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.

Excitation-energy influence at the scission configuration

Directory of Open Access Journals (Sweden)

Ramos D.

2017-01-01

Full Text Available Transfer- and fusion-induced fission in inverse kinematics was proven to be a powerful tool to investigate nuclear fission, widening the information of the fission fragments and the access to unstable fissioning systems with respect to other experimental approaches. An experimental campaign for fission investigation has being carried out at GANIL with this technique since 2008. In these experiments, a beam of 238U, accelerated to 6.1 MeV/u, impinges on a 12C target. Fissioning systems from U to Cf are populated through transfer and fusion reactions, with excitation energies that range from few MeV up to 46 MeV. The use of inverse kinematics, the SPIDER telescope, and the VAMOS spectrometer permitted the characterization of the fissioning system in terms of mass, nuclear charge, and excitation energy, and the isotopic identification of the full fragment distribution. The neutron excess, the total neutron multiplicity, and the even-odd staggering in the nuclear charge of fission fragments are presented as a function of the excitation energy of the fissioning system. Structure effects are observed at Z∼50 and Z∼55, where their impact evolves with the excitation energy.

Systematics of the level density parameters

International Nuclear Information System (INIS)

Ignatyuk, A.V.; Istekov, K.K.; Smirenkin, G.N.

1977-01-01

The excitation energy dependence of nucleus energy-level density is phenomenologically systematized in terms of the Fermi gas model. The analysis has been conducted in the atomic mass number range of A(>=)150, where the collective effects are mostly pronounced. The density parameter a(U) is obtained using data on neutron resonances. To depict energy spectra of nuclear states in the Fermi gas model (1) the contributions from collective rotational and vibrational modes (2), as well as from pair correlations (3) are also taken into account. It is shown, that at excitation energies close to the neutron binding energy all three systematics of a(U) yield practically the same energy-level densities. At high energies only the (2) and (3) systematics are valid, and at energies lower than the neutron binding energy only the last systematics will be adequate

Integrated light in direct excitation and energy transfer luminescence

OpenAIRE

Chimczak, Eugeniusz

2007-01-01

Integrated light in direct excitation and energy transfer luminescence has been investigated. In the investigations reported here, monomolecular centers were taken into account. It was found that the integrated light is equal to the product of generation rate and time of duration of excitation pulse for both direct excitation and energy transfer luminescence.

Energy dependence of the ionization of highly excited atoms by collisions with excited atoms

International Nuclear Information System (INIS)

Shirai, T.; Nakai, Y.; Nakamura, H.

1979-01-01

Approximate analytical expressions are derived for the ionization cross sections in the high- and low-collision-energy limits using the improved impulse approximation based on the assumption that the electron-atom inelastic-scattering amplitude is a function only of the momentum transfer. Both cases of simultaneous excitation and de-excitation of one of the atoms are discussed. The formulas are applied to the collisions between two excited hydrogen atoms and are found very useful for estimating the cross sections in the wide range of collisions energies

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

Science.gov (United States)

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

2017-12-21

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

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-12-28

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

Vibrational excitation of D2 by low energy electrons

International Nuclear Information System (INIS)

Buckman, S.J.; Phelps, A.V.

1985-01-01

Excitation coefficients for the production of vibrationally exicted D 2 by low energy electrons have been determined from measurements of the intensity of infrared emission from mixtures of D 2 and small concentrations of CO 2 or CO. The measurements were made using the electron drift tube technique and covered electric field to gas density ratios (E/n) from (5 to 80) x 10 -21 V m 2 , corresponding to mean electron energies between 0.45 and 4.5 eV. The CO 2 and CO concentrations were chosen to allow efficient excitation transfer from the D 2 to the carbon containing molecule, but to minimize direct excitation of the CO 2 or CO. The measured infrared intensities were normalized to predicted values for N 2 --CO 2 and N 2 --CO mixtures at E/n where the efficiency of vibrational excitation is known to be very close to 100%. The experimental excitation coefficients are in satisfactory agreement with predictions based on electron--D 2 cross sections at mean electron energies below 1 eV, but are about 50% too high at mean energies above about 2 eV. Application of the technique to H 2 did not yield useful vibrational excitation coefficients. The effective coefficients in H 2 --CO 2 mixtures were a factor of about 3 times the predicted values. For our H 2 --CO mixtures the excitation of CO via excitation transfer from H 2 is small compared to direct electron excitation of CO molecules. Published experiments and theories on electron--H 2 and electron--D 2 collisions are reviewed to obtain the cross sections used in the predictions

Mean excitation energies for use in Bethe's stopping-power formula

International Nuclear Information System (INIS)

Berger, M.J.; Seltzer, S.M.

1983-01-01

A review has been made of the mean excitation energies that can be derived from the analysis of stopping-power and range measurements, and from semi-empirical dipole oscillator-strength distributions for gases and dielectric-response functions for solids. On the basis of this review, mean excitation energies have been selected for 43 elemental substances and 54 compounds. Additivity rules have also been considered which allow one to estimate the mean excitation energies for compounds for which no direct data are available. These additivity rules are based on the use of mean excitation energies for atomic constituents which, to a certain extent, take into account the effects of chemical binding and physical aggregation

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

International Nuclear Information System (INIS)

Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

2014-01-01

A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

Systematic studies for medium-heavy even-even nuclei

International Nuclear Information System (INIS)

Chen, Y.; Zhao, Y.M.; Chen, J.Q.

1995-01-01

The systematics for the excitation energies of the ground, β, and γ bands are presented using the empirical total np interaction V NP . Some regularities found in the previous studies are tested by the systematics in the V NP schemes. The systematics of the β and γ bands are presented in detail. Elegant regularities are observed for the excitation energies. The correlation phenomenon of the general behavior among different bands within each major shell is pointed out

On the determination of the mean excitation energy of water

DEFF Research Database (Denmark)

Sabin, John R.; Oddershede, Jens; Sauer, Stephan P. A.

