states of 149 Gd and 159 Ho; saturating interactions in 4 He with density dependence; are short-range correlations visible in very large-basis shell-model calculations?; recent and future applications of the shell model in the continuum; shell model truncation schemes for rotational nuclei; the particle-hole interaction and high-spin states near A-16; magnetic moment of doubly closed shell +1 nucleon nucleus 41 Sc(I π =7/2 - ); the new magic nucleus 96 Zr; comparing several boson mappings with the shell model; high spin band structures in 165 Lu; optical potential with two-nucleon correlations; generalized valley approximation applied to a schematic model of the monopole excitation; pair approximation in the nuclear shell model; and many-particle, many-hole deformed states

Structure of neutron-rich nuclei around the N = 50 shell-gap closure

Science.gov (United States)

Faul, T.; Duchêne, G.; Thomas, J.-C.; Nowacki, F.; Huyse, M.; Van Duppen, P.

2010-04-01

The structure of neutron-rich nuclei in the vicinity of 78Ni have been investigated via the β-decay of 71,73,75Cu isotopes (ISOLDE, CERN). Experimental results have been compared with shell-model calculations performed with the ANTOINE code using a large (2p3/21f5/22p1/21g9/2) valence space and a 56/28Ni28 core.

Observation and empirical shell-model study of new yrast excited states in the nucleus sup 1 sup 4 sup 2 Ce

CERN Document Server

Liu Zhong; Guo Ying Xiang; Zhou Xiao Hong; Lei Xiang Guo; LiuMinLiang; Luo Wan Ju; He Jian Jun; Zheng Yong; Pan Qiang Yan; Gan Zai Guo; Luo Yi Xiao; Hayakawa, T; Oshima, M; Toh, Y; Shizima, T; Hatsukawa, Y; Osa, A; Ishii, T; Sugawara, M

2002-01-01

Excited states of sup 1 sup 4 sup 2 Ce, populated in deep inelastic reactions of sup 8 sup 2 Se projectiles bombarding sup 1 sup 3 sup 9 La target, have been studied to medium spins using in-beam gamma spectroscopy techniques. Three new levels have been identified at 2625, 2995 and 3834 keV, and assigned as 8 sup + , 9 sup ( sup - sup ) and 11 sup ( sup - sup ) , respectively, based on the analysis of the properties of gamma transitions. These new yrast states follow well the level systematics of N 84 isotones. Their structures have been discussed with the help of empirical shell-model calculations

Numerical simulations of convectively excited gravity waves

International Nuclear Information System (INIS)

Glatzmaier, G.A.

1983-01-01

Magneto-convection and gravity waves are numerically simulated with a nonlinear, three-dimensional, time-dependent model of a stratified, rotating, spherical fluid shell heated from below. A Solar-like reference state is specified while global velocity, magnetic field, and thermodynamic perturbations are computed from the anelastic magnetohydrodynamic equations. Convective overshooting from the upper (superadiabatic) part of the shell excites gravity waves in the lower (subadiabatic) part. Due to differential rotation and Coriolis forces, convective cell patterns propagate eastward with a latitudinally dependent phase velocity. The structure of the excited wave motions in the stable region is more time-dependent than that of the convective motions above. The magnetic field tends to be concentrated over giant-cell downdrafts in the convective zone but is affected very little by the wave motion in the stable region

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

Resonant inelastic x-ray scattering and photoemission measurement of O2: Direct evidence for dependence of Rydberg-valence mixing on vibrational states in O 1s → Rydberg states

Science.gov (United States)

Gejo, T.; Oura, M.; Tokushima, T.; Horikawa, Y.; Arai, H.; Shin, S.; Kimberg, V.; Kosugi, N.

2017-07-01

High-resolution resonant inelastic x-ray scattering (RIXS) and low-energy photoemission spectra of oxygen molecules have been measured for investigating the electronic structure of Rydberg states in the O 1s → σ* energy region. The electronic characteristics of each Rydberg state have been successfully observed, and new assignments are made for several states. The RIXS spectra clearly show that vibrational excitation is very sensitive to the electronic characteristics because of Rydberg-valence mixing and vibronic coupling in O2. This observation constitutes direct experimental evidence that the Rydberg-valence mixing characteristic depends on the vibrational excitation near the avoided crossing of potential surfaces. We also measured the photoemission spectra of metastable oxygen atoms (O*) from O2 excited to 1s → Rydberg states. The broadening of the 4p Rydberg states of O* has been found with isotropic behavior, implying that excited oxygen molecules undergo dissociation with a lifetime of the order of 10 fs in 1s → Rydberg states.

Diradical character dependences of the first and second hyperpolarizabilities of asymmetric open-shell singlet systems.

Science.gov (United States)

Nakano, Masayoshi; Champagne, Benoît

2013-06-28

The static first and second hyperpolarizabilities (referred to as β and γ, respectively) of asymmetric open-shell singlet systems have been investigated using the asymmetric two-site diradical model within the valence configuration interaction level of theory in order to reveal the effect of the asymmetric electron distribution on the diradical character and subsequently on β and γ. It is found that the increase of the asymmetric electron distribution causes remarkable changes in the amplitude and the sign of β and γ, and that their variations are intensified with the increase of the diradical character. These results demonstrate that the asymmetric open-shell singlet systems with intermediate diradical characters can exhibit further enhancements of β and γ as compared to conventional asymmetric closed-shell systems and also to symmetric open-shell singlet systems with intermediate diradical characters.

Study of nuclear isovector spin responses from polarization transfer in (p,n) reactions at intermediate energies

International Nuclear Information System (INIS)

Wakasa, Tomotsugu

1997-01-01

We have measured a complete set of polarization transfer observables has been measured for quasi-free (p vector, n vector) reactions on 2 H, 6 Li, 12 C, 40 Ca, and 208 Pb at a bombarding energy of 346MeV and a laboratory scattering angle of 22deg (q=1.7 fm -1 ). The polarization transfer observables for all five targets are remarkably similar. These polarization observables yield separated spin-longitudinal (σ·q) and spin-transverse (σxq) nuclear responses. These results are compared to the spin-transverse responses measured in deep-inelastic electron scattering as well as to nuclear responses based on the random phase approximation. Such a comparison reveals an enhancement in the (p vector, n vector) spin-transverse channel, which masks the effect of pionic correlations in the response ratio. Second, the double differential cross sections at θ lab between 0deg and 12.3deg and the polarization transfer D NN at 0deg for the 90 Zr(p,n) reaction are measured at a bombarding energy of 295MeV. The Gamow-Teller(GT) strength B(GT) in the continuum deduced from the L=0 cross section is compared both with the perturbative calculation by Bertsch and Hamamoto and with the second-order random phase approximation calculation by Drozdz et al. The sum of B(GT) values up to 50MeV excitation becomes S β- =28.0±1.6 after subtracting the contribution of the isovector spin-monopole strength. This S β- value of 28.0±1.6 corresponds to about (93±5)% of the minimum value of the sum-rule 3(N-Z)=30. Last, first measurements of D NN (0deg) for (p vector, n vector) reactions at 295MeV yield large negative values up to 50MeV excitation for the 6 Li, 11 B, 12 C, 13 C(p vector, n vector) reactions. DWIA calculations using the Franey and Love (FL) 270MeV interaction reproduce differential cross sections and D NN (0deg) values, while the FL 325MeV interaction yield D NN (0deg) values less negative than the experimental values. (J.P.N.)

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

Forced Vibration Analysis for a FGPM Cylindrical Shell

Directory of Open Access Journals (Sweden)

Hong-Liang Dai

2013-01-01

Full Text Available This article presents an analytical study for forced vibration of a cylindrical shell which is composed of a functionally graded piezoelectric material (FGPM. The cylindrical shell is assumed to have two-constituent material distributions through the thickness of the structure, and material properties of the cylindrical shell are assumed to vary according to a power-law distribution in terms of the volume fractions for constituent materials, the exact solution for the forced vibration problem is presented. Numerical results are presented to show the effect of electric excitation, thermal load, mechanical load and volume exponent on the static and force vibration of the FGPM cylindrical shell. The goal of this investigation is to optimize the FGPM cylindrical shell in engineering, also the present solution can be used in the forced vibration analysis of cylindrical smart elements.

Wave Packet Simulation of Nonadiabatic Dynamics in Highly Excited 1,3-Dibromopropane

DEFF Research Database (Denmark)

Brogaard, Rasmus Y.; Møller, Klaus Braagaard; Sølling, Theis Ivan

2008-01-01

]. In the experiment. DBP is excited to a Rydberg state 8 eV above the ground state. The interpretation of the results is that a torsional motion of the bromomethylene groups with a vibrational period of 680 is is activated upon excitation. The Rydberg state decays to a valence state, causing a dissociation of one...... of the carbon bromine bonds oil a time scale of 2.5 ps. Building the theoretical framework for the wave packet propagation around this model of the reaction dynamics, the Simulations reproduce, to a good extent, the time scales observed in the experiment. Furthermore. the Simulations provide insight into how...... the torsion motion influences the bond breakage, and C we can conclude that the mechanism that delays the dissociation is solely the electronic transition from the Rydberg state to the valence state and does not involve, for example, intramolecular vibrational energy redistribution (IVR)....

Optical nonlinearities of colloidal InP@ZnS core-shell quantum dots probed by Z-scan and two-photon excited emission

International Nuclear Information System (INIS)

Wawrzynczyk, Dominika; Szeremeta, Janusz; Samoc, Marek; Nyk, Marcin

2015-01-01

Spectrally resolved nonlinear optical properties of colloidal InP@ZnS core-shell quantum dots of various sizes were investigated with the Z-scan technique and two-photon fluorescence excitation method using a femtosecond laser system tunable in the range from 750 nm to 1600 nm. In principle, both techniques should provide comparable results and can be interchangeably used for determination of the nonlinear optical absorption parameters, finding maximal values of the cross sections and optimizing them. We have observed slight differences between the two-photon absorption cross sections measured by the two techniques and attributed them to the presence of non-radiative paths of absorption or relaxation. The most significant value of two-photon absorption cross section σ 2 for 4.3 nm size InP@ZnS quantum dot was equal to 2200 GM, while the two-photon excitation action cross section σ 2 Φ was found to be 682 GM at 880 nm. The properties of these cadmium-free colloidal quantum dots can be potentially useful for nonlinear bioimaging

Dispersion of axially symmetric waves in fluid-filled cylindrical shells

DEFF Research Database (Denmark)

Bao, X.L.; Überall, H.; Raju, P. K.

2000-01-01

Acoustic waves normally incident on an elastic cylindrical shell can cause the excitation of circumferential elastic waves on the shell. These shells may be empty and fluid immersed, or fluid filled in an ambient medium of air, or doubly fluid loaded inside and out. Circumferential waves...... on such shells have been investigated for the case of aluminum shells, and their phase-velocity dispersion curves have been obtained for double fluid loading [Bao, Raju, and Überall, J. Acoust. Soc. Am. 105, 2704 (1999)]. Similar results were obtained for empty or fluid-filled brass shells [Kumar, Acustica 27......, 317 (1972)]. We have extended the work of Kumar to the case of fluid-filled aluminum shells and steel shells imbedded in air. These cases demonstrate the existence of circumferential waves traveling in the filler fluid, exhibiting a certain simplicity of the dispersion curves of these waves...

Coulomb Excitation of the N = 50 nucleus 80Zn

International Nuclear Information System (INIS)

Van de Walle, J.; Cocolios, T. E.; Huyse, M.; Ivanov, O.; Mayet, P.; Raabe, R.; Sawicka, M.; Stefanescu, I.; Duppen, P. van; Aksouh, F.; Ames, F.; Habs, D.; Lutter, R.; Behrens, T.; Gernhauser, R.; Kroell, T.; Kruecken, R.; Bildstein, V.; Blazhev, A.; Eberth, J.

2008-01-01

Neutron rich Zinc isotopes, including the N = 50 nucleus 80 Zn, were produced and post-accelerated at the Radioactive Ion Beam (RIB) facility REX-ISOLDE (CERN). Low-energy Coulomb excitation was induced on these isotopes after post-acceleration, yielding B(E2) strengths to the first excited 2 + states. For the first time, an excited state in 80 Zn was observed and the 2 1 + state in 78 Zn was established. The measured B(E2,2 1 + →0 1 + ) values are compared to two sets of large scale shell model calculations. Both calculations reproduce the observed B(E2) systematics for the full Zinc isotopic chain. The results for N = 50 isotones indicate a good N = 50 shell closure and a strong Z = 28 proton core polarization. The new results serve as benchmarks to establish theoretical models, predicting the nuclear properties of the doubly magic nucleus 78 Ni

Excitation of the inner 4d shell of neutral iodine

Energy Technology Data Exchange (ETDEWEB)

Pettini, M; Tozzi, G P [Osservatorio Astrofisico di Arcetri, Florence (Italy); Mazzoni, M [Florence Univ. (Italy). Ist. di Astronomia

1981-03-23

The absorption spectrum of neutral atomic iodine has been photographed in the EUV region and three strong autoionized resonances have been identified. A broad absorption feature has been observed and is ascribed to a collective exitation of the 4d inner shell.

Double-electron excitation above Xe K-edge

International Nuclear Information System (INIS)

Ito, Y.; Tochio, T.; Vlaicu, A.M.; Mutaguchi, K.; OhHashi, H.; Shigeoka, N.; Nakata, Y.; Akahama, Y.; Uruga, T.; Emura, Sh.

2000-01-01

When X-rays fall on any substance, whether solid, liquid, or gaseous, a photoabsorption occurs. Photoabsorption in atoms has been generally treated as a single-electron excitation process. However, the existence of the multi-electron excitation process, where the removal of a core electron by photoabsorption causes excitation of additional electrons in the same atoms, has been known in x-ray absorption spectra for a long time. In x-ray absorption spectra, experimental investigations of the shake processes in inner-shell ionization phenomena have been performed by detecting discontinuities. The shake effect which is a consequence of rearrangement of the atomic electrons, occurs in association with inner-shell excitation and ionization phenomena in x-ray absorption. The shake process has been studied extensively in various gases, because it is usually considered that the measurement of the multi-electron excitation is only possible for monatomic gases or vapors. The x-ray absorption spectra in Kr gas were measured by Ito et al. in order to observe precisely x-ray absorption spectra and to investigate the multi-electron excitation cross sections in Kr as a function of photon energy using synchrotron radiation. However, no suitable measured K x-ray absorption spectra was available to elucidate the shake processes. In the present work, the photoabsorption cross sections in Xe have been precisely measured in order to determine the features on the shake processes resulting from multiple electron excitations as a function of photon energy. Double-electron transitions of [1s4d], [1s4p], [1s4s], and [1s3d] are first detected. (author)

Valence skipping driven superconductivity and charge Kondo effect

International Nuclear Information System (INIS)

Yanagisawa, Takashi; Hase, Izumi

2013-01-01

Highlights: •Valence skipping in metallic compounds can give rise to an unconventional superconductivity. •Several elements in the periodic table show valence skipping (or valence missing), for example, Bi forms the compounds in valence states +3 and +5. •The doping of valence skipping elements will induce superconductivity and this will lead to a possibility of high temperature superconductivity. •We consider the Wolf model with negative-U impurities, and show a phase diagram including superconducting phase. •There is a high temperature region near the boundary. -- Abstract: Valence skipping in metallic compounds can give rise to an unconventional superconductivity. Several elements in the periodic table show valence skipping (or valence missing), for example, Bi forms the compounds in valence states +3 and +5. The doping of valence skipping elements will induce superconductivity and this will lead to a possibility of high temperature superconductivity. We consider the Wolf model with negative-U impurities, and show a phase diagram including superconducting phase. The superconducting state is changed into a metallic state with a local singlet as the attractive interaction |U| increases. There is a high temperature region near the boundary

Photoionization of the valence shells of the neutral tungsten atom

Science.gov (United States)

Ballance, C. P.; McLaughlin, B. M.

2015-04-01

Results from large-scale theoretical cross section calculations for the total photoionization (PI) of the 4f, 5s, 5p and 6s orbitals of the neutral tungsten atom using the Dirac Coulomb R-matrix approximation (DARC: Dirac-atomic R-matrix codes) are presented. Comparisons are made with previous theoretical methods and prior experimental measurements. In previous experiments a time-resolved dual laser approach was employed for the photo-absorption of metal vapours and photo-absorption measurements on tungsten in a solid, using synchrotron radiation. The lowest ground state level of neutral tungsten is 5{{p}6}5{{d}4}6{{s}2}{{ }5}{{D}J}, with J = 0, and requires only a single dipole matrix for PI. To make a meaningful comparison with existing experimental measurements, we statistically average the large-scale theoretical PI cross sections from the levels associated with the ground state 5{{p}6}5{{d}4}6{{s}2}{{ }5}{{D}J} (J = 0, 1, 2, 3, 4) levels and the 5{{d}5}6{{s} 7}{{S}3} excited metastable level. As the experiments have a self-evident metastable component in their ground state measurement, averaging over the initial levels allows for a more consistent and realistic comparison to be made. In the wider context, the absence of many detailed electron-impact excitation (EIE) experiments for tungsten and its multi-charged ion stages allows current PI measurements and theory to provide a road-map for future EIE, ionization and di-electronic cross section calculations by identifying the dominant resonance structure and features across an energy range of hundreds of eV.

Radar attenuation in Europa's ice shell: Obstacles and opportunities for constraining the shell thickness and its thermal structure

Science.gov (United States)

Kalousová, Klára; Schroeder, Dustin M.; Soderlund, Krista M.