2013-01-01

Water is a ubiquitous substance in nature, and thus the mean excitation energy of water is an important quantity for understanding and prediction of the details of many fast ion/molecule collision processes such as those involved in external beam radiotherapy of tumors. There are several methods...... for determining numerical values for a mean excitation energy for water, both theoretical and experimental. Here the factors affecting the determination of the value of the mean excitation energy of water, especially from experiment, are discussed....

High energy excitations in itinerant ferromagnets

International Nuclear Information System (INIS)

Prange, R.E.

1984-01-01

Itinerant magnets, those whose electrons move throughout the crystal, are described by band theory. Single particle excitations offer confirmation of band theory, but their description requires important corrections. The energetics of magnetism in iron and nickel is also described in band theory but requires complex bands. Magnetism above the critical temperature and the location of the critical temperature offer discriminants between the two major models of magnetism at high temperature and can be addressed by high energy excitations

A scalable piezoelectric impulse-excited energy harvester for human body excitation

International Nuclear Information System (INIS)

Pillatsch, P; Yeatman, E M; Holmes, A S

2012-01-01

Harvesting energy from low-frequency and non-harmonic excitations typical of human motion presents specific challenges. While resonant devices do have an advantage in environments where the excitation frequency is constant, and while they can make use of the entire proof mass travel range in the case of excitation amplitudes that are smaller than the internal displacement limit, they are not suitable for body applications since the frequencies are random and the amplitudes tend to be larger than the device size. In this paper a piezoelectric, impulse-excited approach is presented. A cylindrical proof mass actuates an array of piezoelectric bi-morph beams through magnetic attraction. After the initial excitation these transducers are left to vibrate at their natural frequency. This increases the operational frequency range as well as the electromechanical coupling. The principle of impulse excitation is discussed and a centimetre-scale functional model is introduced as a proof of concept. The obtained data show the influence of varying the frequency, acceleration and proof mass. Finally, a commercially available integrated circuit for voltage regulation is tested. At a frequency of 2 Hz and an acceleration of 2.7 m s −2 a maximal power output of 2.1 mW was achieved. (paper)

Range-separated density-functional theory for molecular excitation energies

International Nuclear Information System (INIS)

Rebolini, E.

2014-01-01

Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green's function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations. (author)

Dependence of the giant dipole strength function on excitation energy

International Nuclear Information System (INIS)

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

1982-01-01

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

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

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

Science.gov (United States)

Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

2011-04-15

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

Glass-like, low-energy excitations in neutron-irradiated quartz

International Nuclear Information System (INIS)

Gardner, J.W.

1980-01-01

The specific heat and thermal conductivity of neutron-irradiated crystalline quartz have been measured for temperatures approx. = 0.1 to 5 K. Four types of low-energy excitations are observed in the irradiated samples, two of which can be removed selectively by heat treatment. One set of remaining excitations gives rise to low-temperature thermal behavior characteristic of glassy (amorphous) solids. The density of these glass-like excitations can be 50% the density observed in vitreous silica, yet the sample still retains long-range atomic order. In a less-irradiated sample, glass-like excitations may be present with a density only approx. = 2.5% that observed in vitreous silica and possess a similar broad energy spectrum over 0.1 to 1 K

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

Science.gov (United States)

Kowalski, Karol

2009-05-21

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

Design and development of a parametrically excited nonlinear energy harvester

International Nuclear Information System (INIS)

Yildirim, Tanju; Ghayesh, Mergen H.; Li, Weihua; Alici, Gursel

2016-01-01

Highlights: • A parametrically broadband energy harvester was fabricated. • Strong softening-type nonlinear behaviour was observed. • Experiments were conducted showing the large bandwidth of the device. - Abstract: An energy harvester has been designed, fabricated and tested based on the nonlinear dynamical response of a parametrically excited clamped-clamped beam with a central point-mass; magnets have been used as the central point-mass which pass through a coil when parametrically excited. Experiments have been conducted for the energy harvester when the system is excited (i) harmonically near the primary resonance; (ii) harmonically near the principal parametric resonance; (iii) by means of a non-smooth periodic excitation. An electrodynamic shaker was used to parametrically excite the system and the corresponding displacement of the magnet and output voltages of the coil were measured. It has been shown that the system displays linear behaviour at the primary resonance; however, at the principal parametric resonance, the motion characteristic of the magnet substantially changed displaying a strong softening-type nonlinearity. Theoretical simulations have also been conducted in order to verify the experimental results; the comparison between theory and experiment were within very good agreement of each other. The energy harvester developed in this paper is capable of harvesting energy close to the primary resonance as well as the principal parametric resonance; the frequency-band has been broadened significantly mainly due to the nonlinear effects as well as the parametric excitation.

Multi-step intramolecular excitation energy transfer in dendritic pyrene-phosphorus(V)porphyrin heptads

Energy Technology Data Exchange (ETDEWEB)

Hirakawa, Kazutaka, E-mail: hirakawa.kazutaka@shizuoka.ac.jp [Applied Chemistry and Biochemical Engineering Course, Department of Engineering, Graduate School of Integrated Science and Technology, Shizuoka University, Johoku 3-5-1, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Department of Optoelectronics and Nanostructure Science, Graduate School of Science and Technology, Shizuoka University, Johoku 3-5-1, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Segawa, Hiroshi [Department of Multi-Disciplinary Science - General Systems Studies, Graduate School of Arts and Sciences, The University of Tokyo, Komaba 3-8-1, Meguro-ku, Tokyo 153-8904 (Japan); Research Center for Advanced Science and Technology, The University of Tokyo, Komaba 4-6-1, Meguro-ku, Tokyo 153-8904 (Japan)