2017-03-01

Young surface and possible recent endogenic activity make Europa one of the most exciting solar system bodies and a primary target for spacecraft exploration. Future Europa missions are expected to carry ice-penetrating radar instruments designed to investigate its subsurface thermophysical structure. Several authors have addressed the radar sounders' performance at icy moons, often ignoring the complex structure of a realistic ice shell. Here we explore the variation in two-way radar attenuation for a variety of potential thermal structures of Europa's shell (determined by reference viscosity, activation energy, tidal heating, surface temperature, and shell thickness) as well as for low and high loss temperature-dependent attenuation model. We found that (i) for all investigated ice shell thicknesses (5-30 km), the radar sounder will penetrate between 15% and 100% of the total thickness, (ii) the maximum penetration depth varies laterally, with deepest penetration possible through cold downwellings, (iii) direct ocean detection might be possible for shells of up to 15 km thick if the signal travels through cold downwelling ice or the shell is conductive, (iv) even if the ice/ocean interface is not directly detected, penetration through most of the shell could constrain the deep shell structure through returns from deep non-ocean interfaces or the loss of signal itself, and (v) for all plausible ice shells, the two-way attenuation to the eutectic point is ≲30 dB which shows a robust potential for longitudinal investigation of the ice shell's shallow thermophysical structure.

Simultaneous conditioning of valence and arousal.

Science.gov (United States)

Gawronski, Bertram; Mitchell, Derek G V

2014-01-01

Evaluative conditioning (EC) refers to the change in the valence of a conditioned stimulus (CS) due to its pairing with a positive or negative unconditioned stimulus (US). To the extent that core affect can be characterised by the two dimensions of valence and arousal, EC has important implications for the origin of affective responses. However, the distinction between valence and arousal is rarely considered in research on EC or conditioned responses more generally. Measuring the subjective feelings elicited by a CS, the results from two experiments showed that (1) repeated pairings of a CS with a positive or negative US of either high or low arousal led to corresponding changes in both CS valence and CS arousal, (2) changes in CS arousal, but not changes in CS valence, were significantly related to recollective memory for CS-US pairings, (3) subsequent presentations of the CS without the US reduced the conditioned valence of the CS, with conditioned arousal being less susceptible to extinction and (4) EC effects were stronger for high arousal than low arousal USs. The results indicate that the conditioning of affective responses can occur simultaneously along two independent dimensions, supporting evidence in related areas that calls for a consideration of both valence and arousal. Implications for research on EC and the acquisition of emotional dispositions are discussed.

Monte Carlo evaluation of path integral for the nuclear shell model

International Nuclear Information System (INIS)

Lang, G.H.

1993-01-01

The authors present a path-integral formulation of the nuclear shell model using auxillary fields; the path-integral is evaluated by Monte Carlo methods. The method scales favorably with valence-nucleon number and shell-model basis: full-basis calculations are demonstrated up to the rare-earth region, which cannot be treated by other methods. Observables are calculated for the ground state and in a thermal ensemble. Dynamical correlations are obtained, from which strength functions are extracted through the Maximum Entropy method. Examples in the s-d shell, where exact diagonalization can be carried out, compared well with exact results. The open-quotes sign problemclose quotes generic to quantum Monte Carlo calculations is found to be absent in the attractive pairing-plus-multipole interactions. The formulation is general for interacting fermion systems and is well suited for parallel computation. The authors have implemented it on the Intel Touchstone Delta System, achieving better than 99% parallelization

Determination of the pairing-strength constants in the isovector plus isoscalar pairing case

Science.gov (United States)

Mokhtari, D.; Fellah, M.; Allal, N. H.

2016-05-01

A method for the determination of the pairing-strength constants, in the neutron-proton (n-p) isovector plus isoscalar pairing case, is proposed in the framework of the BCS theory. It is based on the fitting of these constants to reproduce the experimentally known pairing gap parameters as well as the root-mean-squared (r.m.s) charge radii values. The method is applied to some proton-rich even-even nuclei. The single-particle energies used are those of a deformed Woods-Saxon mean field. It is shown that the obtained value of the ratio GnpT=0/G npT=1 is of the same order as the ones, arbitrary chosen, of some previous works. The effect of the inclusion of the isoscalar n-p pairing in the r.m.s matter radii is then numerically studied for the same nuclei.

Excitations of single-beauty hadrons

Science.gov (United States)

Burch, Tommy; Hagen, Christian; Lang, Christian B.; Limmer, Markus; Schäfer, Andreas

2009-01-01

In this work we study the predominantly orbital and radial excitations of hadrons containing a single heavy quark. We present meson and baryon mass splittings and ratios of meson decay constants (e.g., fBs/fB and fBs'/fBs) resulting from quenched and dynamical two-flavor configurations. Light quarks are simulated using the chirally improved lattice Dirac operator at valence masses as light as Mπ≈350MeV. The heavy quark is approximated by a static propagator, appropriate for the b quark on our lattices (1/ã1-2GeV). We also include some preliminary calculations of the O(1/mQ) kinetic corrections to the states, showing, in the process, a viable way of applying the variational method to three-point functions involving excited states. We compare our results with recent experimental findings.

Excitations of single-beauty hadrons

International Nuclear Information System (INIS)

Burch, Tommy; Hagen, Christian; Lang, Christian B.; Limmer, Markus; Schaefer, Andreas

2009-01-01

In this work we study the predominantly orbital and radial excitations of hadrons containing a single heavy quark. We present meson and baryon mass splittings and ratios of meson decay constants (e.g., f B s /f B and f B s ' /f B s ) resulting from quenched and dynamical two-flavor configurations. Light quarks are simulated using the chirally improved lattice Dirac operator at valence masses as light as M π ≅350 MeV. The heavy quark is approximated by a static propagator, appropriate for the b quark on our lattices (1/a∼1-2 GeV). We also include some preliminary calculations of the O(1/m Q ) kinetic corrections to the states, showing, in the process, a viable way of applying the variational method to three-point functions involving excited states. We compare our results with recent experimental findings.

EXAFS analysis of the L3 edge of Ce in CeO2: effects of multielectron excitations and final-state mixed valence

International Nuclear Information System (INIS)

Fonda, E.; Andreatta, D.; Colavita, P.E.; Vlaic, G.

1999-01-01

Cerium oxide (IV) (CeO 2 ) is extensively employed in heterogeneous catalysis, particularly as a promoter of noble metal action in three-way catalysts. For this reason there is a great scientific and economical interest in the development of any possible chemical or structural analysis technique that could provide information on these systems. EXAFS spectroscopy has revealed itself as a powerful technique for structural characterization of such catalysts. Unfortunately, good quality K-edge spectra of cerium are not yet easily obtainable because of the high photon energy required (>40 keV). On the other hand, at lower energies it is easy to collect very good spectra of the L 3 edge (5.5 keV), but L 3 -edge spectra of cerium (IV) are characterized by the presence of two undesired additional phenomena that interfere with EXAFS analysis: final-state mixed-valence behaviour and intense multi-electron excitations. Here, a comparative analysis of the K, L 3 , L 2 and L 1 edges of Ce in CeO 2 has been made and a procedure for obtaining structural parameters from L 3 -edge EXAFS, even in the presence of these features, has been developed. This procedure could allow further studies of catalytic compounds containing tetravalent cerium surrounded by oxygen ligands. (au)

Fourth-order perturbative extension of the single-double excitation coupled-cluster method

International Nuclear Information System (INIS)

Derevianko, Andrei; Emmons, Erik D.

2002-01-01

Fourth-order many-body corrections to matrix elements for atoms with one valence electron are derived. The obtained diagrams are classified using coupled-cluster-inspired separation into contributions from n-particle excitations from the lowest-order wave function. The complete set of fourth-order diagrams involves only connected single, double, and triple excitations and disconnected quadruple excitations. Approximately half of the fourth-order diagrams are not accounted for by the popular coupled-cluster method truncated at single and double excitations (CCSD). Explicit formulas are tabulated for the entire set of fourth-order diagrams missed by the CCSD method and its linearized version, i.e., contributions from connected triple and disconnected quadruple excitations. A partial summation scheme of the derived fourth-order contributions to all orders of perturbation theory is proposed

Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

International Nuclear Information System (INIS)

Ehara, Masahiro; Piecuch, Piotr; Lutz, Jesse J.; Gour, Jeffrey R.

2012-01-01

Graphical abstract: Electronically excited states of CuCl 4 2- and CuBr 4 2- are determined using the scalar relativistic symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster calculations. The results are compared with experimental spectra. Highlights: ► Electronic spectra of CuCl 4 2- and CuBr 4 2- are examined by SAC-CI and EOMCC methods. ► Relativistic SAC-CI and EOMCC results are compared with experimental spectra. ► An assignment of bands in the CuCl 4 2- and CuBr 4 2- absorption spectra is obtained. ► Relativistic effects affect excitation energies and ground-state geometries. ► The effect of relativity on the oscillator strengths is generally small. - Abstract: The valence excitation spectra of the copper tetrachloride and copper tetrabromide open-shell dianions, CuCl 4 2- and CuBr 4 2- , respectively, are investigated by a variety of symmetry-adapted-cluster configuration-interaction (SAC-CI) and equation-of-motion coupled-cluster (EOMCC) methods. The valence excited states of the CuCl 4 2- and CuBr 4 2- species that correspond to transitions from doubly occupied molecular orbitals (MOs) to a singly occupied MO (SOMO), for which experimental spectra are available, are examined with the ionized (IP) variants of the SAC-CI and EOMCC methods. The higher-energy excited states of CuCl 4 2- and CuBr 4 2- that correspond to transitions from SOMO to unoccupied MOs, which have not been characterized experimentally, are determined using the electron-attached (EA) SAC-CI and EOMCC approaches. An emphasis is placed on the scalar relativistic SAC-CI and EOMCC calculations based on the spin-free part of the second-order Douglass–Kroll–Hess Hamiltonian (DKH2) and on a comparison of the results of the IP and EA SAC-CI and EOMCC calculations with up to 2-hole-1-particle (2h-1p) and 2-particle-1-hole (2p-1h) excitations, referred to as the IP-SAC-CI SD-R and IP-EOMCCSD(2h-1p) methods in the IP case and EA-SAC-CI SD-R and EA

Coulomb excitation of the odd-odd isotopes $^{106, 108}$In

CERN Document Server

Ekstrom, A; Blazhev, A; Van de Walle, J; Weisshaar, D; Zielinska, M; Tveten, G M; Marsh, B A; Siem, S; Gorska, M; Engeland, T; Hurst, A M; Cederkall, J; Finke, F; Iwanicki, J; Hjorth-Jensen, M; Davinson, T; Eberth, J; Sletten, G; Mierzejewski, J; Reiter, P; Warr, N; Butler, P A; Fahlander, C; Stefanescu, I; Koester, U; Ivanov, O; Wenander, F; Voulot, D

2010-01-01

The low-lying states in the odd-odd and unstable isotopes In-106,In-108 have been Coulomb excited from the ground state and the first excited isomeric state at the REX-ISOLDE facility at CERN. With the additional data provided here the pi g(9/2)(-1) circle times nu d(5/2) and pi g(9/2)(-1) circle times nu g7/2 multiplets have been re-analyzed and are modified compared to previous results. The observed gamma-ray de-excitation patterns were interpreted within a shell model calculation based on a realistic effective interaction. The agreement between theory and experiment is satisfactory and the calculations reproduce the observed differences in the excitation pattern of the two isotopes. The calculations exclude a 6(+) ground state in In-106. This is in agreement with the conclusions drawn using other techniques. Furthermore, based on the experimental results, it is also concluded that the ordering of the isomeric and ground state in In-108 is inverted compared to the shell model prediction. Limits on B(E2) val...

Particle-hole excitations in N=50 nuclei

International Nuclear Information System (INIS)

Johnstone, I.P.; Skouras, L.D.

1997-01-01

Energy levels in N=50 nuclei are calculated allowing single-particle excitations from the p 1/2 and g 9/2 shells into the d 5/2 , s 1/2 , d 3/2 , and g 7/2 shells. Important parts of the interaction are determined by least-squares fits to known levels. Agreement with experiment is very good. The high-spin particle-hole states appear to be mainly yrast levels in mass 93 and higher, but are not in 90 Zr. copyright 1997 The American Physical Society

Deformation and mixing of co-existing shapes in the neutron-deficient polonium isotopes

CERN Document Server

AUTHOR|(CDS)2078559; Huyse, Mark

The neutron-deficient polonium isotopes, with only 2 protons outside the Z = 82 shell closure, are situated in an interesting region of the nuclear chart. In the neighboring lead (Z = 82) and mercury (Z = 80) isotopes, experimental and theoretical efforts identified evidence of shape coexistence. Shape coexistence is the remarkable phenomenon in which two or more distinct types of deformation occur in states of the same angular momentum and similar excitation energy in a nucleus. The neutron-deficient polonium isotopes have also been studied intensively, experimentally as well as theoretically. The closed neutron-shell nucleus 210Po (N = 126) manifests itself as a two-particle nucleus where most of the excited states can be explained by considering the degrees of freedom of the two valence protons outside of 208Pb. The near-constant behavior of the yrast 2+1 and 4+1 states in the isotopes with mass 200 ≤ A ≤ 208 can be explained by coupling the two valence protons to a vibrating lead core. 200Po seems to ...

Au@Ag core-shell nanocubes with finely tuned and well-controlled sizes, shell thicknesses, and optical properties.

Science.gov (United States)

Ma, Yanyun; Li, Weiyang; Cho, Eun Chul; Li, Zhiyuan; Yu, Taekyung; Zeng, Jie; Xie, Zhaoxiong; Xia, Younan

2010-11-23

This paper describes a facile method for generating Au@Ag core-shell nanocubes with edge lengths controllable in the range of 13.4-50 nm. The synthesis involved the use of single-crystal, spherical Au nanocrystals of 11 nm in size as the seeds in an aqueous system, with ascorbic acid serving as the reductant and cetyltrimethylammonium chloride (CTAC) as the capping agent. The thickness of the Ag shells could be finely tuned from 1.2 to 20 nm by varying the ratio of AgNO(3) precursor to Au seeds. We also investigated the growth mechanism by examining the effects of seeds (capped by CTAC or cetyltrimethylammonium bromide(CTAB)) and capping agent (CTAC vs CTAB) on both size and shape of the resultant core-shell nanocrystals. Our results clearly indicate that CTAC worked much better than CTAB as a capping agent in both the syntheses of Au seeds and Au@Ag core-shell nanocubes. We further studied the localized surface plasmon resonance properties of the Au@Ag nanocubes as a function of the Ag shell thickness. By comparing with the extinction spectra obtained from theoretical calculations, we derived a critical value of ca. 3 nm for the shell thickness at which the plasmon excitation of the Au cores would be completely screened by the Ag shells. Moreover, these Au@Ag core-shell nanocubes could be converted into Au-based hollow nanostructures containing the original Au seeds in the interiors through a galvanic replacement reaction.

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

International Nuclear Information System (INIS)

Clark, M.W.

1988-01-01

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

Changes in Appetitive Associative Strength Modulates Nucleus Accumbens, But Not Orbitofrontal Cortex Neuronal Ensemble Excitability.

Science.gov (United States)

Ziminski, Joseph J; Hessler, Sabine; Margetts-Smith, Gabriella; Sieburg, Meike C; Crombag, Hans S; Koya, Eisuke

2017-03-22

Cues that predict the availability of food rewards influence motivational states and elicit food-seeking behaviors. If a cue no longer predicts food availability, then animals may adapt accordingly by inhibiting food-seeking responses. Sparsely activated sets of neurons, coined "neuronal ensembles," have been shown to encode the strength of reward-cue associations. Although alterations in intrinsic excitability have been shown to underlie many learning and memory processes, little is known about these properties specifically on cue-activated neuronal ensembles. We examined the activation patterns of cue-activated orbitofrontal cortex (OFC) and nucleus accumbens (NAc) shell ensembles using wild-type and Fos-GFP mice, which express green fluorescent protein (GFP) in activated neurons, after appetitive conditioning with sucrose and extinction learning. We also investigated the neuronal excitability of recently activated, GFP+ neurons in these brain areas using whole-cell electrophysiology in brain slices. Exposure to a sucrose cue elicited activation of neurons in both the NAc shell and OFC. In the NAc shell, but not the OFC, these activated GFP+ neurons were more excitable than surrounding GFP- neurons. After extinction, the number of neurons activated in both areas was reduced and activated ensembles in neither area exhibited altered excitability. These data suggest that learning-induced alterations in the intrinsic excitability of neuronal ensembles is regulated dynamically across different brain areas. Furthermore, we show that changes in associative strength modulate the excitability profile of activated ensembles in the NAc shell. SIGNIFICANCE STATEMENT Sparsely distributed sets of neurons called "neuronal ensembles" encode learned associations about food and cues predictive of its availability. Widespread changes in neuronal excitability have been observed in limbic brain areas after associative learning, but little is known about the excitability changes that

Evolution of L -shell photoabsorption of the molecular-ion series Si Hn + (n =1 ,2 ,3 ): Experimental and theoretical studies

Science.gov (United States)

Kennedy, E. T.; Mosnier, J.-P.; van Kampen, P.; Bizau, J.-M.; Cubaynes, D.; Guilbaud, S.; Carniato, S.; Puglisi, A.; Sisourat, N.

2018-04-01

We report on complementary laboratory and theoretical investigations of the 2 p photoexcitation cross sections for the molecular-ion series Si Hn + (n =1 ,2 ,3 ) near the L -shell threshold. The experiments used an electron cyclotron resonance (ECR) plasma molecular-ion source coupled with monochromatized synchrotron radiation in a merged-beam configuration. For all three molecular ions, the S i2 + decay channel appeared dominant, suggesting similar electronic and nuclear relaxation patterns involving resonant Auger and dissociation processes, respectively. The total yields of the S i2 + products were recorded and put on absolute cross-section scales by comparison with the spectrum of the S i+ parent atomic ion. Interpretation of the experimental spectra ensued from a comparison with total photoabsorption cross-sectional profiles calculated using ab initio configuration interaction theoretical methods inclusive of vibrational dynamics and contributions from inner-shell excitations in both ground and valence-excited electronic states. The spectra, while broadly similar for all three molecular ions, moved towards lower energies as the number of screening hydrogen atoms increased from one to three. They featured a wide and shallow region below ˜107 eV due to 2 p →σ* transitions to dissociative states, and intense and broadened peaks in the ˜107 -113 -eV region merging into sharp Rydberg series due to 2 p →n δ ,n π transitions converging on the LII ,III limits above ˜113 eV . This overall spectral shape is broadly replicated by theory in each case, but the level of agreement does not extend to individual resonance structures. In addition to the fundamental interest, the work should also prove useful for the understanding and modeling of astronomical and laboratory plasma sources where silicon hydride molecular species play significant roles.

Relaxation processes in optically excites metal clusters; Relaxationsprozesse in optisch angeregten Metallclustern

Energy Technology Data Exchange (ETDEWEB)

Stanzel, J.

2007-08-10

The present work is concerned with the dynamics of optically excited metal clusters in the gas phase. Small mass-selected gold and tungsten cluster anions (Au{sup -}{sub n}, n=5-8, 14, 20 and W{sup -}{sub n}, n=3-14) are studied using femtosecond time-resolved photoelectron spectroscopy. Depending on the electronic structure in the valence region as well as on the optical excitation energy fundamentally different relaxation processes are observed. In small gold cluster anions excited with 1.56 eV an isolated electronically excited state is populated. The time-dependent measurements are strongly sizedependent and open insights into photoinduced geometry changes of the nuclear framework. Oscillatory vibrational wavepacket motion in Au{sup -}{sub 5}, an extremely longlived ({tau} >90 ns) electronically excited state in Au{sup -}{sub 6} as well as photoinduced melting in Au{sup -}{sub 7} and Au{sup -}{sub 8} is monitored in real time. By increasing the OPTICAL excitation energy to 3.12 eV a completely different scenario is observed. A multitude of electronically excited states can be reached upon optical excitation and as a consequence electronic relaxation processes that take place on a time scale of 1 ps are dominating. This is shown for Au{sup -}{sub 7}, Au{sup -}{sub 14} and Au{sup -}{sub 20}. Compared to gold clusters, tungsten clusters are characterized by a significantly higher electronic density of states in the valence region. Therefore electronic relaxation processes are much more likely and take place on a significantly faster time scale. The fast electronic relaxation processes are distinguished from pure vibrational relaxation. It is shown that already in the four atomic tungsten cluster W{sup -}{sub 4} electronic relaxation processes take place on a time scale of 30 fs. In all investigated tungsten cluster anions (W{sup -}{sub n}, n=3-14) an equilibrium between electronic and vibrational system is reached within around 1 ps after optical excitation which

Valence effects on adsorption: a preliminary assessment of the effects on valence state control on sorption measurements

International Nuclear Information System (INIS)

Meyer, R.E.; Arnold, W.D.; Case, F.; Shiao, S.Y.; Palmer, D.A.

1983-01-01

Electrochemical arguments are advanced to illustrate that what is usually measured in practice is a mixed potential determined by the kinetics of the electrode processes occurring at the indicator electrode. Valence states can be altered electrochemically or by use of added chemical reagents, including redox couples which can hold the potential to relatively specific potentials. The disadvantage of added chemical reagents is that they may alter the characteristics of the sorption reactions by interaction with the sorbent. Electrochemical methods are versatile and do not add reagents, but in some caes the nuclide can adsorb on the electrode itself. A description is given of the application of the electrochemical method of valence control to determination of sorption of Np(V) on alumina. Valence state control and analysis can be used to study possible redox reactions on materials which might be used as backfill materials. A description is given of survey experiments with a number of sulfides and iron-containing materials. Valence state analysis is used on the initial solutions and leachate from acid leaches of the sorbent after the sorption experiment to help determine whether valence state change is occurring. The preliminary results indicate that on the sulfides tested, sorption occurs both with and without valence state change

Dynamic Hydrogen Production from Methanol/Water Photo-Splitting Using Core@Shell-Structured CuS@TiO2 Catalyst Wrapped by High Concentrated TiO2 Particles

Directory of Open Access Journals (Sweden)

Younghwan Im

2013-01-01

Full Text Available This study focused on the dynamic hydrogen production ability of a core@shell-structured CuS@TiO2 photocatalyst coated with a high concentration of TiO2 particles. The rectangular-shaped CuS particles, 100 nm in length and 60 nm in width, were surrounded by a high concentration of anatase TiO2 particles (>4~5 mol. The synthesized core@shell-structured CuS@TiO2 particles absorbed a long wavelength (a short band gap above 700 nm compared to that pure TiO2, which at approximately 300 nm, leading to easier electronic transitions, even at low energy. Hydrogen evolution from methanol/water photo-splitting over the core@shell-structured CuS@TiO2 photocatalyst increased approximately 10-fold compared to that over pure CuS. In particular, 1.9 mmol of hydrogen gas was produced after 10 hours when 0.5 g of 1CuS@4TiO2 was used at pH = 7. This level of production was increased to more than 4-fold at higher pH. Cyclic voltammetry and UV-visible absorption spectroscopy confirmed that the CuS in CuS@TiO2 strongly withdraws the excited electrons from the valence band in TiO2 because of the higher reduction potential than TiO2, resulting in a slower recombination rate between the electrons and holes and higher photoactivity.

Exact ground-state correlation functions of one-dimenisonal strongly correlated electron models with resonating-valence-bond ground state

International Nuclear Information System (INIS)

Yamanaka, Masanori; Honjo, Shinsuke; Kohmoto, Mahito

1996-01-01

We investigate one-dimensional strongly correlated electron models which have the resonating-valence-bond state as the exact ground state. The correlation functions are evaluated exactly using the transfer matrix method for the geometric representations of the valence-bond states. In this method, we only treat matrices with small dimensions. This enables us to give analytical results. It is shown that the correlation functions decay exponentially with distance. The result suggests that there is a finite excitation gap, and that the ground state is insulating. Since the corresponding noninteracting systems may be insulating or metallic, we can say that the gap originates from strong correlation. The persistent currents of the present models are also investigated and found to be exactly vanishing

Neutron emission probability at high excitation and isospin

International Nuclear Information System (INIS)

Aggarwal, Mamta

2005-01-01

One-neutron and two-neutron emission probability at different excitations and varying isospin have been studied. Several degrees of freedom like deformation, rotations, temperature, isospin fluctuations and shell structure are incorporated via statistical theory of hot rotating nuclei

Seismic response analysis of column supported natural draught cooling tower shells

International Nuclear Information System (INIS)

Ramanjaneyulu, K.; Gopalakrishnan, S.; Appa Rao, T.V.S.R.

2003-01-01

Natural draught cooling towers (NDCTs) belong to the category of large civil engineering structures and are commonly used in nuclear or thermal power plants. Detailed dynamic analysis has to be carried out for design of cooling towers subjected to seismic excitation, considering the flexibility of the columns. Finite ring element formulations for dynamic analysis of cooling tower shell subjected to seismic excitation are presented in this paper. The geometry of a typical tall natural draught cooling tower is considered in this study for carrying out investigations. Transient response of the hyperbolic cooling tower shell subjected to earthquake loading has been analysed by direct time integration using acceleration-time history of North-South component of El-Centro earthquake. Parametric studies have also been carried out to study the influence of flexibility of column supports and damping on the seismic response of cooling tower shell and the results are discussed in the paper. (author)

Inner shell ionization by incident nuclei

International Nuclear Information System (INIS)

Hansteen, J.M.

1974-10-01

The atomic Coulomb excitation process induced by impinging heavy charged particles such as protons, deuterons, α-particles and complex heavy ions is reviewed. Recent experimental and theoretical efforts have led toimproved understanding of the atomic Coulomb excitation as well as to discovery of new types of ionization mechanisms. The following models are mentioned: the Plane Wave Born Approximation (PWBA); theeeeeeeeeeeee modified PWBA model; the Binary Encounter Approximation (BEA); the Semi-Classical Approximation (SCA); the Perturbed-Stationary-State model (PSS). The structure of the SCA model is more thoroughly treated. Experimental results on single Coulomb ionizations of the K-, L-, and M-shells, and of the connected sub-shells by protons are compared with predictions. Most calculations are based on straight line projectile paths and non-relativistic hydrogen-like target electron wave functions. The BEA model and the SCA model seem to work reasonably well for multiple Coulomb ionizations by stripped light ions. Background effects in ion-atom collisions are commented upon. Future aspects of atomic Coulomb excitation by incident nuclei and ions are discussed. The interplay between Coulomb induced processes and united atom phenomena is especially mentioned. The simple ionization models have yielded valuable insights but it is suggested that this branch of collision physics has reached a turning point where new and more advanced and unifying models are needed. (JIW)

Stable tetrabenzo-Chichibabin's hydrocarbons: Tunable ground state and unusual transition between their closed-shell and open-shell resonance forms

KAUST Repository

Zeng, Zebing

2012-09-05

Stable open-shell polycyclic aromatic hydrocarbons (PAHs) are of fundamental interest due to their unique electronic, optical, and magnetic properties and promising applications in materials sciences. Chichibabin\\'s hydrocarbon as a classical open-shell PAH has been investigated for a long time. However, most of the studies are complicated by their inherent high reactivity. In this work, two new stable benzannulated Chichibabin\\'s hydrocarbons 1-CS and 2-OS were prepared, and their electronic structure and geometry in the ground state were studied by various experiments (steady-state and transient absorption spectra, NMR, electron spin resonance (ESR), superconducting quantum interference device (SQUID), FT Raman, X-ray crystallographic etc.) and density function theory (DFT) calculations. 1-CS and 2-OS exhibited tunable ground states, with a closed-shell quinoidal structure for 1-CS and an open-shell biradical form for 2-OS. Their corresponding excited-state forms 1-OS and 2-CS were also chemically approached and showed different decay processes. The biradical 1-OS displayed an unusually slow decay to the ground state (1-CS) due to a large energy barrier (95 ± 2.5 kJ/mol) arising from severe steric hindrance during the transition from an orthogonal biradical form to a butterfly-like quinoidal form. The quick transition from the quinoidal 2-CS (excited state) to the orthogonal biradicaloid 2-OS (ground state) happened during the attempted synthesis of 2-CS. Compounds 1-CS and 2-OS can be oxidized into stable dications by FeCl 3 and/or concentrated H 2SO 4. The open-shell 2-OS also exhibited a large two-photon absorption (TPA) cross section (760 GM at 1200 nm). © 2012 American Chemical Society.

Giant halos in medium nuclei within modified relativistic mean field (MRMF) model

Energy Technology Data Exchange (ETDEWEB)

Nugraha, A. M., E-mail: alpi.mahisha@gmail.com; Sulaksono, A. [Departemen Fisika, FMIPA, Universitas Indonesia, Kampus UI Depok (Indonesia); Sumaryada, T. [Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia)

2016-04-19

The large number of neutrons in a region beyond a closed shell core indicates the presence of giant halos in nuclei. In this work, by using the Rotival method within a modified relativistic mean field (MRMF) model, we predict theoretically the formation of giant halos in Cr and Zr isotopes. The MRMF model is a modification of standard RMF model augmented with isoscalar and isovector tensor terms, isovector-isoscalar vector cross coupling term and electromagnetic exchange term for Coulomb interaction in local density approximation (LDA).

Spectroscopy of high-spin states of 206Po

International Nuclear Information System (INIS)

Baxter, A.M.; Byrne, A.P.; Dracoulis, G.D.; Bark, R.A.; Riess, F.; Stuchbery, A.E.; Kruse, M.C.; Poletti, A.R.

1990-05-01

The yrast and near-yrast energy levels of 206 Po have been investigated to over 9 MeV excitation and up to spins with J=24. The measure-ments consisted of γ-γ coincidence data, internal-conversion-electron spectra, time spectra of γ-rays relative to a pulsed beam, excitation functions and γ-ray angular distributions. Two new isomers, with lifetime in the one-nonasecond range,were found. The observed structure is compared with the predictions of empirical shell-model calculations in which 206 Po is regarded as a 208 Pb core with two valence protons and four valence neutron holes. The agreement is generaly satisfactory for the observed odd-parity levels and for even parity levels with J > 12; those with J = 6 to 12 are better accounted for by weak coupling of two valence protons to a 204 Pb core in its 0 + 1, 2 + 1 and 4 + 1 states. 33 refs., 7 tabs., 12 figs

Symplectic no-core shell-model approach to intermediate-mass nuclei

Science.gov (United States)

Tobin, G. K.; Ferriss, M. C.; Launey, K. D.; Dytrych, T.; Draayer, J. P.; Dreyfuss, A. C.; Bahri, C.

2014-03-01

We present a microscopic description of nuclei in the intermediate-mass region, including the proximity to the proton drip line, based on a no-core shell model with a schematic many-nucleon long-range interaction with no parameter adjustments. The outcome confirms the essential role played by the symplectic symmetry to inform the interaction and the winnowing of shell-model spaces. We show that it is imperative that model spaces be expanded well beyond the current limits up through 15 major shells to accommodate particle excitations, which appear critical to highly deformed spatial structures and the convergence of associated observables.

The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs.

Science.gov (United States)

Raeber, Alexandra E; Wong, Bryan M

2015-05-12

We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of nonempirically tuned range-separated functionals, for predicting a diverse set of electronic excitations in DNA nucleobase monomers and dimers. This large and extensive set of excitations comprises a total of 50 different transitions (for each tested DFT functional) that includes several n → π and π → π* valence excitations, long-range charge-transfer excitations, and extended Rydberg transitions (complete with benchmark calculations from high-level EOM-CCSD(T) methods). The presence of localized valence excitations as well as extreme long-range charge-transfer excitations in these systems poses a serious challenge for TD-DFT methods that allows us to assess the importance of both short- and long-range exchange contributions for simultaneously predicting all of these various transitions. In particular, we find that functionals that do not have both short- and full long-range exchange components are unable to predict the different types of nucleobase excitations with the same accuracy. Most importantly, the current study highlights the importance of both short-range exchange and a nonempirically tuned contribution of long-range exchange for accurately predicting the diverse excitations in these challenging nucleobase systems.

Human Amygdala Represents the Complete Spectrum of Subjective Valence

Science.gov (United States)

Jin, Jingwen; Zelano, Christina; Gottfried, Jay A.

2015-01-01

Although the amygdala is a major locus for hedonic processing, how it encodes valence information is poorly understood. Given the hedonic potency of odor stimuli and the amygdala's anatomical proximity to the peripheral olfactory system, we combined high-resolution fMRI with pattern-based multivariate techniques to examine how valence information is encoded in the amygdala. Ten human subjects underwent fMRI scanning while smelling 9 odorants that systematically varied in perceived valence. Representational similarity analyses showed that amygdala codes the entire dimension of valence, ranging from pleasantness to unpleasantness. This unidimensional representation significantly correlated with self-reported valence ratings but not with intensity ratings. Furthermore, within-trial valence representations evolved over time, prioritizing earlier differentiation of unpleasant stimuli. Together, these findings underscore the idea that both spatial and temporal features uniquely encode pleasant and unpleasant odor valence in the amygdala. The availability of a unidimensional valence code in the amygdala, distributed in both space and time, would create greater flexibility in determining the pleasantness or unpleasantness of stimuli, providing a mechanism by which expectation, context, attention, and learning could influence affective boundaries for guiding behavior. SIGNIFICANCE STATEMENT Our findings elucidate the mechanisms of affective processing in the amygdala by demonstrating that this brain region represents the entire valence dimension from pleasant to unpleasant. An important implication of this unidimensional valence code is that pleasant and unpleasant valence cannot coexist in the amygdale because overlap of fMRI ensemble patterns for these two valence extremes obscures their unique content. This functional architecture, whereby subjective valence maps onto a pattern continuum between pleasant and unpleasant poles, offers a robust mechanism by which context

On the shell-model-connection of the cluster model

International Nuclear Information System (INIS)

Cseh, J.

2000-01-01

Complete text of publication follows. The interrelation of basic nuclear structure models is a longstanding problem. The connection between the spherical shell model and the quadrupole collective model has been studied extensively, and symmetry considerations proved to be especially useful in this respect. A collective band was interpreted in the shell model language long ago [1] as a set of states (of the valence nucleons) with a specific SU(3) symmetry. Furthermore, the energies of these rotational states are obtained to a good approximation as eigenvalues of an SU(3) dynamically symmetric shell model Hamiltonian. On the other hand the relation of the shell model and cluster model is less well explored. The connection of the harmonic oscillator (i.e. SU(3)) bases of the two approaches is known [2] but it was established only for the unrealistic harmonic oscillator interactions. Here we investigate the question: Can an SU(3) dynamically symmetric interaction provide a similar connection between the spherical shell model and the cluster model, like the one between the shell and collective models? In other words: whether or not the energy of the states of the cluster bands, defined by a specific SU(3) symmetries, can be obtained from a shell model Hamiltonian (with SU(3) dynamical symmetry). We carried out calculations within the framework of the semimicroscopic algebraic cluster model [3,4] in order to find an answer to this question, which seems to be affirmative. In particular, the energies obtained from such a Hamiltonian for several bands of the ( 12 C, 14 C, 16 O, 20 Ne, 40 Ca) + α systems turn out to be in good agreement with the experimental values. The present results show that the simple and transparent SU(3) connection between the spherical shell model and the cluster model is valid not only for the harmonic oscillator interactions, but for much more general (SU(3) dynamically symmetric) Hamiltonians as well, which result in realistic energy spectra. Via

Influence of isovector pairing and particle-number projection effects on spectroscopic factors for one-pair like-particle transfer reactions in proton-rich even-even nuclei

Science.gov (United States)

Benbouzid, Y.; Allal, N. H.; Fellah, M.; Oudih, M. R.