2016-11-15

Dendritic heptad molecules in which four pyrenyl groups are connected at the central phosphorus atom of the edge-porphyrins of the center-to-edge type porphyrin trimers were synthesized to investigate a multi-step excitation energy transfer. As the central energy acceptor, two types porphyrins which one was phosphorus(V)tetraphenylporphyrin (H2) and another was its derivative substituted by butoxy groups at four para-position of meso-phenyl groups (H1) were used. In the photoexcited state of the pyrene units, the excitation energy transfer to the central-porphyrin unit was observed in toluene. The excitation energy transfer is considered to be through two pathways; one is a stepwise pathway through the edge-porphyrin unit and another is a direct excitation energy transfer to the central porphyrin. The direct excitation energy transfer from pyrenes to the edge-porphyrin and central-porphyrin were observed in the case for H1. From the excited state of the edge-porphyrins, the excitation energy transfer to the central-porphyrin occurs in the H1 case. In the H2 case, the excitation energy of central-porphyrin is higher than that of H1, and the electron transfer from edge-porphyrin to the central-porphyrin become predominant process. - Highlights: • Dendritic pyrene-porphyrin heptads were synthesized. • Excitation energy transfer occurs from the pyrenyl moiety to the phosphorus(V)porphyrin. • The stepwise and direct energy transfer pathways were observed. • The quantum yields of these energy transfer pathways could be determined.

Multi-step intramolecular excitation energy transfer in dendritic pyrene-phosphorus(V)porphyrin heptads

International Nuclear Information System (INIS)

Hirakawa, Kazutaka; Segawa, Hiroshi

2016-01-01

Dendritic heptad molecules in which four pyrenyl groups are connected at the central phosphorus atom of the edge-porphyrins of the center-to-edge type porphyrin trimers were synthesized to investigate a multi-step excitation energy transfer. As the central energy acceptor, two types porphyrins which one was phosphorus(V)tetraphenylporphyrin (H2) and another was its derivative substituted by butoxy groups at four para-position of meso-phenyl groups (H1) were used. In the photoexcited state of the pyrene units, the excitation energy transfer to the central-porphyrin unit was observed in toluene. The excitation energy transfer is considered to be through two pathways; one is a stepwise pathway through the edge-porphyrin unit and another is a direct excitation energy transfer to the central porphyrin. The direct excitation energy transfer from pyrenes to the edge-porphyrin and central-porphyrin were observed in the case for H1. From the excited state of the edge-porphyrins, the excitation energy transfer to the central-porphyrin occurs in the H1 case. In the H2 case, the excitation energy of central-porphyrin is higher than that of H1, and the electron transfer from edge-porphyrin to the central-porphyrin become predominant process. - Highlights: • Dendritic pyrene-porphyrin heptads were synthesized. • Excitation energy transfer occurs from the pyrenyl moiety to the phosphorus(V)porphyrin. • The stepwise and direct energy transfer pathways were observed. • The quantum yields of these energy transfer pathways could be determined.

Energy-dependent collisional deactivation of vibrationally excited azulene

International Nuclear Information System (INIS)

Shi, J.; Barker, J.R.

1988-01-01

Collisional energy transfer parameters for highly vibrationally excited azulene have been deduced from new infrared fluorescence (IRF) emission lifetime data with an improved calibration relating IRF intensity to vibrational energy [J. Shi, D. Bernfeld, and J. R. Barker, J. Chem. Phys. 88, XXXX (1988), preceding paper]. In addition, data from previous experiments [M. J. Rossi, J. R. Pladziewicz, and J. R. Barker, J. Chem. Phys. 78, 6695 (1983)] have been reanalyzed based on the improved calibration. Inversion of the IRF decay curves produced plots of energy decay, which were analyzed to determine , the average energy transferred per collision. Master equation simulations reproduced both the original IRF decays and the deduced energy decays. A third (simple) method of determination agrees well with the other two. The results show to be nearly directly proportional to the vibrational energy of the excited azulene from ∼8000 to 33 000 cm -1 . At high energies, there are indications that the energy dependence may be slightly reduced

Review of high excitation energy structures in heavy ion collisions: target excitations and three body processes

International Nuclear Information System (INIS)

Frascaria, N.

1987-09-01

A review of experimental results on high excitation energy structures in heavy ion inelastic scattering is presented. The contribution to the spectra of the pick-up break-up mechanism is discussed in the light of the data obtained with light heavy ion projectiles. Recent results obtained with 40 Ar beams at various energies will show that target excitations contribute strongly to the measured cross section

Rydberg energies using excited state density functional theory

International Nuclear Information System (INIS)

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

2008-01-01

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

The Mean Excitation Energy of Atomic Ions

DEFF Research Database (Denmark)

Sauer, Stephan; Oddershede, Jens; Sabin, John R.

2015-01-01

A method for calculation of the mean excitation energies of atomic ions is presented, making the calculation of the energy deposition of fast ions to plasmas, warm, dense matter, and complex biological systems possible. Results are reported to all ions of helium, lithium, carbon, neon, aluminum...

Field-dependent molecular ionization and excitation energies: Implications for electrically insulating liquids

Directory of Open Access Journals (Sweden)

N. Davari

2014-03-01

Full Text Available The molecular ionization potential has a relatively strong electric-field dependence as compared to the excitation energies which has implications for electrical insulation since the excited states work as an energy sink emitting light in the UV/VIS region. At some threshold field, all the excited states of the molecule have vanished and the molecule is a two-state system with the ground state and the ionized state, which has been hypothesized as a possible origin of different streamer propagation modes. Constrained density-functional theory is used to calculate the field-dependent ionization potential of different types of molecules relevant for electrically insulating liquids. The low singlet-singlet excitation energies of each molecule have also been calculated using time-dependent density functional theory. It is shown that low-energy singlet-singlet excitation of the type n → π* (lone pair to unoccupied π* orbital has the ability to survive at higher fields. This type of excitation can for example be found in esters, diketones and many color dyes. For alkanes (as for example n-tridecane and cyclohexane on the other hand, all the excited states, in particular the σ → σ* excitations vanish in electric fields higher than 10 MV/cm. Further implications for the design of electrically insulating dielectric liquids based on the molecular ionization potential and excitation energies are discussed.

Consistent evaluations of (n,2n) and (n,np) reaction excitation functions for some even-even isotopes using empirical systematics

Energy Technology Data Exchange (ETDEWEB)

Manokhin, Vassily N. [Russian Nuclear Data Center, Institute of Physics and Power Engineering, Obninsk (Russian Federation); Odano, Naoteru; Hasegawa, Akira [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

2001-03-01

An approach for consistent evaluation of (n,2n) and (n,np) reaction excitation functions for some even-even isotopes with the (n,np) reaction thresholds lower than (n,2n) reaction ones is described. For determination of cross sections in the maximum of the (n,2n) and (n,np) reaction excitation functions some empirical systematics developed by Manokhin were used together with trends in dependence of gaps between the (n,2n) and (n,np) thresholds on atomic mass number A. The shapes of the (n,2n) and (n,np) reaction excitation functions were calculated using the normalized functions from the Manokhin's systematics. Excitation functions of (n,2n) and (n,np) reactions were evaluated for several nuclei by using the systematics and it was found that the approach used for the present study gives reasonable results. (author)

Experimental determination of fragment excitation energies in multifragmentation events

Energy Technology Data Exchange (ETDEWEB)

Marie, N.; Natowitz, J.B. [Texas A and M Univ., College Station, TX (United States). Cyclotron Inst.; Chbihi, A.; Le Fevre, A.; Salou, S.; Wieleczko, J.P.; Gingras, L.; Auger, G. [Grand Accelerateur National d`Ions Lourds, 14 - Caen (France); Assenard, M. [Nantes Univ., 44 (France); Bacri, Ch.O. [Centre National de la Recherche Scientifique, CNRS, 91 - Orsay (France)] [and others

1998-03-17

For 50 MeV/nucleon {sup 129}Xe + {sup nat}Sn multifragmentation events, by means of correlation techniques, the multiplicities of the hydrogen and helium isotopes which were emitted by the hot primary excited fragments produced at the stage of the disassembly of an equilibrated hot source are determined. The relative kinetic energy distributions between the primary clusters and the light charged particles that they evaporate are also derived. From the comparison between the secondary multiplicities observed experimentally and the multiplicities predicted by the GEMINI model, it is concluded that the source breaks into primary fragments which are characterized by the same N/Z ratio as the combined system. Knowing the secondary light charged particle multiplicities and kinetic energies, the average charges of the hot fragments and are reconstructed their mean excitation energies are estimated. The fragment excitation energies are equal to 3.0 MeV/nucleon for the full range of intermediate mass fragment atomic number. This global constancy indicates that, on the average, thermodynamical equilibrium was achieved at the disassembly stage of the source. (author) 25 refs.

Experimental determination of fragment excitation energies in multifragmentation events

International Nuclear Information System (INIS)

Marie, N.; Natowitz, J.B.; Assenard, M.; Bacri, Ch.O.

1998-01-01

For 50 MeV/nucleon 129 Xe + nat Sn multifragmentation events, by means of correlation techniques, the multiplicities of the hydrogen and helium isotopes which were emitted by the hot primary excited fragments produced at the stage of the disassembly of an equilibrated hot source are determined. The relative kinetic energy distributions between the primary clusters and the light charged particles that they evaporate are also derived. From the comparison between the secondary multiplicities observed experimentally and the multiplicities predicted by the GEMINI model, it is concluded that the source breaks into primary fragments which are characterized by the same N/Z ratio as the combined system. Knowing the secondary light charged particle multiplicities and kinetic energies, the average charges of the hot fragments and are reconstructed their mean excitation energies are estimated. The fragment excitation energies are equal to 3.0 MeV/nucleon for the full range of intermediate mass fragment atomic number. This global constancy indicates that, on the average, thermodynamical equilibrium was achieved at the disassembly stage of the source. (author)

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

Science.gov (United States)

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

2017-12-07

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

JANUS - A setup for low-energy Coulomb excitation at ReA3

Science.gov (United States)

Lunderberg, E.; Belarge, J.; Bender, P. C.; Bucher, B.; Cline, D.; Elman, B.; Gade, A.; Liddick, S. N.; Longfellow, B.; Prokop, C.; Weisshaar, D.; Wu, C. Y.

2018-03-01

A new experimental setup for low-energy Coulomb excitation experiments was constructed in a collaboration between the National Superconducting Cyclotron Laboratory (NSCL), Lawrence Livermore National Laboratory (LLNL), and the University of Rochester and was commissioned at the general purpose beam line of NSCL's ReA3 reaccelerator facility. The so-called JANUS setup combines γ-ray detection with the Segmented Ge Array (SeGA) and scattered particle detection using a pair of segmented double-sided Si detectors (Bambino 2). The low-energy Coulomb excitation program that JANUS enables will complement intermediate-energy Coulomb excitation studies that have long been performed at NSCL by providing access to observables that quantify collectivity beyond the first excited state, including the sign and magnitude of excited-state quadrupole moments. In this work, the setup and its performance will be described based on the commissioning run that used stable 78Kr impinging onto a 1.09 mg/cm2208Pb target at a beam energy of 3.9 MeV/u.

Hot nuclei, limiting temperatures and excitation energies

International Nuclear Information System (INIS)

Peter, J.

1986-09-01

Hot fusion nuclei are produced in heavy ion collisions at intermediate energies (20-100 MeV/U). Information on the maximum excitation energy per nucleon -and temperatures- indicated by the experimental data is compared to the predictions of static and dynamical calculations. Temperatures around 5-6 MeV are reached and seem to be the limit of formation of thermally equilibrated fusion nuclei

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

Energy Technology Data Exchange (ETDEWEB)

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

2009-10-26

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

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

Science.gov (United States)

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

2017-09-01

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

Mott transition: Low-energy excitations and superconductivity

International Nuclear Information System (INIS)

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

1988-09-01

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

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

Science.gov (United States)

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

2017-12-01

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

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

DEFF Research Database (Denmark)

Bohr, Henrik; Malik, F. Bary

2013-01-01

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

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

International Nuclear Information System (INIS)

Soloviev, V.G.