2018-04-01

Isovector neutron-proton (np) pairing and particle-number fluctuation effects on the spectroscopic factors (SF) corresponding to one-pair like-particle transfer reactions in proton-rich even-even nuclei are studied. With this aim, expressions of the SF corresponding to two-neutron stripping and two-proton pick-up reactions, which take into account the isovector np pairing effect, are established within the generalized BCS approach, using a schematic definition proposed by Chasman. Expressions of the same SF which strictly conserve the particle number are also established within the Sharp-BCS (SBCS) discrete projection method. In both cases, it is shown that these expressions generalize those obtained when only the pairing between like particles is considered. First, the formalism is tested within the Richardson schematic model. Second, it is applied to study even-even proton-rich nuclei using the single-particle energies of a Woods-Saxon mean-field. In both cases, it is shown that the np pairing effect and the particle-number projection effect on the SF values are important, particularly in N = Z nuclei, and must then be taken into account.

Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2010-08-14

The spin-adaptation of single-reference quantum chemical methods for excited states of open-shell systems has been nontrivial. The primary reason is that the configuration space, generated by a truncated rank of excitations from only one component of a reference multiplet, is spin-incomplete. Those "missing" configurations are of higher ranks and can, in principle, be recaptured by a particular class of excitation operators. However, the resulting formalisms are then quite involved and there are situations [e.g., time-dependent density functional theory (TD-DFT) under the adiabatic approximation] that prevent one from doing so. To solve this issue, we propose here a tensor-coupling scheme that invokes all the components of a reference multiplet (i.e., a tensor reference) rather than increases the excitation ranks. A minimal spin-adapted n-tuply excited configuration space can readily be constructed by tensor products between the n-tuple tensor excitation operators and the chosen tensor reference. Further combined with the tensor equation-of-motion formalism, very compact expressions for excitation energies can be obtained. As a first application of this general idea, a spin-adapted open-shell random phase approximation is first developed. The so-called "translation rule" is then adopted to formulate a spin-adapted, restricted open-shell Kohn-Sham (ROKS)-based TD-DFT (ROKS-TD-DFT). Here, a particular symmetry structure has to be imposed on the exchange-correlation kernel. While the standard ROKS-TD-DFT can access only excited states due to singlet-coupled single excitations, i.e., only some of the singly excited states of the same spin (S(i)) as the reference, the new scheme can capture all the excited states of spin S(i)-1, S(i), or S(i)+1 due to both singlet- and triplet-coupled single excitations. The actual implementation and computation are very much like the (spin-contaminated) unrestricted Kohn-Sham-based TD-DFT. It is also shown that spin-contaminated spin

Excitation of the Roper resonance and study of higher baryon resonances

International Nuclear Information System (INIS)

Morsch, H.P.; Forschungszentrum Juelich GmbH

1992-01-01

The region of the P 11 resonance N(1440) is investigated in inelastic α-scattering on hydrogen using alpha-particles from Saturne with a beam momentum of 7 GeV/c. In the missing mass spectra of the scattered α-particles two effects are observed, excitation of the projectile, preferentially excited to the Δ-resonance, and excitation of the Roper resonance. The large differential cross sections indicate a structure of a compression mode. From this the compressibility of the nucleon K N may be extracted. The Roper resonance excitation corresponds to a surface mode which may be related to an oscillation of the meson cloud. The other monopole mode which corresponds to a vibration of the valence quarks should lie at about 800 MeV of excitation or above. This is the region of the P 11 (1710 MeV) resonance. Therefore experiments are important to measure the monopole strength in this energy region. Another interesting aspect is the scalar polarizability which can be extracted from inelastic dipole excitations (squeezing modes) as excitation energies above 500 MeV

Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

Science.gov (United States)

Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

2018-06-01

A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

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.

Determination of K shell absorption jump factors and jump ratios of 3d transition metals by measuring K shell fluorescence parameters.

Science.gov (United States)

Kaçal, Mustafa Recep; Han, İbrahim; Akman, Ferdi

2015-01-01

Energy dispersive X-ray fluorescence technique (EDXRF) has been employed for measuring K-shell absorption jump factors and jump ratios for Ti, Cr, Fe, Co, Ni and Cu elements. The jump factors and jump ratios for these elements were determined by measuring K shell fluorescence parameters such as the Kα X-ray production cross-sections, K shell fluorescence yields, Kβ-to-Kα X-rays intensity ratios, total atomic absorption cross sections and mass attenuation coefficients. The measurements were performed using a Cd-109 radioactive point source and an Si(Li) detector in direct excitation and transmission experimental geometry. The measured values for jump factors and jump ratios were compared with theoretically calculated and the ones available in the literature. Copyright © 2014 Elsevier Ltd. All rights reserved.

Femtosecond dynamics of electron transfer in a neutral organic mixed-valence compound

International Nuclear Information System (INIS)

Maksimenka, Raman; Margraf, Markus; Koehler, Juliane; Heckmann, Alexander; Lambert, Christoph; Fischer, Ingo

2008-01-01

In this article we report a femtosecond time-resolved transient absorption study of a neutral organic mixed-valence (MV) compound with the aim to gain insight into its charge-transfer dynamics upon optical excitation. The back-electron transfer was investigated in five different solvents, toluene, dibutyl ether, methyl-tert-butyl ether (MTBE), benzonitrile and n-hexane. In the pump step, the molecule was excited at 760 nm and 850 nm into the intervalence charge-transfer band. The resulting transients can be described by two time constant. We assign one time constant to the rearrangement of solvent molecules in the charge-transfer state and the second time constant to back-electron transfer to the electronic ground state. Back-electron transfer rates range from 1.5 x 10 12 s -1 in benzonitrile through 8.3 x 10 11 s -1 in MTBE, around 1.6 x 10 11 s -1 in dibutylether and toluene and to 3.8 x 10 9 s -1 in n-hexane

Emotional valence and the free-energy principle.

Science.gov (United States)

Joffily, Mateus; Coricelli, Giorgio

2013-01-01

The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.

Emotional valence and the free-energy principle.

Directory of Open Access Journals (Sweden)

Mateus Joffily

Full Text Available The free-energy principle has recently been proposed as a unified Bayesian account of perception, learning and action. Despite the inextricable link between emotion and cognition, emotion has not yet been formulated under this framework. A core concept that permeates many perspectives on emotion is valence, which broadly refers to the positive and negative character of emotion or some of its aspects. In the present paper, we propose a definition of emotional valence in terms of the negative rate of change of free-energy over time. If the second time-derivative of free-energy is taken into account, the dynamics of basic forms of emotion such as happiness, unhappiness, hope, fear, disappointment and relief can be explained. In this formulation, an important function of emotional valence turns out to regulate the learning rate of the causes of sensory inputs. When sensations increasingly violate the agent's expectations, valence is negative and increases the learning rate. Conversely, when sensations increasingly fulfil the agent's expectations, valence is positive and decreases the learning rate. This dynamic interaction between emotional valence and learning rate highlights the crucial role played by emotions in biological agents' adaptation to unexpected changes in their world.

High spin structure of 35Cl and the sd-fp shell gap

International Nuclear Information System (INIS)

Kshetri, Ritesh; Saha Sarkar, M.; Ray, Indrani; Banerjee, P.; Sarkar, S.; Raut, Rajarshi; Goswami, A.; Chatterjee, J.M.; Chattopadhyay, S.; Datta Pramanik, U.; Mukherjee, A.; Dey, C.C.; Bhattacharya, S.; Dasmahapatra, B.; Bhowal, Samit; Gangopadhyay, G.; Datta, P.; Jain, H.C.; Bhowmik, R.K.; Muralithar, S.; Singh, R.P.; Kumar, R.

2007-01-01

The high spin states of 35 Cl have been studied by in-beam γ-spectroscopy following the fusion-evaporation reaction 12 C( 28 Si,αp) 35 Cl at E lab =70 and 88 MeV, using the Indian National Gamma (Clover) Array (INGA). Lifetimes of six new excited states have been estimated for the first time. To understand the underlying structure of the levels and transition mechanisms, experimental results have been compared with those from the large basis cross-shell shell model calculations. Involvement of orbitals from fp shell and squeezing of the sd-fp shell gap seem to be essential for reliable reproduction of high spin states

Precision spectroscopy with COMPASS and the observation of a new iso-vector resonance

Directory of Open Access Journals (Sweden)

Paul Stephan

2014-06-01

Full Text Available We report on the results of a novel partial-wave analysis based on 50 ⋅ 106 events from the reaction π− + p → π−π−π+ + precoil at 190 GeV/c incoming beam momentum using the COMPASS spectrometer. A separated analysis in bins of m3π and four-momentum transfer t′ reveals the interference of resonant and non-resonant particle production and allows their spectral separation. Besides well known resonances we observe a new iso-vector meson a1(1420 at a mass of 1420 MeV/c2 in the f0(980π final state only, the origin of which is unclear. We have also examined the structure of the 0++ππ-isobar in the JPC = 0−+, 1++, 2−+ three pion waves. This clearly reveals the various 0++ππ-isobar components and its correlation to the decay of light mesons.

Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

International Nuclear Information System (INIS)

Beni, A; Bogani, L; Bussotti, L; Dei, A; Gentili, P L; Righini, R

2005-01-01

The valence tautomerism of low-spin Co III (Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co II (Cat-N-BQ) 2 that, secondly, reaches the chemical equilibrium with the reactant species

Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

Science.gov (United States)

Beni, A.; Bogani, L.; Bussotti, L.; Dei, A.; Gentili, P. L.; Righini, R.

2005-01-01

The valence tautomerism of low-spin CoIII(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin CoII(Cat-N-BQ)2 that, secondly, reaches the chemical equilibrium with the reactant species.

Microwave ionization and excitation of Ba Rydberg atoms

International Nuclear Information System (INIS)

Eichmann, U.; Dexter, J.L.; Xu, E.Y.; Gallagher, T.F.

1989-01-01

We have investigated ionization and excitation of the Ba 6sn s 1 S 0 and 6snd 1,3 D 2 series in strong microwave fields. The observed microwave ionization threshold fields, scaling as 0.28 n -5 , and the state mixing fields cannot be completely explained in terms of a single cycle Landau-Zener model. However, by taking into account multiphoton resonant transitions driven by many cycles of the microwave field we have been able to interpret the data. In particular multi-photon transitions have been found to be responsible for apparent resonance structures and for the unexpectedly low mixing fields. Not surprisingly, doubly excited valence states introduce irregularities into both the microwave ionization and the state mixing field values. (orig.)

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

Science.gov (United States)

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

1994-04-01

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

Electron impact spectroscopy of methane, silane, and germane

International Nuclear Information System (INIS)

Dillon, M.A.; Wang, R.G.; Spence, D.

1985-01-01

Electronic spectra of the group IV/sub a/ hydrides, i.e., methane (CH 4 ), silane (SiH 4 ), and germane (GeH 4 ) have been investigated by means of electron energy loss spectroscopy in an energy range that includes all single-electron excitation from the valence shell. Electron impact spectra of the three gases recorded using electrons of 200-eV incidence are presented. The conditions employed were chosen to favor the excitation of states by direct scattering and to exclude those transitions requiring an exchange mechanism

Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of the projectile charge and velocity; Ionisation et excitation de l'atome de lithium par impact de particules chargees rapides: Identification des mecanismes de creation de deux lacunes en couche K du lithium en fonction de la charge et de la vitesse du projectile

Energy Technology Data Exchange (ETDEWEB)

Rangama, J

2002-11-01

Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of projectile charge and velocity. Auger electron spectroscopy is used for an experimental investigation of ionization and excitation of lithium atoms by ions (Kr34{sup +} and Ar18{sup +}) and electrons at high impact velocities (from 6 to 60 a.u.). In particular, relative contributions of the mechanisms responsible for lithium K-shell ionization-excitation are determined for various projectile charges Zp and velocities vp. A large range of perturbation parameters |Zp|/vp is explored (|Zp|/vp = 0,05 - 0,7 a.u.). From single K-shell excitation results, it appears that the projectile-electron interaction gives mainly rise to a dipole-like transition 1s -> np Concerning K-shell ionization-excitation, the separation of the TS2 (two independent projectile-electron interactions) and TS1 (one projectile-electron interaction) mechanisms responsible for the formation of the 2snp 1,3P and 2sns 1,3S lithium states is performed. In TS1 process, the projectile-electron interaction can be followed by an electron-electron interaction (dielectronic process) or by an internal rearrangement of the residual target after a sudden potential change (shake process). From Born theory, ab initio calculations are performed. The good agreement between theoretical and experimental results confirms the mechanism identification. For the production of P states, TS1 is found to be strongly dominant for small |Zp|/vp values and TS2 is found to be most important for large |Zp|/vp values. Since P states cannot be formed significantly via a shake process, the TS1 and TS2 separation provides a direct signature of the dielectronic process. On the other hand, the TS1 process is shown to be the unique process for producing the S states. At the moment, only the shake aspect of the TS1 process can explain the fact that the 2s3s configuration is

Valence bond solids for SU(n) spin chains: Exact models, spinon confinement, and the Haldane gap

International Nuclear Information System (INIS)

Greiter, Martin; Rachel, Stephan

2007-01-01

To begin with, we introduce several exact models for SU(3) spin chains: First is a translationally invariant parent Hamiltonian involving four-site interactions for the trimer chain, with a threefold degenerate ground state. We provide numerical evidence that the elementary excitations of this model transform under representation 3 of SU(3) if the original spins of the model transform under representation 3. Second is a family of parent Hamiltonians for valence bond solids of SU(3) chains with spin representations 6, 10, and 8 on each lattice site. We argue that of these three models, only the latter two exhibit spinon confinement and, hence, a Haldane gap in the excitation spectrum. We generalize some of our models to SU(n). Finally, we use the emerging rules for the construction of valence bond solid states to argue that models of antiferromagnetic chains of SU(n) spins, in general, possess a Haldane gap if the spins transform under a representation corresponding to a Young tableau consisting of a number of boxes λ which is divisible by n. If λ and n have no common divisor, the spin chain will support deconfined spinons and not exhibit a Haldane gap. If λ and n have a common divisor different from n, it will depend on the specifics of the model including the range of the interaction

Wobbling excitations in odd-A nuclei with high-j aligned particles

International Nuclear Information System (INIS)

Hamamoto, Ikuko

2002-01-01

Using the particle-rotor model in which one high-j quasiparticle is coupled to the core of triaxial shape, wobbling excitations are studied. The family of wobbling phonon excitations can be characterized by: (a) very similar intrinsic structure while collective rotation shows the wobbling feature; (b) strong B(E2;I→I-1) values for Δn w =1 transitions where n w expresses the number of wobbling phonons. For the Fermi level lying below the high-j shell with the most favorable triaxiality γ≅+20 deg., the wobbling phonon excitations may be more easily identified close to the yrast line, compared with the Fermi level lying around the middle of the shell with γ≅-30 deg. The spectroscopic study of the yrast states for the triaxial shape with -60 deg. <γ<0 are illustrated by taking a representative example with γ=-30 deg., in which a quantum number related with the special symmetry is introduced to help the physics understanding

Valency and molecular structure

CERN Document Server

Cartmell, E

1977-01-01

Valency and Molecular Structure, Fourth Edition provides a comprehensive historical background and experimental foundations of theories and methods relating to valency and molecular structures. In this edition, the chapter on Bohr theory has been removed while some sections, such as structures of crystalline solids, have been expanded. Details of structures have also been revised and extended using the best available values for bond lengths and bond angles. Recent developments are mostly noted in the chapter on complex compounds, while a new chapter has been added to serve as an introduction t

Wave Function Engineering in CdSe/PbS Core/Shell Quantum Dots.

Science.gov (United States)

Wieliczka, Brian M; Kaledin, Alexey L; Buhro, William E; Loomis, Richard A

2018-05-25

The synthesis of epitaxial CdSe/PbS core/shell quantum dots (QDs) is reported. The PbS shell grows in a rock salt structure on the zinc blende CdSe core, thereby creating a crystal structure mismatch through additive growth. Absorption and photoluminescence (PL) band edge features shift to lower energies with increasing shell thickness, but remain above the CdSe bulk band gap. Nevertheless, the profiles of the absorption spectra vary with shell growth, indicating that the overlap of the electron and hole wave functions is changing significantly. This leads to over an order of magnitude reduction of absorption near the band gap and a large, tunable energy shift, of up to 550 meV, between the onset of strong absorption and the band edge PL. While the bulk valence and conduction bands adopt an inverse type-I alignment, the observed spectroscopic behavior is consistent with a transition between quasi-type-I and quasi-type-II behavior depending on shell thickness. Three effective mass approximation models support this hypothesis and suggest that the large difference in effective masses between the core and shell results in hole localization in the CdSe core and a delocalization of the electron across the entire QD. These results show the tuning of wave functions and transition energies in CdSe/PbS nanoheterostructures with prospects for use in optoelectronic devices for luminescent solar concentration or multiexciton generation.

[Emotional valence of words in schizophrenia].

Science.gov (United States)

Jalenques, I; Enjolras, J; Izaute, M

2013-06-01

Emotion recognition is a domain in which deficits have been reported in schizophrenia. A number of emotion classification studies have indicated that emotion processing deficits in schizophrenia are more pronounced for negative affects. Given the difficulty of developing material suitable for the study of these emotional deficits, it would be interesting to examine whether patients suffering from schizophrenia are responsive to positively and negatively charged emotion-related words that could be used within the context of remediation strategies. The emotional perception of words was examined in a clinical experiment involving schizophrenia patients. This emotional perception was expressed by the patients in terms of the valence associated with the words. In the present study, we investigated whether schizophrenia patients would assign the same negative and positive valences to words as healthy individuals. Twenty volunteer, clinically stable, outpatients from the Psychiatric Service of the University Hospital of Clermont-Ferrand were recruited. Diagnoses were based on DSM-IV criteria. Global psychiatric symptoms were assessed using the Positive and Negative Symptoms Scale (PANSS). The patients had to evaluate the emotional valence of a set of 300 words on a 5-point scale ranging from "very unpleasant" to "very pleasant". . The collected results were compared with those obtained by Bonin et al. (2003) [13] from 97 University students. Correlational analyses of the two studies revealed that the emotional valences were highly correlated, i.e. the schizophrenia patients estimated very similar emotional valences. More precisely, it was possible to examine three separate sets of 100 words each (positive words, neutral words and negative words). The positive words that were evaluated were the more positive words from the norms collected by Bonin et al. (2003) [13], and the negative words were the more negative examples taken from these norms. The neutral words

A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states.