1976-01-01

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

Low-energy Coulomb excitation of neutron-rich zinc isotopes

CERN Document Server

Van de Walle, J; Behrens, T; Bildstein, V; Blazhev, A; Cederkäll, J; Clément, E; Cocolios, T E; Davinson, T; Delahaye, P; Eberth, J; Ekström, A; Fedorov, D V; Fedosseev, V; Fraile, L M; Franchoo, S; Gernhäuser, R; Georgiev, G; Habs, D; Heyde, K; Huber, G; Huyse, M; Ibrahim, F; Ivanov, O; Iwanicki, J; Jolie, J; Kester, O; Köster, U; Kröll, T; Krücken, R; Lauer, M; Lisetskiy, A F; Lutter, R; Marsh, B A; Mayet, P; Niedermaier, O; Pantea, M; Raabe, R; Reiter, P; Sawicka, M; Scheit, H; Schrieder, G; Schwalm, D; Seliverstov, M D; Sieber, T; Sletten, G; Smirnova, N; Stanoiu, M; Stefanescu, I; Thomas, J C; Valiente-Dobón, J J; Van Duppen, P; Verney, D; Voulot, D; Warr, N; Weisshaar, D; Wenander, F; Wolf, B H; Zielinska, M

2009-01-01

At the radioactive ion beam facility REX-ISOLDE, neutron-rich zinc isotopes were investigated using low-energy Coulomb excitation. These experiments have resulted in B(E2,20) values in 74-80Zn, B(E2,42) values in 74,76Zn and the determination of the energy of the first excited 2 states in 78,80Zn. The zinc isotopes were produced by high-energy proton- (A=74,76,80) and neutron- (A=78) induced fission of 238U, combined with selective laser ionization and mass separation. The isobaric beam was postaccelerated by the REX linear accelerator and Coulomb excitation was induced on a thin secondary target, which was surrounded by the MINIBALL germanium detector array. In this work, it is shown how the selective laser ionization can be used to deal with the considerable isobaric beam contamination and how a reliable normalization of the experiment can be achieved. The results for zinc isotopes and the N=50 isotones are compared to collective model predictions and state-of-the-art large-scale shell-model calculations, i...

Coherent excitation-energy transfer and quantum entanglement in a dimer

International Nuclear Information System (INIS)

Liao Jieqiao; Sun, C. P.; Huang Jinfeng; Kuang Leman

2010-01-01

We study coherent energy transfer of a single excitation and quantum entanglement in a dimer, which consists of a donor and an acceptor modeled by two two-level systems. Between the donor and the acceptor, there exists a dipole-dipole interaction, which provides the physical mechanism for coherent energy transfer and entanglement generation. The donor and the acceptor couple to two independent heat baths with diagonal couplings that do not dissipate the energy of the noncoupling dimer. Special attention is paid to the effect on single-excitation energy transfer and entanglement generation of the energy detuning between the donor and the acceptor and the temperatures of the two heat baths. It is found that, the probability for single-excitation energy transfer largely depends on the energy detuning in the low temperature limit. Concretely, the positive and negative energy detunings can increase and decrease the probability at steady state, respectively. In the high temperature limit, however, the effect of the energy detuning on the probability is negligibly small. We also find that the probability is negligibly dependent on the bath temperature difference of the two heat baths. In addition, it is found that quantum entanglement can be generated in the process of coherent energy transfer. As the bath temperature increases, the generated steady-state entanglement decreases. For a given bath temperature, the steady-state entanglement decreases with the increase of the absolute value of the energy detuning.

Ultrafast excitation energy transfer from encapsulated quaterrylene to single-walled carbon nanotube

Energy Technology Data Exchange (ETDEWEB)

Koyama, Takeshi, E-mail: koyama@nuap.nagoya-u.ac.jp [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Tsunekawa, Takuya [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Saito, Takeshi [Research Center for Advanced Carbon Materials, AIST, Tsukuba, Ibaraki 305-8565 (Japan); Asaka, Koji; Saito, Yahachi [Department of Quantum Engineering, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Kishida, Hideo [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Nakamura, Arao [Department of Applied Physics, Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Toyota Physical and Chemical Research Institute, Nagakute, Aichi 480-1192 (Japan)

2016-01-15

We investigate excitation energy transfer from an encapsulated quaterrylene molecule to a single-walled carbon nanotube by means of femtosecond pump-probe spectroscopy. The time constant of energy transfer becomes shorter with increasing average diameter of nanotube: 1.4±0.2 ps for 1.0 nm, 1.1±0.2 ps for 1.4 nm, and 0.4±0.1 ps for 1.8 nm. The observed behavior is discussed considering the distance of less than 1 nm between the molecule and the nanotube wall. - Highlights: • Dynamical properties of excited states in quaterrylene/SWNT composites were studied. • Excitation energy transfer occurs in the time range of 0.4-1.4 ps. • The transfer rate depends on the nanotube diameter, i.e. molecule-nanotube wall distance. • This dependence indicates the feature of excitation energy transfer on the nanoscale.

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.)

Systematics of nuclear mass and level density formulas

Energy Technology Data Exchange (ETDEWEB)

Nakamura, Hisashi [Fuji Electric Co. Ltd., Kawasaki, Kanagawa (Japan)

1998-03-01

The phenomenological models of the nuclear mass and level density are close related to each other, the nuclear ground and excited state properties are described by using the parameter systematics on the mass and level density formulas. The main aim of this work is to provide in an analytical framework the improved energy dependent shell, pairing and deformation corrections generalized to the collective enhancement factors, which offer a systematic prescription over a great number of nuclear reaction cross sections. The new formulas are shown to be in close agreement with not only the empirical nuclear mass data but the measured slow neutron resonance spacings, and experimental systematics observed in the excitation energy dependent properties. (author)

Excitation-energy-dependent resonances in x-ray emissions under near-threshold electron excitation of the Ce 3d and 4d levels

International Nuclear Information System (INIS)

Chamberlain, M.B.; Baun, W.L.