Science.gov (United States)

Miranda, R P; Fisher, A J; Stella, L; Horsfield, A P

2011-06-28

The solution of the time-dependent Schrödinger equation for systems of interacting electrons is generally a prohibitive task, for which approximate methods are necessary. Popular approaches, such as the time-dependent Hartree-Fock (TDHF) approximation and time-dependent density functional theory (TDDFT), are essentially single-configurational schemes. TDHF is by construction incapable of fully accounting for the excited character of the electronic states involved in many physical processes of interest; TDDFT, although exact in principle, is limited by the currently available exchange-correlation functionals. On the other hand, multiconfigurational methods, such as the multiconfigurational time-dependent Hartree-Fock (MCTDHF) approach, provide an accurate description of the excited states and can be systematically improved. However, the computational cost becomes prohibitive as the number of degrees of freedom increases, and thus, at present, the MCTDHF method is only practical for few-electron systems. In this work, we propose an alternative approach which effectively establishes a compromise between efficiency and accuracy, by retaining the smallest possible number of configurations that catches the essential features of the electronic wavefunction. Based on a time-dependent variational principle, we derive the MCTDHF working equation for a multiconfigurational expansion with fixed coefficients and specialise to the case of general open-shell states, which are relevant for many physical processes of interest.

Localized description of valence fluctuations

International Nuclear Information System (INIS)

Alascio, B.; Allub, R.; Aligia, A.

1979-07-01

The authors set up a model for intermediate valence equivalent to the ''atomic'' limit of the Anderson Hamiltonian. Detailed analysis of this model shows that most of the essential characteristics of valence fluctuators are already present in this crudely simplified Hamiltonian. The spin-spin and the 4f charge-charge correlation functions are studied and it is shown that it is possible to define a spin fluctuation frequency ωsub(s.f.) and a charge fluctuation frequency ωsub(ch.f.).ωsub(s.f.) and ωsub(ch.f.) can differ considerably for some values of the parameters of the model. The magnetic susceptibility and the specific heat are calculated as functions of temperature and it is shown how the results simulate the behaviour found in valence fluctuators. (author)

Study of excitation energy dependence of nuclear level density parameter

International Nuclear Information System (INIS)

Mohanto, G.; Nayak, B.K.; Saxena, A.

2016-01-01

In the present study, we have populated CN by fusion reaction and excitation energy of the intermediate nuclei is determined after first chance α-emission to investigate excitation energy dependence of the NLD parameter. Evaporated neutron spectra were measured following alpha evaporation for obtaining NLD parameter for the reaction 11 B + 197 Au, populating CN 208 Po. This CN after evaporating an α-particle populates intermediate nucleus 204 Pb. The 204 Pb has magic number of Z=82. Our aim is to study the excitation energy dependence of NLD parameter for closed shell nuclei

Determination of K shell absorption jump factors and jump ratios in the elements between Tm(Z = 69) and Os(Z = 76) by measuring K shell fluorescence parameters

International Nuclear Information System (INIS)

Kaya, N.; Tirasoglu, E.; Apaydin, G.

2008-01-01

The K shell absorption jump factors and jump ratios have been measured in the elements between Tm (Z = 69) and Os(Z = 76) without having any mass attenuation coefficient at the upper and lower energy branch of the K absorption edge. The jump factors and jump ratios for these elements have been determined by measuring K shell fluorescence parameters such as the total atomic absorption cross-sections, the K α X-ray production cross-sections, the intensity ratio of the K β and K α X-rays and the K shell fluorescence yields. We have performed the measurements for the calculations of these values in attenuation and direct excitation experimental geometry. The K X-ray photons are excited in the target using 123.6 keV gamma-rays from a strong 57 Co source, and detected with an Ultra-LEGe solid state detector with a resolution 0.15 keV at 5.9 keV. The measured values have been compared with theoretical and others' experimental values. The results have been plotted versus atomic number

Determination of K shell absorption jump factors and jump ratios in the elements between Tm( Z = 69) and Os( Z = 76) by measuring K shell fluorescence parameters

Science.gov (United States)

Kaya, N.; Tıraşoğlu, E.; Apaydın, G.

2008-04-01

The K shell absorption jump factors and jump ratios have been measured in the elements between Tm ( Z = 69) and Os( Z = 76) without having any mass attenuation coefficient at the upper and lower energy branch of the K absorption edge. The jump factors and jump ratios for these elements have been determined by measuring K shell fluorescence parameters such as the total atomic absorption cross-sections, the K α X-ray production cross-sections, the intensity ratio of the K β and K α X-rays and the K shell fluorescence yields. We have performed the measurements for the calculations of these values in attenuation and direct excitation experimental geometry. The K X-ray photons are excited in the target using 123.6 keV gamma-rays from a strong 57Co source, and detected with an Ultra-LEGe solid state detector with a resolution 0.15 keV at 5.9 keV. The measured values have been compared with theoretical and others' experimental values. The results have been plotted versus atomic number.

Coulomb excitation of doubly magic $^{132}$Sn with MINIBALL at HIE-ISOLDE

CERN Multimedia

We propose to study the vibrational first 2$^{+}$ and 3$^{-}$ states of the doubly magic nucleus $^{132}$ Sn via Coulomb excitation using the HIE-ISOLDE facility coupled with the highly efficient MINIBALL array. The intense $^{132}$Sn beam at ISOLDE, the high beam energy of HIE-ISOLDE, the high energy resolution and good efficiency of the MINIBALL provide a unique combination and favourable advantages to master this demanding measurement. Reliable B(E2;0$^{+}\\rightarrow$ 2$^{+}$) values for neutron deficient $^{106,108,110}$Sn were obtained with the MINIBALL at REX-ISOLDE. These measurements can be extended up to and beyond the shell closure at the neutron-rich side with $^{132}$Sn. The results on excited collective states in $^{132}$Sn will provide crucial information on 2p-2h cross shell configurations which are expected to be dominated by a strong proton contribution. Predictions are made within various large scale shell model calculations and new mean field calculations within the framework of different a...

Photo-induced valence change of the sulfur atom in an L-cysteine thin film grown on a silver metal substrate in a saliva-emulated aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Tsujibayashi, Toru [Department of Physics, Osaka Dental University, 8-1 Kuzuha-hanazono, Hirakata, Osaka 573-1121 (Japan); Azuma, Junpei; Yamamoto, Isamu; Takahashi, Kazutoshi; Kamada, Masao [Synchrotron Light Application Center, Saga University, 1 Honjo, Saga, Saga 840-8502 (Japan)

2015-04-27

A thin film of L-cysteine (HSCH{sub 2}CH(NH{sub 2})COOH) is grown on a silver substrate in saliva-emulated aqueous solution. X-ray photoemission spectroscopic measurements have revealed that the sulfur atom shows valence change under IR laser irradiation at 825 nm. The valence change maintains for about a minute at room temperature and more than an hour between 110 and 250 K after stopping the laser irradiation. It is not observed at all at temperatures lower than 110 K. This temperature-dependent behavior indicates that the photo-excited electronic change should be accompanied by a conformational change in the L-cysteine molecule. It is strongly suggested that the reversible valence change of the sulfur atom is applicable to a memory used around room temperature.

Fluorescent pH sensor based on Ag@SiO2 core-shell nanoparticle.

Science.gov (United States)

Bai, Zhenhua; Chen, Rui; Si, Peng; Huang, Youju; Sun, Handong; Kim, Dong-Hwan

2013-06-26

We have demonstrated a novel method for the preparation of a fluorescence-based pH sensor by combining the plasmon resonance band of Ag core and pH sensitive dye (HPTS). A thickness-variable silica shell is placed between Ag core and HPTS dye to achieve the maximum fluorescence enhancement. At the shell thickness of 8 nm, the fluorescence intensity increases 4 and 9 times when the sensor is excited at 405 and 455 nm, respectively. At the same time, the fluorescence intensity shows a good sensitivity toward pH value in the range of 5-9, and the ratio of emission intensity at 513 nm excited at 455 nm to that excited at 405 nm versus the pH value in the range of 5-9 is determined. It is believed that the present pH sensor has the potential for determining pH real time in the biological sample.

Response analysis of the dynamic excitation of hen eggs

OpenAIRE

Libor Severa

2007-01-01

Commercially produced hen eggs have been tested by means of dynamic excitation of the egg-shells with following analysis of their response. The falling steel ball have been chosen as a exciting instrument and the laser vibrometer have been used as a measuring device for the egg response. The reproductibility of the experiments has been relatively high and the surface velocity has been found to be significantly dependent on the position around the meridian. Analysed frequency spectrum has show...

Pathological behavior of the open-shell restricted self-consistent-field equations

International Nuclear Information System (INIS)

Moscardo, F.; Alvarez-Collado, J.R.

1979-01-01

The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations

Pathological behavior of the open-shell restricted self-consistent-field equations

Energy Technology Data Exchange (ETDEWEB)

Moscardo, F.; Alvarez-Collado, J.R.

1979-02-01

The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations.

Coulomb excitation of {sup 107}Sn

Energy Technology Data Exchange (ETDEWEB)

DiJulio, D.D.; Cederkall, J.; Fahlander, C. [Lund University, Physics Department, 118, Lund (Sweden); Ekstroem, A. [University of Oslo, Department of Physics and Center of Mathematics for Applications, Oslo (Norway); Hjorth-Jensen, M. [University of Oslo, Department of Physics and Center of Mathematics for Applications, Oslo (Norway); Michigan State University, National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, East Lansing, MI (United States); Albers, M.; Blazhev, A.; Fransen, C.; Geibel, K.; Hess, H.; Reiter, P.; Seidlitz, M.; Taprogge, J.; Warr, N. [University of Cologne, Institute of Nuclear Physics, Cologne (Germany); Bildstein, V.; Gernhaeuser, R.; Wimmer, K. [Technische Universitaet Muenchen, Physik Department E12, Garching (Germany); Darby, I.; Witte, H. de [Instituut voor Kern- en Stralingsfysica, Leuven (Belgium); Davinson, T. [University of Edinburgh, Department of Physics and Astronomy, Edinburgh (United Kingdom); Diriken, J. [Instituut voor Kern- en Stralingsfysica, Leuven (Belgium); Studiecentrum voor Kernenergie/Centre d' Etude de l' energie Nucleaire (SCK CEN), Mol (Belgium); Goergen, A.; Siem, S.; Tveten, G.M. [University of Oslo, Department of Physics, Oslo (Norway); Iwanicki, J. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); Lutter, R. [Ludwig-Maximilians-Universitaet Muenchen, Fakultaet fuer Physik, Garching (Germany); Scheck, M. [University of Liverpool, Oliver Lodge Laboratory, Liverpool (United Kingdom); Walle, J.V. de [PH Department, Geneva 23 (Switzerland); Voulot, D.; Wenander, F. [AB Department, Geneva 23 (Switzerland)

2012-07-15

The radioactive isotope {sup 107}Sn was studied using Coulomb excitation at the REX-ISOLDE facility at CERN. This is the lightest odd-Sn nucleus examined using this technique. The reduced transition probability of the lowest-lying 3/2{sup +} state was measured and is compared to shell-model predictions based on several sets of single-neutron energies relative to {sup 100}Sn. Similar to the transition probabilities for the 2{sup +} states in the neutron-deficient even-even Sn nuclei, the measured value is underestimated by shell-model calculations. Part of the strength may be recovered by considering the ordering of the d{sub 5/2} and g{sub 7/2} single-neutron states. (orig.)

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

International Nuclear Information System (INIS)

Hayaishi, T.

1986-01-01

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

Resonant Inelastic X-ray Scattering: From band mapping to inter-orbital excitations

International Nuclear Information System (INIS)

Luning, J.; Hague, C.F.

2008-01-01

Resonant inelastic X-ray scattering (also known as resonant X-ray Raman spectroscopy when only valence and conduction states are involved in the final state excitation) has developed into a major tool for understanding the electronic properties of complex materials. Presently it provides access to electron excitations in the few hundred meV range with element and bulk selectivity. Recent progress in X-ray optics and synchrotron radiation engineering have opened up new perspectives for this powerful technique to improve resolving power and efficiency. We briefly present the basics of the method and illustrate its potential with examples chosen from the literature. (authors)

Efficient charge carriers induced by extra outer-shell electrons in iron-pnictides: a comparison between Ni- and Co-doped CaFeAsF

International Nuclear Information System (INIS)

Zhang Min; Yu Yi; Tan Shun; Zhang Yuheng; Zhang Changjin; Zhang Lei; Qu Zhe; Ling Langsheng; Xi, Chuanying

2010-01-01

A comprehensive study of the difference between CaFe 1-x Ni x AsF and CaFe 1-x Co x AsF systems has been carried out by measuring the efficient charge carrier concentration, the valence states and the superconducting phase diagram. It is found that at the same doping level, Ni doping introduces nearly twice the number of charge carriers as Co doping. However, x-ray absorption near-edge spectroscopy measurements reveal that the valence state of Fe in both systems is close to 2, indicating that there is no valence mismatch. We suggest that the charge carriers in CaFe 1-x M x AsF (M=transition metal elements) are not induced by valence mismatch but come from the difference in the number of outer-shell electrons. We also suggest that with Ni and Co doping, the systems change from a multi-band material in the underdoped regions to a single-band state in the overdoped regions.

First spectroscopy of 66Se and 65As: Investigating shape coexistence beyond the N=Z line

International Nuclear Information System (INIS)

Obertelli, A.; Baugher, T.; Bazin, D.; Boissinot, S.; Delaroche, J.-P.; Dijon, A.; Flavigny, F.; Gade, A.; Girod, M.; Glasmacher, T.; Grinyer, G.F.; Korten, W.; Ljungvall, J.; McDaniel, S.; Ratkiewicz, A.; Sulignano, B.; Van Isacker, P.; Weisshaar, D.

2011-01-01

We report on the first γ spectroscopy of 66 Se and 65 As from two-neutron removal at intermediate beam energies. The deduced excitation energies for the first-excited states in 66 Se and 65 As are compared to mean-field-based predictions within a collective Hamiltonian formalism using the Gogny D1S effective interaction and to state-of-the-art shell-model calculations restricted to the pf 5/2 g 9/2 valence space. The obtained Coulomb-energy differences for the first excited states in 66 Se and 65 As are discussed within the shell-model formalism to assess the shape-coexistence picture for both nuclei. Our results support a favored oblate ground-state deformation in 66 Se and 65 As. A shape transition for the ground state of even-odd As isotopes from oblate in 65 As to prolate in 67,69,71 As is suggested.

Radar attenuation in Europa's ice shell: obstacles and opportunities for constraining shell thickness and thermal structure

Science.gov (United States)

Kalousova, Klara; Schroeder, Dustin M.; Soderlund, Krista M.; Sotin, Christophe

2016-10-01

With its strikingly young surface and possibly recent endogenic activity, Europa is one of the most exciting bodies within our Solar System and a primary target for spacecraft exploration. Future missions to Europa are expected to carry ice penetrating radar instruments which are powerful tools to investigate the subsurface thermophysical structure of its ice shell.Several authors have addressed the 'penetration depth' of radar sounders at icy moons, however, the concept and calculation of a single value penetration depth is a potentially misleading simplification since it ignores the thermal and attenuation structure complexity of a realistic ice shell. Here we move beyond the concept of a single penetration depth by exploring the variation in two-way radar attenuation for a variety of potential thermal structures of Europa's ice shell as well as for a low loss and high loss temperature-dependent attenuation model. The possibility to detect brines is also investigated.Our results indicate that: (i) for all ice shell thicknesses investigated (5-30 km), a nominal satellite-borne radar sounder will penetrate between 15% and 100% of the total thickness, (ii) the maximum penetration depth strongly varies laterally with the deepest penetration possible through the cold downwellings, (iii) the direct detection of the ice/ocean interface might be possible for shells of up to 15 km if the radar signal travels through the cold downwelling, (iv) even if the ice/ocean interface is not detected, the penetration through most of the shell could constrain the deep shell structure through the loss of signal, and (v) for all plausible ice shells the two-way attenuation to the eutectic point is ≤30 dB which shows a robust potential for longitudinal investigation of the ice shell's shallow structure.Part of this work has been performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract to NASA. K.K. acknowledges support by the Grant Agency of the

A truncated spherical shell model for nuclear collective excitations: Applications to the odd-mass systems, neutron-proton systems, and other topics

International Nuclear Information System (INIS)

Wu, Hua.

1989-01-01

One of the most elusive quantum system in nature is the nucleus, which is a strongly interacting many body system. In the hadronic (a la neutrons and protons) phase, the primary concern of this thesis, the nucleus' single particle excitations are intertwined with their various collective excitations. Although the underpinning of the nucleus is the spherical shell model, it is rendered powerless without a severe, but intelligent truncation of the infinite Hilbert space. The recently proposed Fermion Dynamical Symmetry Model (FDSM) is precisely such a truncation scheme and in which a symmetry-dictated truncation scheme is introduced in nuclear physics for the first time. In this thesis, extensions and explorations of the FDSM are made to specifically study the odd mass (where the most intricate mixing of the single particle and the collective excitations are observed) and the neutron-proton systems. In particular, the author finds that the previously successful phenomenological particle-rotor-model of the Copenhagen school can now be well understood microscopically via the FDSM. Furthermore, the well known Coriolis attenuation and variable moment of inertia effects are naturally understood from the model as well. A computer code FDUO was written by one of us to study, for the first time, the numerical implications of the FDSM. Several collective modes were found even when the system does not admit a group chain description. In addition, the code is most suitable to study the connection between level statistical behavior (a at Gaussian Orthogonal Ensemble) and dynamical symmetry. It is found that there exist critical region of the interaction parameter space were the system behaves chaotically. This information is certainly crucial to understanding quantum chaotic behavior

CdSe/AsS core-shell quantum dots: preparation and two-photon fluorescence.