1975-01-01

Soft x-ray appearance potential spectra of the 3d and 4d levels of polycrystalline cerium metal are reported in this paper. Resonant x-ray emissions are observed when the electron-excitation energy sweeps through the ionization energies of the 3d and 4d levels. The resonant x rays excited at the 3d-level onsets are considerably more intense, and are excited at a lower electron-excitation energy than the 3d-series characteristic x rays. In the neighborhood of the 4d-electron thresholds, four line-like structures extend to approx.8 eV below the 4d-electron binding energies, while two broad and more intense structures occur above the 4d onsets, with the largest one reaching a peak intensity at 12 eV above the 4d thresholds. The resonant emissions apparently arise from the decay of threshold-excited states which are bound to the inner vacancy and have core configurations nd 9 4f 3 , (n=3,4). The exchange interaction between the three 4f electrons and the respective d-orbital vacancy spreads the 4d-threshold structures over a 20 eV range of excitation energies and the 3d-threshold structures over a much smaller range

Aspects of kinematical coincidence measurements of excitation energy division in damped reactions

International Nuclear Information System (INIS)

Toke, J.; Schroeder, W.U.; Huizenga, J.R.; Rochester Univ., NY

1990-01-01

It is shown that the finite resolution inherent in the kinematical coincidence method leads to systematic errors in the deduced (primary) physical quantities if the latter are calculated based on mass and linear momentum conservation equations alone. As an example, application of this method for measuring excitation energy of the fragments from damped reactions is reviewed. In such a case, finite resolution effects generate significant instrumental, or 'background' correlations between the physical quantities reconstructed in a straightforward fashion, hence, if not accounted for, they may lead to the qualitative misinterpretation of the data. Experimental measures are discussed which appear necessary in order to ensure proper accuracy of the finite resolution corrections. An alternative method of data analysis is presented which is much less susceptible to the finite resolution effects discussed. (orig.)

Singlet-triplet splittings from the virial theorem and single-particle excitation energies

Science.gov (United States)

Becke, Axel D.

2018-01-01

The zeroth-order (uncorrelated) singlet-triplet energy difference in single-particle excited configurations is 2Kif, where Kif is the Coulomb self-energy of the product of the transition orbitals. Here we present a non-empirical, virial-theorem argument that the correlated singlet-triplet energy difference should be half of this, namely, Kif. This incredibly simple result gives vertical HOMO-LUMO excitation energies in small-molecule benchmarks as good as the popular TD-B3LYP time-dependent approach to excited states. For linear acenes and nonlinear polycyclic aromatic hydrocarbons, the performance is significantly better than TD-B3LYP. In addition to the virial theorem, the derivation borrows intuitive pair-density concepts from density-functional theory.

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

International Nuclear Information System (INIS)

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

2005-01-01

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

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

Science.gov (United States)

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

2015-04-15

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

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.

Identification of the low-energy excitations in a quantum critical system

Directory of Open Access Journals (Sweden)

Tom Heitmann

2017-05-01

Full Text Available We have identified low-energy magnetic excitations in a doped quantum critical system by means of polarized neutron scattering experiments. The presence of these excitations could explain why Ce(Fe0.76Ru0.242Ge2 displays dynamical scaling in the absence of local critical behavior or long-range spin-density wave criticality. The low-energy excitations are associated with the reorientations of the superspins of fully ordered, isolated magnetic clusters that form spontaneously upon lowering the temperature. The system houses both frozen clusters and dynamic clusters, as predicted by Hoyos and Vojta [Phys. Rev. B 74, 140401(R (2006].

Excitation energy of the fragments produced in central collisions of Xe + Sn at intermediate energies

Energy Technology Data Exchange (ETDEWEB)

Hudan, S.; Chbihi, A.; Frankland, J.D. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France)] [and others

2000-07-01

Characteristics of the primary fragments produced in central collisions of Xe + Sn system from 32 to 50 AMeV have been deduced. By using the relative velocity correlation technique between the light charged particles (LCP) and detected fragments, we were able to extract the multiplicities and average kinetic energy of the secondary evaporated LCP. We then reconstructed the size and excitation energy of the primary fragments. For each bombarding energy a constant value of the excitation energy per nucleon, over the whole range of fragment charge has been found, suggesting that on the average thermodynamical equilibrium has been achieved at the freeze-out. This value increases slightly from 2.8 to 3.8 AMeV with a large increase of bombarding energy, 32 to 50 AMeV. (authors)

Excitation energy of the fragments produced in central collisions of Xe + Sn at intermediate energies

International Nuclear Information System (INIS)

Hudan, S.; Chbihi, A.; Frankland, J.D.

2000-01-01

Characteristics of the primary fragments produced in central collisions of Xe + Sn system from 32 to 50 AMeV have been deduced. By using the relative velocity correlation technique between the light charged particles (LCP) and detected fragments, we were able to extract the multiplicities and average kinetic energy of the secondary evaporated LCP. We then reconstructed the size and excitation energy of the primary fragments. For each bombarding energy a constant value of the excitation energy per nucleon, over the whole range of fragment charge has been found, suggesting that on the average thermodynamical equilibrium has been achieved at the freeze-out. This value increases slightly from 2.8 to 3.8 AMeV with a large increase of bombarding energy, 32 to 50 AMeV. (authors)

Realistic level densities in fragment emission at high excitation energies

International Nuclear Information System (INIS)

Mustafa, M.G.; Blann, M.; Ignatyuk, A.V.