Science.gov (United States)

Wang, Junzhong; Lin, Ming; Yan, Yongli; Wang, Zhe; Ho, Paul C; Loh, Kian Ping

2009-08-19

Arsenic(II) sulfide (AsS)-coated CdSe core-shell nanocrystals can be prepared by a cluster-complex deposition approach under mild conditions. At 60 degrees C, growth of an AsS shell onto a CdSe nanocrystal can be realized through the crystallization of a cluster complex of AsS/butylamine in a mixed solvent of isopropanol/chloroform. The new, type I core-shell nanocrystal exhibits markedly enhanced one-photon fluorescence as well two-photon upconversion fluorescence. The nanocrystals can be used for infrared-excited upconversion cellular labeling.

Amplified Photon Upconversion by Photonic Shell of Cholesteric Liquid Crystals.

Science.gov (United States)

Kang, Ji-Hwan; Kim, Shin-Hyun; Fernandez-Nieves, Alberto; Reichmanis, Elsa

2017-04-26

As an effective platform to exploit triplet-triplet-annihilation-based photon upconversion (TTA-UC), microcapsules composed of a fluidic UC core and photonic shell are microfluidically prepared using a triple emulsion as the template. The photonic shell consists of cholesteric liquid crystals (CLCs) with a periodic helical structure, exhibiting a photonic band gap. Combined with planar anchoring at the boundaries, the shell serves as a resonance cavity for TTA-UC emission and enables spectral tuning of the UC under low-power-density excitation. The CLC shell can be stabilized by introducing a polymerizable mesogen in the LC host. Because of the microcapsule spherical symmetry, spontaneous emission of the delayed fluorescence is omnidirectionally amplified at the edge of the stop band. These results demonstrate the range of opportunities provided by TTA-UC systems for the future design of low-threshold photonic devices.

Positive valence music restores executive control over sustained attention.

Science.gov (United States)

Baldwin, Carryl L; Lewis, Bridget A

2017-01-01

Music sometimes improves performance in sustained attention tasks. But the type of music employed in previous investigations has varied considerably, which can account for equivocal results. Progress has been hampered by lack of a systematic database of music varying in key characteristics like tempo and valence. The aims of this study were to establish a database of popular music varying along the dimensions of tempo and valence and to examine the impact of music varying along these dimensions on restoring attentional resources following performance of a sustained attention to response task (SART) vigil. Sixty-nine participants rated popular musical selections that varied in valence and tempo to establish a database of four musical types: fast tempo positive valence, fast tempo negative valence, slow tempo positive valence, and slow tempo negative valence. A second group of 89 participants performed two blocks of the SART task interspersed with either no break or a rest break consisting of 1 of the 4 types of music or silence. Presenting positive valence music (particularly of slow tempo) during an intermission between two successive blocks of the SART significantly decreased miss rates relative to negative valence music or silence. Results support an attentional restoration theory of the impact of music on sustained attention, rather than arousal theory and demonstrate a means of restoring sustained attention. Further, the results establish the validity of a music database that will facilitate further investigations of the impact of music on performance.

Role of antisymmetric spin-orbit component in effective interactions in the sd-shell

International Nuclear Information System (INIS)

Yoshinada, K.

1981-10-01

The antisymmetric spin-orbit interaction (ALS) proposed for sd-shell nuclei is investigated. It is shown that the centroid energy of the d sub(5/2) - d sub(3/2) interactions plays a crucial role in reproducing the excited band spectra of A = 18 - 24 nuclei. An empirical effective interaction without ALS component is proposed to reproduce the observed spectra of light sd-shell nuclei. (author)

Moessbauer spectroscopic study on valence-detrapping and trapping of mixed-valence trinuclear iron (III, III, II) fluorine-substitute benzoate complexes

International Nuclear Information System (INIS)

Sakai, Y.; Onaka, S.; Ogiso, R.; Takayama, T.; Takahashi, M.; Nakamoto, T.

2012-01-01

Four mixed-valence trinuclear iron(III, III, II) fluorine-substituted benzoate complexes were synthesized; Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 ·CH 2 Cl 2 (1), Fe 3 O(C 6 F 5 COO) 6 (C 5 H 5 N) 3 (2), Fe 3 O(2H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (3), and Fe 3 O(4H-C 6 F 4 COO) 6 (C 5 H 5 N) 3 (4). By means of 57 Fe-Moessbauer spectroscopy, valence-detrapping and trapping phenomena have been investigated for the four mixed-valence complexes. The valence state of three iron ions is trapped at lower temperatures while it is fully detrapped at higher temperatures for 1. Valence detrapping is not observed for 2, 3, and 4 even at room temperature, although Moessbauer spectra for 3 and 4 show a complicated temperature dependence. (author)

Thermodynamics of excited nuclei and nuclear level densities

International Nuclear Information System (INIS)

Ramamurthy, V.S.

1977-01-01

A review has been made of the different approaches that are being used for a theoretical calculation of nuclear level densities. It is pointed out that while the numerical calculations based on the partition function approach and shell model single particle level schemes have shed important insight into the influence of nuclear shell effects on level densities and its excitation energy dependence and have brought out the inadequacy of the conventional Bethe Formula, these calculations are yet to reach a level where they can be directly used for quantitative comparisons. Some of the important drawbacks of the numerical calculations are also discussed. In this context, a new semi-empirical level density formula is described which while retaining the simplicity of analytical formulae, takes into account nuclear shell effects in a more realistic manner. (author)

On the shell model connection of the cluster model

International Nuclear Information System (INIS)

Cseh, J.; Levai, G.; Kato, K.

2000-01-01

Complete text of publication follows. The interrelation of basic nuclear structure models is a longstanding problem. The connection between the spherical shell model and the quadrupole collective model has been studied extensively, and symmetry considerations proved to be especially useful in this respect. A collective band was interpreted in the shell model language long ago as a set of states (of the valence nucleons) with a specific SU(3) symmetry. Furthermore, the energies of these rotational states are obtained to a good approximation as eigenvalues of an SU(3) dynamically symmetric shell model Hamiltonian. On the other hand the relation of the shell model and cluster model is less well explored. The connection of the harmonic oscillator (i.e. SU(3)) bases of the two approaches is known, but it was established only for the unrealistic harmonic oscillator interactions. Here we investigate the question: Can an SU(3) dynamically symmetric interaction provide a similar connection between the spherical shell model and the cluster model, like the one between the shell and collective models? In other words: whether or not the energy of the states of the cluster bands, defined by a specific SU(3) symmetries, can be obtained from a shell model Hamiltonian (with SU(3) dynamical symmetry). We carried out calculations within the framework of the semimicroscopic algebraic cluster model, in which not only the cluster model space is obtained from the full shell model space by an SU(3) symmetry-dictated truncation, but SU(3) dynamically symmetric interactions are also applied. Actually, Hamiltonians of this kind proved to be successful in describing the gross features of cluster states in a wide energy range. The novel feature of the present work is that we apply exclusively shell model interactions. The energies obtained from such a Hamiltonian for several bands of the ( 12 C, 14 C, 16 O, 20 Ne, 40 Ca) + α systems turn out to be in good agreement with the experimental

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

International Nuclear Information System (INIS)

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

2009-01-01

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

Determination of K shell absorption jump factors and jump ratios of 3d transition metals by measuring K shell fluorescence parameters

International Nuclear Information System (INIS)

Kaçal, Mustafa Recep; Han, İbrahim; Akman, Ferdi

2015-01-01

Energy dispersive X-ray fluorescence technique (EDXRF) has been employed for measuring K-shell absorption jump factors and jump ratios for Ti, Cr, Fe, Co, Ni and Cu elements. The jump factors and jump ratios for these elements were determined by measuring K shell fluorescence parameters such as the Kα X-ray production cross-sections, K shell fluorescence yields, Kβ-to-Kα X-rays intensity ratios, total atomic absorption cross sections and mass attenuation coefficients. The measurements were performed using a Cd-109 radioactive point source and an Si(Li) detector in direct excitation and transmission experimental geometry. The measured values for jump factors and jump ratios were compared with theoretically calculated and the ones available in the literature. - Highlights: • This work regard the K shell absorption jump ratios and jump factors of Ti, Cr, Fe, Co, Ni and Cu. • This paper presents the first measurement of these parameters using the experimental K shell fluorescence parameters. • A good agreement was found between experimental and theoretical values. • The EDXRF technique was suitable, precise and reliable for the measurement of these atomic parameters

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-...

Characterization of photo-induced valence tautomerism in a cobalt-dioxolene complex by ultrafast spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Beni, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bogani, L [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Bussotti, L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Dei, A [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy); Gentili, P L [LENS, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence (Italy); Righini, R [Dipartimento di Chimica, Universita di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino, Florence (Italy)

2005-01-01

The valence tautomerism of low-spin Co{sup III}(Cat-N-BQ)(Cat-N-SQ) was investigated by means of UV-vis pump-probe transient absorption spectroscopy in chloroform. By exciting the CT transition of the complex at 480 nm, an intramolecular electron transfer process is selectively triggered. The photo-induced charge transfer is pursued by a cascade of two main molecular events characterized by the ultrafast transient absorption spectroscopy: the first gives rise to the metastable high-spin Co{sup II}(Cat-N-BQ){sub 2} that, secondly, reaches the chemical equilibrium with the reactant species.

Experimental approach towards shell structure at 100Sn and 78Ni

International Nuclear Information System (INIS)

Grawe, H.; Gorska, M.; Fahlander, C.

2000-07-01

The status of experimental approach to 100 Sn and 78 Ni is reviewed. Revised single particle energies for neutrons are deduced for the N=Z=50 shell closure and evidence for low lying I π =2 + and 3 - states is presented. Moderate E2 polarisation charges of 0.1 e and 0.6 e are found to reproduce the experimental data when core excitation of 100 Sn is properly accounted for in the shell model. For the neutron rich Ni region no conclusive evidence for a N=40 subshell is found, whereas firm evidence for the persistence of the N=50 shell at 78 Ni is inferred from the existence of seniority isomers. The disappearance of this isomerism in the mid νg 9/2 shell is discussed. (orig.)

Multipole giant resonances of 12C nucleus electro excitation in intermediate coupling model

International Nuclear Information System (INIS)

Goncharova, N.G.; Zhivopistsev, F.A.

1977-01-01

Multipole giant resonances in 12 C electroexcitation are considered using the shell model with coupling. Cross sections are calculated for the states of 1 - , 2 - , 3 - , 4 - , at T=1. The distributions of the transverse form factor at transferred momenta equal to q approximately 0.75, 1.04, 1.22 and 1.56 Fm -1 and the longitudinal form factor for q = 0.75, 1.04, 1.56 Fm -1 are presented. For the excitation energies in the range from 18 to 28 MeV positive-parity states have a small contribution in the cross section. The distribution of the total form factor in the excitation energies is given. It is concluded that the multipole giant resonances of anomalous parity levels calculated within the interatomic-coupling shell model show a satisfactorily close agreement with the behavior of experimental form factors in the excitation energy range from 18 to 28 MeV

Phase-space exploration in nuclear giant resonance decay

International Nuclear Information System (INIS)

Drozdz, S.; Nishizaki, S.; Wambach, J.; Speth, J.

1995-01-01

The rate of phase-space exploration in the decay of isovector and isoscalar giant quadrupole resonances in 40 Ca is analyzed. The study is based on the time dependence of the survival probability and of the spectrum of generalized entropies evaluated in the space of one-particle--one-hole (1p-1h) and 2p-2h states. Three different cases for the level distribution of 2p-2h background states, corresponding to (a) high degeneracy, (b) classically regular motion, and (c) classically chaotic motion, are studied. In the latter case the isovector excitation evolves almost statistically while the isoscalar excitation remains largely localized, even though it penetrates the whole available phase space

Architectural Representation of Valence in the Limbic System

Science.gov (United States)

Namburi, Praneeth; Al-Hasani, Ream; Calhoon, Gwendolyn G; Bruchas, Michael R; Tye, Kay M

2016-01-01

In order to thrive, animals must be able to recognize aversive and appetitive stimuli within the environment and subsequently initiate appropriate behavioral responses. This assignment of positive or negative valence to a stimulus is a key feature of emotional processing, the neural substrates of which have been a topic of study for several decades. Until recently, the result of this work has been the identification of specific brain regions, such as the basolateral amygdala (BLA) and nucleus accumbens (NAc), as important to valence encoding. The advent of modern tools in neuroscience has allowed further dissection of these regions to identify specific populations of neurons signaling the valence of environmental stimuli. In this review, we focus upon recent work examining the mechanisms of valence encoding, and provide a model for the systematic investigation of valence within anatomically-, genetically-, and functionally defined populations of neurons. PMID:26647973

Excitation of giant resonances via charge exchange reactions

International Nuclear Information System (INIS)

Goodman, C.D.

1979-01-01

Charge-exchange reactions can be useful for identifying isovector resonances. At present the most promising use of charge-exchange reactions with respect to giant resonances is to locate and study Gamow-Teller (GT) resonances. Detailed comparisons between GT and M1 strengths can yield further structure information. 7 figures

On triangle meshes with valence dominant vertices

KAUST Repository

Morvan, Jean-Marie

2018-02-16

We study triangulations $\\\\cal T$ defined on a closed disc $X$ satisfying the following condition: In the interior of $X$, the valence of all vertices of $\\\\cal T$ except one of them (the irregular vertex) is $6$. By using a flat singular Riemannian metric adapted to $\\\\cal T$, we prove a uniqueness theorem when the valence of the irregular vertex is not a multiple of $6$. Moreover, for a given integer $k >1$, we exhibit non isomorphic triangulations on $X$ with the same boundary, and with a unique irregular vertex whose valence is $6k$.

On triangle meshes with valence dominant vertices

KAUST Repository

Morvan, Jean-Marie

2018-01-01

We study triangulations $\\cal T$ defined on a closed disc $X$ satisfying the following condition: In the interior of $X$, the valence of all vertices of $\\cal T$ except one of them (the irregular vertex) is $6$. By using a flat singular Riemannian metric adapted to $\\cal T$, we prove a uniqueness theorem when the valence of the irregular vertex is not a multiple of $6$. Moreover, for a given integer $k >1$, we exhibit non isomorphic triangulations on $X$ with the same boundary, and with a unique irregular vertex whose valence is $6k$.

Electronic and transport properties of Cobalt-based valence tautomeric molecules and polymers

Science.gov (United States)

Chen, Yifeng; Calzolari, Arrigo; Buongiorno Nardelli, Marco

2011-03-01

The advancement of molecular spintronics requires further understandings of the fundamental electronic structures and transport properties of prototypical spintronics molecules and polymers. Here we present a density functional based theoretical study of the electronic structures of Cobalt-based valence tautomeric molecules Co III (SQ)(Cat)L Co II (SQ)2 L and their polymers, where SQ refers to the semiquinone ligand, and Cat the catecholate ligand, while L is a redox innocent backbone ligand. The conversion from low-spin Co III ground state to high-spin Co II excited state is realized by imposing an on-site potential U on the Co atom and elongating the Co-N bond. Transport properties are subsequently calculated by extracting electronic Wannier functions from these systems and computing the charge transport in the ballistic regime using a Non-Equilibrium Green's Function (NEGF) approach. Our transport results show distinct charge transport properties between low-spin ground state and high-spin excited state, hence suggesting potential spintronics devices from these molecules and polymers such as spin valves.

Effect of perforation on the sound transmission through a double-walled cylindrical shell

Science.gov (United States)

Zhang, Qunlin; Mao, Yijun; Qi, Datong

2017-12-01

An analytical model is developed to study the sound transmission loss through a general double-walled cylindrical shell system with one or two walls perforated, which is excited by a plane wave in the presence of external mean flow. The shell motion is governed by the classical Donnell's thin shell theory, and the mean particle velocity model is employed to describe boundary conditions at interfaces between the shells and fluid media. In contrast to the conventional solid double-walled shell system, numerical results show that perforating the inner shell in the transmission side improves sound insulation performance over a wide frequency band, and removes fluctuation of sound transmission loss with frequency at mid-frequencies in the absence of external flow. Both the incidence and azimuthal angles have nearly negligible effect on the sound transmission loss over the low and middle frequency range when perforating the inner shell. Width of the frequency band with continuous sound transmission loss can be tuned by the perforation ratio.

Acoustic resonances in two-dimensional radial sonic crystal shells

Energy Technology Data Exchange (ETDEWEB)

Torrent, Daniel; Sanchez-Dehesa, Jose, E-mail: jsdehesa@upvnet.upv.e [Wave Phenomena Group, Departamento de Ingenieria Electronica, Universidad Politecnica de Valencia, C/Camino de Vera s.n., E-46022 Valencia (Spain)

2010-07-15

Radial sonic crystals (RSC) are fluidlike structures infinitely periodic along the radial direction that verify the Bloch theorem and are possible only if certain specially designed acoustic metamaterials with mass density anisotropy can be engineered (see Torrent and Sanchez-Dehesa 2009 Phys. Rev. Lett. 103 064301). A comprehensive analysis of two-dimensional (2D) RSC shells is reported here. A given shell is in fact a circular slab with a central cavity. These finite crystal structures contain Fabry-Perot-like resonances and modes strongly localized at the central cavity. Semi-analytical expressions are developed to obtain the quality factors of the different resonances, their symmetry features and their excitation properties. The results reported here are completely general and can be extended to equivalent 3D spherical shells and to their photonic counterparts.

High spin structure of {sup 35}Cl and the sd-fp shell gap

Energy Technology Data Exchange (ETDEWEB)

Kshetri, Ritesh [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Saha Sarkar, M. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India)]. E-mail: maitrayee.sahasarkar@saha.ac.in; Ray, Indrani [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Banerjee, P. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Sarkar, S. [Department of Physics, Bengal Engineering and Science University, Shibpur, Howrah 711103 (India); Raut, Rajarshi [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Goswami, A. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Chatterjee, J.M. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Chattopadhyay, S. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Datta Pramanik, U. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Mukherjee, A. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Dey, C.C. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Bhattacharya, S. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Dasmahapatra, B. [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Bhowal, Samit [Department of Physics, Surendranath Evening College, Kolkata 700009 (India); Gangopadhyay, G. [University of Calcutta, 92, Acharya Prafulla Chandra Road, Kolkata 700009 (India); Datta, P. [Anandamohan College, 102/1, Raja Rammohan Sarani, Kolkata 700009 (India); Jain, H.C. [Tata Institute of Fundamental Research, Mumbai 400005 (India); Bhowmik, R.K. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Muralithar, S.; Singh, R.P.; Kumar, R. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India)

2007-01-15

The high spin states of {sup 35}Cl have been studied by in-beam {gamma}-spectroscopy following the fusion-evaporation reaction {sup 12}C({sup 28}Si,{alpha}p){sup 35}Cl at E{sub lab}=70 and 88 MeV, using the Indian National Gamma (Clover) Array (INGA). Lifetimes of six new excited states have been estimated for the first time. To understand the underlying structure of the levels and transition mechanisms, experimental results have been compared with those from the large basis cross-shell shell model calculations. Involvement of orbitals from fp shell and squeezing of the sd-fp shell gap seem to be essential for reliable reproduction of high spin states.

Study of semiconductor valence plasmon line shapes via electron energy-loss spectroscopy in the transmission electron microscope

International Nuclear Information System (INIS)

Kundmann, M.K.

1988-11-01

Electron energy-loss spectra of the semiconductors Si, AlAs, GaAs, InAs, InP, and Ge are examined in detail in the regime of outer-shell and plasmon energy losses (0--100eV). Particular emphasis is placed on modeling and analyzing the shapes of the bulk valence plasmon lines. A line shape model based on early work by Froehlich is derived and compared to single-scattering probability distributions extracted from the measured spectra. Model and data are found to be in excellent agreement, thus pointing the way to systematic characterization of the plasmon component of EELS spectra. The model is applied to three separate investigations. 82 refs

Product state resolved excitation spectroscopy of He-, Ne-, and Ar-Br2 linear isomers: experiment and theory.

Science.gov (United States)

Pio, Jordan M; van der Veer, Wytze E; Bieler, Craig R; Janda, Kenneth C

2008-04-07

Valence excitation spectra for the linear isomers of He-, Ne-, and Ar-Br2 are reported and compared to a two-dimensional simulation using the currently available potential energy surfaces. Excitation spectra from the ground electronic state to the region of the inner turning point of the Rg-Br2 (B,nu') stretching coordinate are recorded while probing the asymptotic Br2 (B,nu') state. Each spectrum is a broad continuum extending over hundreds of wavenumbers, becoming broader and more blueshifted as the rare gas atom is changed from He to Ne to Ar. In the case of Ne-Br2, the threshold for producing the asymptotic product state reveals the X-state linear isomer bond energy to be 71+/-3 cm(-1). The qualitative agreement between experiment and theory shows that the spectra can be correctly regarded as revealing the one-atom solvent shifts and also provides new insight into the one-atom cage effect on the halogen vibrational relaxation. The measured spectra provide data to test future ab initio potential energy surfaces in the interaction of rare gas atoms with the halogen valence excited state.

Spectroscopy of 215Ra: the shell model and enhanced E3 transitions

International Nuclear Information System (INIS)

Stuchbery, A.E.; Dracoulis, G.D.; Kibedi, T.; Fabricius, B.; Lane, G.J.; Poletti, A.R.; Baxter, A.M.

1998-01-01

Excited states in the N=127 nucleus 215 Ra have been studied using γ-ray and electron spectroscopy following reactions of 13 C on 206 Pb targets. Levels were identified up to spins of ∝61/2 ℎ and excitation energies of ∝6 MeV. Enhanced octupole transitions are a feature of the level scheme. Lifetimes and magnetic moments were measured for several isomeric levels. The level scheme, transition rates and magnetic moments are compared with empirical shell model calculations and multiparticle octupole-coupled shell model calculations. In general, the experimental data are well described, but in comparison with its success in describing enhanced E3 transitions between related states in the radon isotopes, some limitations of the multiparticle octupole-coupling approach are revealed in 215 Ra. (orig.)

Nuclear structure of s-d shell nuclei: what is new?

International Nuclear Information System (INIS)

Shanmugam, G.

1995-01-01

In this paper the shape evolution of the even-even s-d shell nuclei with temperature and spin is studied using Landau theory of phase transitions. The most important thermal fluctuations are incorporated in this study. The ground state pairing is also included in the calculations. Both the summation and Strutinsky methods are used for extracting the Landau constants. Both yield qualitatively similar results. To conclude, Landau theory of phase transitions can be effectively and economically used to study the structure of excited s-d shell nuclei. 10 refs., 2 tabs., 8 figs

Social learning modulates the lateralization of emotional valence.

Science.gov (United States)

Shamay-Tsoory, Simone G; Lavidor, Michal; Aharon-Peretz, Judith

2008-08-01

Although neuropsychological studies of lateralization of emotion have emphasized valence (positive vs. negative) or type (basic vs. complex) dimensions, the interaction between the two dimensions has yet to be elucidated. The purpose of the current study was to test the hypothesis that recognition of basic emotions is processed preferentially by the right prefrontal cortex (PFC), whereas recognition of complex social emotions is processed preferentially by the left PFC. Experiment 1 assessed the ability of healthy controls and patients with right and left PFC lesions to recognize basic and complex emotions. Experiment 2 modeled the patient's data of Experiment 1 on healthy participants under lateralized displays of the emotional stimuli. Both experiments support the Type as well as the Valence Hypotheses. However, our findings indicate that the Valence Hypothesis holds for basic but less so for complex emotions. It is suggested that, since social learning overrules the basic preference of valence in the hemispheres, the processing of complex emotions in the hemispheres is less affected by valence.

Generalized theory of resonance excitation by sound scattering from an elastic spherical shell in a nonviscous fluid.

Science.gov (United States)

Mitri, Farid G

2012-08-01

This work presents the general theory of resonance scattering (GTRS) by an elastic spherical shell immersed in a nonviscous fluid and placed arbitrarily in an acoustic beam. The GTRS formulation is valid for a spherical shell of any size and material regardless of its location relative to the incident beam. It is shown here that the scattering coefficients derived for a spherical shell immersed in water and placed in an arbitrary beam equal those obtained for plane wave incidence. Numerical examples for an elastic shell placed in the field of acoustical Bessel beams of different types, namely, a zero-order Bessel beam and first-order Bessel vortex and trigonometric (nonvortex) beams are provided. The scattered pressure is expressed using a generalized partial-wave series expansion involving the beam-shape coefficients (BSCs), the scattering coefficients of the spherical shell, and the half-cone angle of the beam. The BSCs are evaluated using the numerical discrete spherical harmonics transform (DSHT). The far-field acoustic resonance scattering directivity diagrams are calculated for an albuminoidal shell immersed in water and filled with perfluoropropane gas, by subtracting an appropriate background from the total far-field form function. The properties related to the arbitrary scattering are analyzed and discussed. The results are of particular importance in acoustical scattering applications involving imaging and beam-forming for transducer design. Moreover, the GTRS method can be applied to investigate the scattering of any beam of arbitrary shape that satisfies the source-free Helmholtz equation, and the method can be readily adapted to viscoelastic spherical shells or spheres.

Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111) substrate

Science.gov (United States)

Sangeetha, P.; Jeganathan, K.; Ramakrishnan, V.

2013-06-01

The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE) on Si (111) substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E2 (high) and A1 (LO) phonon mode of InN core at 490 and 590 cm-1 respectively and E2 (high) phonon mode of GaN shell at 573 cm-1. The free carrier concentration of InN core is found to be low in the order ˜ 1016 cm-3 due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of ˜15 nm. The phonon-life time of core-shell nanowire structure is estimated to be ˜0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E2 (high) phonon mode of GaN shell at 573 cm-1 as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111 substrate

Directory of Open Access Journals (Sweden)

P. Sangeetha

2013-06-01

Full Text Available The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE on Si (111 substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E2 (high and A1 (LO phonon mode of InN core at 490 and 590 cm−1 respectively and E2 (high phonon mode of GaN shell at 573 cm−1. The free carrier concentration of InN core is found to be low in the order ∼ 1016 cm−3 due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of ∼15 nm. The phonon-life time of core-shell nanowire structure is estimated to be ∼0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E2 (high phonon mode of GaN shell at 573 cm−1 as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

Micro-Raman investigations of InN-GaN core-shell nanowires on Si (111) substrate

International Nuclear Information System (INIS)

Sangeetha, P.; Ramakrishnan, V.; Jeganathan, K.

2013-01-01

The electron-phonon interactions in InN-GaN core-shell nanowires grown by plasma assisted- molecular beam epitaxy (MBE) on Si (111) substrate have been analysed using micro-Raman spectroscopic technique with the excitation wavelength of 633, 488 and 325 nm. The Raman scattering at 633 nm reveals the characteristic E 2 (high) and A 1 (LO) phonon mode of InN core at 490 and 590 cm −1 respectively and E 2 (high) phonon mode of GaN shell at 573 cm −1 . The free carrier concentration of InN core is found to be low in the order ∼ 10 16 cm −3 due to the screening of charge carriers by thin GaN shell. Diameter of InN core evaluated using the spatial correlation model is consistent with the transmission electron microscopic measurement of ∼15 nm. The phonon-life time of core-shell nanowire structure is estimated to be ∼0.4 ps. The micro-Raman mapping and its corresponding localised spectra for 325 nm excitation exhibit intense E 2 (high) phonon mode of GaN shell at 573 cm −1 as the decrease of laser interaction length and the signal intensity is quenched at the voids due to high spacing of NWs.

No-Core Shell Model for A = 47 and A = 49

Energy Technology Data Exchange (ETDEWEB)

Vary, J P; Negoita, A G; Stoica, S

2006-11-13

We apply the no-core shell model to the nuclear structure of odd-mass nuclei straddling {sup 48}Ca. Starting with the NN interaction, that fits two-body scattering and bound state data, we evaluate the nuclear properties of A = 47 and A = 49 nuclei while preserving all the underlying symmetries. Due to model space limitations and the absence of three-body interactions, we incorporate phenomenological interaction terms determined by fits to A = 48 nuclei in a previous effort. Our modified Hamiltonian produces reasonable spectra for these odd-mass nuclei. In addition to the differences in single-particle basis states, the absence of a single-particle Hamiltonian in our no-core approach complicates comparisons with valence effective NN interactions. We focus on purely off-diagonal two-body matrix elements since they are not affected by ambiguities in the different roles for one-body potentials and we compare selected sets of fp-shell matrix elements of our initial and modified Hamiltonians in the harmonic oscillator basis with those of a recent model fp-shell interaction, the GXPF1 interaction of Honma et al. While some significant differences emerge from these comparisons, there is an overall reasonably good correlation between our off-diagonal matrix elements and those of GXPF1.

Coulomb excitation of the odd-odd isotopes {sup 106,108}In

Energy Technology Data Exchange (ETDEWEB)

Ekstroem, A.; Fahlander, C. [University of Lund, Physics Department, Box 118, Lund (Sweden); Cederkaell, J. [University of Lund, Physics Department, Box 118, Lund (Sweden); CERN, PH Department, Geneva 23 (Switzerland); Hjorth-Jensen, M.; Engeland, T. [University of Oslo, Physics Department and Center of Mathematics for Applications, Oslo (Norway); Blazhev, A.; Eberth, J.; Finke, F.; Reiter, P.; Warr, N.; Weisshaar, D. [University of Cologne, Institute of Nuclear Physics, Cologne (Germany); Butler, P.A.; Hurst, A.M. [University of Liverpool, Oliver Lodge Laboratory, Liverpool (United Kingdom); Davinson, T. [University of Edinburgh, Department of Physics and Astronomy, Edinburgh (United Kingdom); Goergen, A. [Service de Physique Nucleaire, CEA Saclay, Gif-sur-Yvette (France); Gorska, M. [Gesellschaft fuer Schwerionenforschung, Darmstadt (Germany); Ivanov, O.; Stefanescu, I. [Instituut voor Kern- en Stralingsfysica, K.U. Leuven (Belgium); Iwanicki, J. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); Koester, U. [CERN, PH Department, Geneva 23 (Switzerland); Institut Laue Langevin, Grenoble (France); Marsh, B.A. [University of Manchester, Department of Physics, Manchester (United Kingdom); CERN, AB Department, Geneva 23 (Switzerland); Mierzejewski, J. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); University of Warsaw, Institute of Experimental Physics, Warsaw (Poland); Siem, S. [University of Oslo, Department of Physics, Oslo (Norway); Sletten, G. [University of Copenhagen, Physics Department, Copenhagen (Denmark); Tveten, G.M. [CERN, PH Department, Geneva 23 (Switzerland); University of Oslo, Department of Physics, Oslo (Norway); Van de Walle, J. [CERN, PH Department, Geneva 23 (Switzerland); Instituut voor Kern- en Stralingsfysica, K.U. Leuven (Belgium); Voulot, D.; Wenander, F. [CERN, AB Department, Geneva 23 (Switzerland)

2010-06-15

The low-lying states in the odd-odd and unstable isotopes {sup 106,108}In have been Coulomb excited from the ground state and the first excited isomeric state at the REX-ISOLDE facility at CERN. With the additional data provided here the {pi}g{sub 9/2}{sup -1} x {nu}d{sub 5/2} and {pi}g{sub 9/2}{sup -1} x {nu} g{sub 7/2} multiplets have been re-analyzed and are modified compared to previous results. The observed {gamma} -ray de-excitation patterns were interpreted within a shell model calculation based on a realistic effective interaction. The agreement between theory and experiment is satisfactory and the calculations reproduce the observed differences in the excitation pattern of the two isotopes. The calculations exclude a 6{sup +} ground state in {sup 106}In. This is in agreement with the conclusions drawn using other techniques. Furthermore, based on the experimental results, it is also concluded that the ordering of the isomeric and ground state in {sup 108}In is inverted compared to the shell model prediction. Limits on B(E2) values have been extracted where possible. A previously unknown low-lying state at 367keV in {sup 106}In is also reported. (orig.)

Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods

Energy Technology Data Exchange (ETDEWEB)

Limão-Vieira, P., E-mail: plimaovieira@fct.unl.pt; Ferreira da Silva, F.; Lange, E. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica (Portugal); Duflot, D. [Univ. Lille, UMR 8523–Physique des Lasers Atomes et Molécules, F-59000 Lille (France); CNRS, UMR 8523, F-59000 Lille (France); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Śmiałek, M. A. [Department of Control and Power Engineering, Faculty of Ocean Engineering and Ship Technology, Gdańsk University of Technology, Gabriela Narutowicza 11/12, 80-233 Gdańsk (Poland); Department of Physical Sciences, The Open University, Walton Hall, MK7 6AA Milton Keynes (United Kingdom); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Brunger, M. J. [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)

2016-07-21

We present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double excitations level. These have been used in the assignment of valence and Rydberg transitions of the phenol molecule. The VUV spectrum reveals several new features not previously reported in the literature, with particular reference to the 6.401 eV transition, which is here assigned to the 3sσ/σ{sup ∗}(OH)←3π(3a″) transition. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of phenol in the earth’s atmosphere (0–50 km).

Excitation mechanisms of Er optical centers in GaN epilayers

International Nuclear Information System (INIS)

George, D. K.; Hawkins, M. D.; McLaren, M.; Vinh, N. Q.; Jiang, H. X.; Lin, J. Y.; Zavada, J. M.

2015-01-01

We report direct evidence of two mechanisms responsible for the excitation of optically active Er 3+ ions in GaN epilayers grown by metal-organic chemical vapor deposition. These mechanisms, resonant excitation via the higher-lying inner 4f shell transitions and band-to-band excitation of the semiconductor host, lead to narrow emission lines from isolated and the defect-related Er optical centers. However, these centers have different photoluminescence spectra, local defect environments, decay dynamics, and excitation cross sections. The photoluminescence at 1.54 μm from the isolated Er optical center which can be excited by either mechanism has the same decay dynamics, but possesses a much higher excitation cross-section under band-to-band excitation. In contrast, the photoluminescence at 1.54 μm from the defect-related Er optical center can only be observed through band-to-band excitation but has the largest excitation cross-section. These results explain the difficulty in achieving gain in Er doped GaN and indicate approaches for realization of optical amplification, and possibly lasing, at room temperature

Valence nucleons in self-consistent fields

International Nuclear Information System (INIS)

Di Toro, M.; Lomnitz-Adler, J.

1978-01-01

An iterative approach to determine directly the best Hartree-Fock one-body density rho is extended by expressing rho in terms of a core and a valence part and allowing for general crossings of occupied and unoccupied levels in the valence part. Results are shown for 152 Sm and a microscopic analysis of the core structure of deformed light nuclei is carried out. (author)

Excited bands in even-even rare-earth nuclei

International Nuclear Information System (INIS)

Vargas, Carlos E.; Hirsch, Jorge G.