1993-01-01

Heavy fragment emission from a 44 100 Ru compound nucleus at 400 and 800 MeV of excitation is analyzed to study the influence of level density models on final yields. An approach is used in which only quasibound shell-model levels are included in calculating level densities. We also test the traditional Fermi gas model for which there is no upper energy limit to the single particle levels. We compare the influence of these two level density models in evaporation calculations of primary fragment excitations, kinetic energies and yields, and on final product yields

Photoionization study of doubly-excited helium at ultra-high resolution

Energy Technology Data Exchange (ETDEWEB)

Kaindl, G.; Schulz, K.; Domke, M. [Freie Universitaet Berlin (Germany)] [and others

1997-04-01

Ever since the pioneering work of Madden & Codling and Cooper, Fano & Prats on doubly-excited helium in the early sixties, this system may be considered as prototypical for the study of electron-electron correlations. More detailed insight into these states could be reached only much later, when improved theoretical calculations of the optically-excited {sup 1}P{sup 0} double-excitation states became available and sufficiently high energy resolution ({delta}E=4.0 meV) was achieved. This allowed a systematic investigation of the double-excitation resonances of He up to excitation energies close to the double-ionization threshold, I{sub infinity}=79.003 eV, which stimulated renewed theoretical interest into these correlated electron states. The authors report here on striking progress in energy resolution in this grazing-incidence photon-energy range of grating monochromators and its application to hitherto unobservable states of doubly-excited He. By monitoring an extremely narrow double-excitation resonance of He, with a theoretical lifetime width of less than or equal to 5 {mu}eV, a resolution of {delta}E=1.0 meV (FWHM) at 64.1 eV could be achieved. This ultra-high spectral resolution, combined with high photon flux, allowed the investigation of new Rydberg resonances below the N=3 ionization threshold, I{sub 3}, as well as a detailed comparison with ab-initio calculations.

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

Science.gov (United States)

Chatterji, Tapan; Jalarvo, Niina

2013-04-17

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

Spectroscopy of nitrophenolates in vacuo: effect of spacer, configuration, and microsolvation on the charge-transfer excitation energy.

Science.gov (United States)

Brøndsted Nielsen, Steen; Brøndsted Nielsen, Mogens; Rubio, Angel

2014-04-15

gas-phase ion spectroscopy in Aarhus is given, and we address issues of whether double bonds or triple bonds best convey electronic coupling between the phenolate oxygen and the nitro group, the significance of separating the donor and acceptor spatially, the influence of cross-conjugation versus linear conjugation, and along this line ortho versus meta versus para configuration, and not least the effect of a single solvent molecule (water, methanol, or acetonitrile). From systematic studies, a clear picture has emerged that has been supported by high-level calculations of electronically excited states. Our work shows that CC2 coupled-cluster calculations of vertical excitation energies are within 0.2 eV of experimental band maxima, and importantly, that the theoretical method is excellent in predicting the relative order of excitation energies of a series of nitrophenolates. Finally, we discuss future challenges such as following the change in absorption as a function of the number of solvent molecules and when gradually approaching the bulk limit.

Influence of the excited states on the electron-energy distribution function in low-pressure microwave argon plasmas

International Nuclear Information System (INIS)

Yanguas-Gil, A.; Cotrino, J.; Gonzalez-Elipe, A.R.

2005-01-01

In this work the influence of the excited states on the electron-energy distribution function has been determined for an argon microwave discharge at low pressure. A collisional-radiative model of argon has been developed taking into account the most recent experimental and theoretical values of argon-electron-impact excitation cross sections. The model has been solved along with the electron Boltzmann equation in order to study the influence of the inelastic collisions from the argon excited states on the electron-energy distribution function. Results show that under certain conditions the excited states can play an important role in determining the shape of the distribution function and the mean kinetic energy of the electrons, deplecting the high-energy tail due to inelastic processes from the excited states, especially from the 4s excited configuration. It has been found that from the populations of the excited states an excitation temperature can be defined. This excitation temperature, which can be experimentally determined by optical emission spectroscopy, is lower than the electron kinetic temperature obtained from the electron-energy distribution function

Energies and lifetimes of excited states in copperlike Kr VIII

International Nuclear Information System (INIS)

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

1980-01-01

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

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

International Nuclear Information System (INIS)

Frey, R.W.

1978-01-01

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

Excitation energy partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

International Nuclear Information System (INIS)

Blocki, J.; Grotowski, K.; Planeta, R.

1990-01-01

The distribution of the excitation energy between both fragments in Heavy Ion Collision has been measured recently for the reaction 74 Ge + 165 Ho at 8.5 MeV/A. One can see from the experimental data a gradual transition from moreless equal partition of the heat for the peripheral collisions (small energy loss) toward equal temperatures in more central collisions (high energy loss). The similar dependence of the heat partition as a function of the energy loss was observed earlier by Vandenbosch et al for the reaction 56 Fe + 238 U at 8.5 MeV/A and by Benton et al for the 56 Fe + 165 Ho for a broad range of energy dissipation. Theoretical calculations leading to the excitation energy division between both fragments have been carried out by Randrup and by Feldmeier. In both calculations the same excitation mechanism was assumed which is the exchange of particles between colliding nuclei. Differences between results are mainly due to the different shape parametrization and calculation of the potential energy. Randrup's results are moving much faster towards equal temperatures limit if one goes to more central collisions. Both models however do not predict the direction of the experimental mass flow for the 56 Fe + 165 Ho system. In the present paper classical dynamical calculations following Feldmeir's approach with some modifications are presented for 74 Ge + 165 Ho system

Nonlinear dynamic analysis of cantilevered piezoelectric energy harvesters under simultaneous parametric and external excitations

Science.gov (United States)

Fang, Fei; Xia, Guanghui; Wang, Jianguo

2018-02-01

The nonlinear dynamics of cantilevered piezoelectric beams is investigated under simultaneous parametric and external excitations. The beam is composed of a substrate and two piezoelectric layers and assumed as an Euler-Bernoulli model with inextensible deformation. A nonlinear distributed parameter model of cantilevered piezoelectric energy harvesters is proposed using the generalized Hamilton's principle. The proposed model includes geometric and inertia nonlinearity, but neglects the material nonlinearity. Using the Galerkin decomposition method and harmonic balance method, analytical expressions of the frequency-response curves are presented when the first bending mode of the beam plays a dominant role. Using these expressions, we investigate the effects of the damping, load resistance, electromechanical coupling, and excitation amplitude on the frequency-response curves. We also study the difference between the nonlinear lumped-parameter and distributed-parameter model for predicting the performance of the energy harvesting system. Only in the case of parametric excitation, we demonstrate that the energy harvesting system has an initiation excitation threshold below which no energy can be harvested. We also illustrate that the damping and load resistance affect the initiation excitation threshold.