2004-01-01

The energetics of states belonging to normal parity bands in even-even dysprosium isotopes, and their B(E2) transition strengths, are studied using an extended pseudo-SU(3) shell model. States with pseudospin 1 are added to the standard pseudospin 0 space, allowing for a proper description of known excited normal parity bands

Dissociative photoionization of IBr following I(4d) and Br(3d) inner-shell excitations in the range of 60 ∼ 133 eV: remarkable biased charge spread relevant to the core-hole states

International Nuclear Information System (INIS)

Boo, Bong Hyun; Koyano, Inosuke

2002-01-01

Dissociative photoionization of an interhalogen molecule, iodine monobromide (IBr), spanning the I(4d) and the Br(3d) inner-shell excitation/ionization regions has been studied by using time-of-flight (TOF) mass spectrometry coupled to synchrotron radiation in the range of 60 ∼ 133 eV. The total and the individual photoion yields have been recorded as functions of the photon energy. Here, a giant shape resonance has been observed owing to the I(4d 10 ) →I(4d 9 εf) transition, the transition probability for which outweighs that for the Br(3d 10 ) →Br(3d 9 εf) excitation. In addition to the huge resonance, discrete resonances owing to the Br(3d) -1 IBr(4pσ + ) and the Br(3d -1 )Br(5p) transitions, with very weak intensities, are observed at 70.5 and 73.6 eV and have spin-orbit splittings of = 1.0 and = 0.9 eV, respectively. The dissociation processes of singly and doubly charged parent ions have also been evaluated from the variations of the individual ion and photoion-photoion coincidence (PIPICO) yields with the photon energy. Below the Br(3d) threshold, including the Br(3d) discrete excitation region, 60 + and I 2+ ions are exclusively formed with a trace number of Br + ions. Slightly above the Br(3d) threshold, more specifically at 77.5 eV, however, photoionization events leading to the formations of Br + and Br 2- prevail. At higher energies beyond the Br(3d) threshold, 78 + and I 2+ turn out to exceed again those for Br + and Br 2+ , respectively. Over the entire energy range examined, a remarkable biased charge spread in dissociative photoionization events is observed, presumably reflecting the fact that charge localized mostly in the excited atoms relevant to the specific inner-shell excitation, which can be accounted for mainly by a two-step decay process via a fast dissociation followed by autoionization upon vuv absorption

X-ray core states, atomic size and Moseley's law

International Nuclear Information System (INIS)

Smith, D.Y.; Karstens, William

2000-01-01

Vinti's dipolar sum-rule for the spatial extent of quantum states was tested on atomic K-shell and ns valence states. Agreement between radii derived from absorption spectra and from atomic-structure calculations is excellent, provided Pauli-principle-prohibited transitions are accounted for. These many-electron corrections to the single-electron sum-rule contributed less than 20% to the radii, which supports application of single-electron rules to electron-excess defects as a first approximation. We found the oscillator strength for K-shell excitations decreases rapidly with atomic number because of strength transfer to higher-lying p states. Hence, K-shell contributions to radiation damage decrease with increasing atomic number. A new interpretation of Moseley's law for the X-ray K edge in terms of K-shell radii is described

Experimental status of the nuclear spin scissors mode

Science.gov (United States)

Balbutsev, E. B.; Molodtsova, I. V.; Schuck, P.

2018-04-01

With the Wigner function moments (WFM) method the scissors mode of the actinides and rare earth nuclei are investigated. The unexplained experimental fact that in 232Th a double hump structure is found finds a natural explanation within WFM. It is predicted that the lower peak corresponds to an isovector spin scissors mode whereas the higher-lying states corresponds to the conventional isovector orbital scissors mode. The experimental situation is scrutinized in this respect concerning practically all results of M 1 excitations.

Fission mass yields of excited medium heavy nuclei

International Nuclear Information System (INIS)

Sandulescu, A.; Depta, K.; Herrmann, R.; Greiner, W.; Scheid, W.

1985-01-01

The mass distributions resulting from the fission of excited medium mass nuclei are discussed on the basis of the fragmentation theory. It is shown that very asymmetric fission events can be expected with rates which are only a few orders of magnitude smaller than the rates for symmetric fission. As an example a calculation of the fission mass distribution of the excited 172 Yb compound nucleus is presented. This mass distribution reveals observable structures over the entire range of the mass asymmetry due to valleys in the potential energy surface for fission fragments with closed proton and neutron shells

Generation of L sub-shell photo-ionization cross-sections for elements 18Z92 at energies .320-115.606 keV (A computer program 'LSPICS')

International Nuclear Information System (INIS)

Sharma, Ajay; Mittal, Raj

2005-01-01

L sub-shell photo-ionization cross-sections, σ Li , for elements 18Z92 at energies .320-115.606 keV have been generated from an empirical relation fitted to Scofield's L sub-shell photo-ionization cross-section values. The excitation energy E for an element is constrained by the condition that only L and higher shell vacancies are produced in the elements. The closeness of generated and existing values of Scofield's L sub-shell data recommends the use of generated values in the fields of atomic and molecular physics and for trace elemental analysis. For this purpose computer software 'LSPICS' has been developed. On personal computer LSPICS generates L sub-shell photo-ionization cross-section values in barns just by entering the atomic number of element and excitation photon energy in keV

Regional Differences in Striatal Neuronal Ensemble Excitability Following Cocaine and Extinction Memory Retrieval in Fos-GFP Mice.

Science.gov (United States)

Ziminski, Joseph J; Sieburg, Meike C; Margetts-Smith, Gabriella; Crombag, Hans S; Koya, Eisuke

2018-03-01

Learned associations between drugs of abuse and the drug administration environment have an important role in addiction. In rodents, exposure to a drug-associated environment elicits conditioned psychomotor activation, which may be weakened following extinction (EXT) learning. Although widespread drug-induced changes in neuronal excitability have been observed, little is known about specific changes within neuronal ensembles activated during the recall of drug-environment associations. Using a cocaine-conditioned locomotion (CL) procedure, the present study assessed the excitability of neuronal ensembles in the nucleus accumbens core and shell (NAc core and NAc shell ), and dorsal striatum (DS) following cocaine conditioning and EXT in Fos-GFP mice that express green fluorescent protein (GFP) in activated neurons (GFP+). During conditioning, mice received repeated cocaine injections (20 mg/kg) paired with a locomotor activity chamber (Paired) or home cage (Unpaired). Seven to 13 days later, both groups were re-exposed to the activity chamber under drug-free conditions and Paired, but not Unpaired, mice exhibited CL. In a separate group of mice, CL was extinguished by repeatedly exposing mice to the activity chamber under drug-free conditions. Following the expression and EXT of CL, GFP+ neurons in the NAc core (but not NAc shell and DS) displayed greater firing capacity compared to surrounding GFP- neurons. This difference in excitability was due to a generalized decrease in GFP- excitability following CL and a selective increase in GFP+ excitability following its EXT. These results suggest a role for both widespread and ensemble-specific changes in neuronal excitability following recall of drug-environment associations.

Deformed intruders and the onset of deformation at N=20 far from stability

International Nuclear Information System (INIS)

Poves, A.; Retamosa, J.

1991-01-01

Intruder states, built up of 2p-2h excitations are shown to exhibit rotational features. The combined effects of the reduction of the energy gap between major shells occurring far from stability, and the correlation energy of the valence nucleons, make the intruders dominant in the low energy spectrum of several nuclei. Many experimental puzzles may be solved in this way. (G.P.) 17 refs.; 10 figs

Theory for the mixed-valence state

International Nuclear Information System (INIS)

Varma, C.M.

1979-01-01

A theory is presented which explains why mixed-valence compounds behave as two component Fermi liquids, and why TmSe orders magnetically while the other known mixed-valence compounds do not. The variation of Tsub(N) and the field Hsub(T) to obtain ferromagnetic alignment with changing Tm 2+ /Tm 3+ ratio is quantitatively explained. For Tm 2+ concentration > = 0.3, TmSe is predicted to order ferromagnetically

Type II shell evolution in A=70 isobars from the N≥40 island of inversion

Directory of Open Access Journals (Sweden)

A.I. Morales

2017-02-01

Full Text Available The level structures of 70Co and 70Ni, populated from the β decay of 70Fe, have been investigated using β-delayed γ-ray spectroscopy following in-flight fission of a 238U beam. The experimental results are compared to Monte-Carlo Shell-Model calculations including the pf+g9/2+d5/2 orbitals. The strong population of a (1+ state at 274 keV in 70Co is at variance with the expected excitation energy of ∼1 MeV from near spherical single-particle estimates. This observation indicates a dominance of prolate-deformed intruder configurations in the low-lying levels, which coexist with the normal near spherical states. It is shown that the β decay of the neutron-rich A=70 isobars from the new island of inversion to the Z=28 closed-shell regime progresses in accordance with a newly reported type of shell evolution, the so-called Type II, which involves many particle-hole excitations across energy gaps.

Water Dynamics in the Hydration Shells of Biomolecules

Science.gov (United States)

2017-01-01

The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of hydrating water molecules cover a broad range in space and time, from individual water molecules to larger pools and from femtosecond to microsecond time scales. Recent progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation. Here, we review recent advances in both theory and experiment, focusing on hydrated DNA, proteins, and phospholipids, and compare dynamics in the hydration shells to bulk water. PMID:28248491

A model for acoustic vaporization dynamics of a bubble/droplet system encapsulated within a hyperelastic shell.

Science.gov (United States)

Lacour, Thomas; Guédra, Matthieu; Valier-Brasier, Tony; Coulouvrat, François

2018-01-01

Nanodroplets have great, promising medical applications such as contrast imaging, embolotherapy, or targeted drug delivery. Their functions can be mechanically activated by means of focused ultrasound inducing a phase change of the inner liquid known as the acoustic droplet vaporization (ADV) process. In this context, a four-phases (vapor + liquid + shell + surrounding environment) model of ADV is proposed. Attention is especially devoted to the mechanical properties of the encapsulating shell, incorporating the well-known strain-softening behavior of Mooney-Rivlin material adapted to very large deformations of soft, nearly incompressible materials. Various responses to ultrasound excitation are illustrated, depending on linear and nonlinear mechanical shell properties and acoustical excitation parameters. Different classes of ADV outcomes are exhibited, and a relevant threshold ensuring complete vaporization of the inner liquid layer is defined. The dependence of this threshold with acoustical, geometrical, and mechanical parameters is also provided.

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.

Study of Neutron-Rich $^{124,126,128}$Cd Isotopes; Excursion from Symmetries to Shell-Model Picture

CERN Multimedia

Nieminen, A M; Reponen, M

2002-01-01

A short outline is given on a number of topics that are present in the long series of even-even Cd nuclei and therefore, may turn out to constitute an ideal test bench in order to verify a number of theoretical ideas on how collective motion, near closed shells, builds up taking into account both the valence and core nucleons when studying the nucleon correlations. Moreover, these experiments can reveal new challenges when moving towards very neutron-rich systems.

Enhancement of single particle rare earth doped NaYF4: Yb, Er emission with a gold shell

International Nuclear Information System (INIS)

Li, Ling; Green, Kory; Hallen, Hans; Lim, Shuang Fang

2015-01-01

Upconversion of infrared light to visible light has important implications for bioimaging. However, the small absorption cross-section of rare earth dopants has limited the efficiency of these anti-Stokes nanomaterials. We present enhanced excitation absorption and single particle fluorescent emission of sodium yttrium fluoride, NaYF 4 : Yb, Er based upconverting nanoparticles coated with a gold nanoshell through surface plasmon resonance. The single gold-shell coated nanoparticles show enhanced absorption in the near infrared, enhanced total emission intensity, and increased green relative to red emission. We also show differences in enhancement between single and aggregated gold shell nanoparticles. The surface plasmon resonance of the gold-shell coated nanoparticle is shown to be dependent on the shell thickness. In contrast to other reported results, our single particle experimental observations are corroborated by finite element calculations that show where the green/red emission enhancement occurs, and what portion of the enhancement is due to electromagnetic effects. We find that the excitation enhancement and green/red emission ratio enhancement occurs at the corners and edges of the doped emissive core. (paper)

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.

Probing Transient Valence Orbital Changes with Picosecond Valence-to-Core X-ray Emission Spectroscopy

DEFF Research Database (Denmark)

March, Anne Marie; Assefa, Tadesse A.; Boemer, Christina

2017-01-01

We probe the dynamics of valence electrons in photoexcited [Fe(terpy)2]2+ in solution to gain deeper insight into the Fe ligand bond changes. We use hard X-ray emission spectroscopy (XES), which combines element specificity and high penetration with sensitivity to orbital structure, making...... valence orbitals to the nascent core-hole. Vtc-XES offers particular insight into the molecular orbitals directly involved in the light-driven dynamics; a change in the metal ligand orbital overlap results in an intensity reduction and a blue energy shift in agreement with our theoretical calculations...... and more subtle features at the highest energies reflect changes in the frontier orbital populations....

Coulomb excitation of {sup 123}Cd

Energy Technology Data Exchange (ETDEWEB)

Hartig, Anna-Lena; Kroell, Thorsten; Ilieva, Stoyanka; Boenig, Sabine; Thuerauf, Michael [IKP, TU Darmstadt (Germany); Simpson, Gary; Drouet, Floriane; Ramdhane, Mourad [LPSC, Grenoble (France); Georgiev, Georgi [CSNSM, Orsay (France); Kesteloot, Nele; Wrzosek-Lipska, Kasia [KU, Leuven (Belgium); Jungclaus, Andrea; Illana Sison, Andres [CSIC, Madrid (Spain); Balabanski, Dimiter [INRNE-BAS, Sofia (Bulgaria); Warr, Nigel [Koeln Univ. (Germany). IKP; Voulot, Didier; Wenander, Fredrik; Marsh, Bruce [CERN, Geneva (Switzerland)

2013-07-01

On the neutron-rich side of the valley of stability in the vicinity of the double magic nucleus {sup 132}Sn one can find the {sup 123}Cd isotope. Surprisingly the neutron-rich even-A Cd isotopes in this region are showing signs of collectivity beyond that calculated by modern shell-model predictions. In order to gain a deeper insight in this phenomenon we started to extend these studies to odd-A Cd isotopes. As first isotope the exotic nucleus {sup 123}Cd was produced for safe Coulomb excitation by the ISOLDE facility at CERN and post-accelerated by REX-ISOLDE. The γ-decay from excited states was detected with the MINIBALL array. A report on the status of the ongoing analysis is given.

Calculations of coincident ionization plus excitation

International Nuclear Information System (INIS)

Becker, R.L.

1986-01-01

For Li- and Be-like ions, K x-ray yields, together with detection that the ionic charge has increased, give the cross section for ionization plus excitation (IE), a process which can exhibit electron-electron correlations. Measurements of IE for 14 Si 11+ + He stimulated our coupled-channels calculations in the independent-Fermi-particle model (IFPM), which includes Pauli correlations. We discuss how the IFPM expressions, generalized here to include an open shell, differ from those for distinguishable electrons. The sensitivity of σ/sub IE/ to correlations is shown. Recent additional measurements and future ones giving excitation functions for resolved configurations and complementary Auger data will provide even more sensitive tests of collisional correlation theory. 15 refs., 3 figs., 1 tab

Does intrinsic motivation enhance motor cortex excitability?

Science.gov (United States)

Radel, Rémi; Pjevac, Dusan; Davranche, Karen; d'Arripe-Longueville, Fabienne; Colson, Serge S; Lapole, Thomas; Gruet, Mathieu

2016-11-01

Intrinsic motivation (IM) is often viewed as a spontaneous tendency for action. Recent behavioral and neuroimaging evidence indicate that IM, in comparison to extrinsic motivation (EM), solicits the motor system. Accordingly, we tested whether IM leads to greater excitability of the motor cortex than EM. To test this hypothesis, we used two different tasks to induce the motivational orientation using either words representing each motivational orientation or pictures previously linked to each motivational orientation through associative learning. Single-pulse transcranial magnetic stimulation over the motor cortex was applied when viewing the stimuli. Electromyographic activity was recorded on the contracted first dorsal interosseous muscle. Two indexes of corticospinal excitability (the amplitude of motor-evoked potential and the length of cortical silent period) were obtained through unbiased automatic detection and analyzed using a mixed model that provided both statistical power and a high level of control over all important individual, task, and stimuli characteristics. Across the two tasks and the two indices of corticospinal excitability, the exposure to IM-related stimuli did not lead to a greater corticospinal excitability than EM-related stimuli or than stimuli with no motivational valence (ps > .20). While these results tend to dismiss the advantage of IM at activating the motor cortex, we suggest alternative hypotheses to explain this lack of effect, which deserves further research. © 2016 Society for Psychophysiological Research.

Measurement of relative intensities of L-shell x-rays in some high-Z elements

Energy Technology Data Exchange (ETDEWEB)

Kumar, S; Mittal, R; Allawadhi, K L; Sood, B S [Punjabi Univ., Patiala (India). Nuclear Science Labs.

1982-10-14

The L-shell x-ray relative intensities I(Lsub(..cap alpha..))/I(Lsub(l)),I(Lsub(..cap alpha..))/I(Lsub(..beta..)) and I(Lsub(..cap alpha..))/I(Lsub(..gamma..)) for U, Th, Pb and ratios I(Lsub(..cap alpha..+l))/I(Lsub(..beta..)) and I(Lsub(..cap alpha..+l))/I(Lsub(..gamma..)) for W have been measured. The L-shell electrons are excited by 59.57 keV gamma rays from /sup 241/Am and the fluorescent L-shell x-ray intensities are measured with a Si(Li) detector. The experimental results are found to agree well with theory.

Single photon simultaneous K-shell ionization and K-shell excitation. II. Specificities of hollow nitrogen molecular ions

International Nuclear Information System (INIS)

Carniato, S.; Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Žitnik, M.; Bučar, K.; Nakano, M.; Hikosaka, Y.; Ito, K.