Self-energy correction to the hyperfine splitting for excited states

International Nuclear Information System (INIS)

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

2011-01-01

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

Neutron scattering investigation of magnetic excitations at high energy transfers

International Nuclear Information System (INIS)

Loong, C.K.

1984-01-01

With the advance of pulsed spallation neutron sources, neutron scattering investigation of elementary excitations in magnetic materials can now be extended to energies up to several hundreds of MeV. We have measured, using chopper spectrometers and time-of-flight techniques, the magnetic response functions of a series of d and f transition metals and compounds over a wide range of energy and momentum transfer. In PrO 2 , UO 2 , BaPrO 3 and CeB 6 we observed crystal-field transitions between the magnetic ground state and the excited levels in the energy range from 40 to 260 MeV. In materials exhibiting spin-fluctuation or mixed-valent character such as Ce 74 Th 26 , on the other hand, no sharp crystal-field lines but a broadened quasielastic magnetic peak was observed. The line width of the quasielastic component is thought to be connected to the spin-fluctuation energy of the 4f electrons. The significance of the neutron scattering results in relation to the ground state level structure of the magnetic ions and the spin-dynamics of the f electrons is discussed. Recently, in a study of the spin-wave excitations in itinerant magnetic systems, we have extended the spin-wave measurements in ferromagnetic iron up to about 160 MeV. Neutron scattering data at high energy transfers are of particular interest because they provide direct comparison with recent theories of itinerant magnetism. 26 references, 7 figures

Energy harvesting from coherent resonance of horizontal vibration of beam excited by vertical base motion

Energy Technology Data Exchange (ETDEWEB)

Lan, C. B.; Qin, W. Y. [Department of Engineering Mechanics, Northwestern Polytechnical University, Xi' an 710072 (China)

2014-09-15

This letter investigates the energy harvesting from the horizontal coherent resonance of a vertical cantilever beam subjected to the vertical base excitation. The potential energy of the system has two symmetric potential wells. So, under vertical excitation, the system can jump between two potential wells, which will lead to the large vibration in horizontal direction. Two piezoelectric patches are pasted to harvest the energy. From experiment, it is found that the vertical excitation can make the beam turn to be bistable. The system can transform vertical vibration into horizontal vibration of low frequency when excited by harmonic motion. The horizontal coherence resonance can be observed when excited by a vertical white noise. The corresponding output voltages of piezoelectric films reach high values.

Plasmon assisted control of photo-induced excitation energy transfer in a molecular chain

Science.gov (United States)

Wang, Luxia; May, Volkhard

2017-08-01

The strong and ultrafast laser pulse excitation of a molecular chain in close vicinity to a spherical metal nano-particle (MNP) is studied theoretically. Due to local-field enhancement around the MNP, pronounced excited-state formation has to be expected for the part of the chain which is in proximity to the MNP. Here, the description of this phenomenon will be based on a uniform quantum theory of the MNP-molecule system. It accounts for local-field effects due to direct consideration of the strong excitation energy transfer coupling between the MNP and the various molecules. The molecule-MNP distances are chosen in such a way as to achieve a correct description of the MNP via dipole-plasmon excitations. Short plasmon life-times are incorporated in the framework of a density matrix approach. By extending earlier work the present description allows for multi-exciton formation and multiple dipole-plasmon excitation. The region of less intense and not-too-short optical excitation is identified as being best suited for excitation energy localization in the chain.

Excited-atom production by electron and ion bombardment of alkali halides

International Nuclear Information System (INIS)

Walkup, R.E.; Avouris, P.; Ghosh, A.P.

1987-01-01

We present experimental results on the production of excited atoms by electron and ion bombardment of alkali halides. For the case of electron bombardment, Doppler shift measurements show that the electronically excited atoms have a thermal velocity distribution in equilibrium with the surface temperature. Measurements of the absolute yield of excited atoms, the distribution of population among the excited states, and the systematic dependence on incident electron current and sample temperature support a model in which the excited atoms are produced by gas-phase collisions between desorbed ground-state atoms and secondary electrons. In contrast, for the case of ion bombardment, the excited atoms are directly sputtered from the surface, with velocity distributions characteristic of a collision cascade, and with typical energies of --10 eV

Optogalvanic monitoring of collisional transfer of laser excitation energy in a neon RF plasma

International Nuclear Information System (INIS)

Armstrong, T.D.

1994-01-01

The optogalvanic signals produced by pulsed laser excitation of 1s5--2p8 and 1s5-2p9 (Paschen notation) transition by a ∼29 MHz radiofrequency (rf) discharge at ∼5 torr have been investigated. The optogalvanic signal produced by 1s5-2p9 excitations indicates that there is transfer of energy from the 2p9 state to some other state. The state to which this energy is transferred is believed to be mainly the 2p8 state because of the very small energy gap between the 2p9 and 2p8 states. To verify this transfer, the 1s5-2p8 transition was investigated. The similarity of the temporal profiles of the optogalvanic signals in both excitations confirms the collisional transfer of laser excitation energy from 2p9 to 2p8

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

Energy Technology Data Exchange (ETDEWEB)

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

2010-11-14

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

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

International Nuclear Information System (INIS)

Shamim, Md; Harbola, Manoj K

2010-01-01

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

Maximizing direct current power delivery from bistable vibration energy harvesting beams subjected to realistic base excitations

Science.gov (United States)

Dai, Quanqi; Harne, Ryan L.

2017-04-01

Effective development of vibration energy harvesters is required to convert ambient kinetic energy into useful electrical energy as power supply for sensors, for example in structural health monitoring applications. Energy harvesting structures exhibiting bistable nonlinearities have previously been shown to generate large alternating current (AC) power when excited so as to undergo snap-through responses between stable equilibria. Yet, most microelectronics in sensors require rectified voltages and hence direct current (DC) power. While researchers have studied DC power generation from bistable energy harvesters subjected to harmonic excitations, there remain important questions as to the promise of such harvester platforms when the excitations are more realistic and include both harmonic and random components. To close this knowledge gap, this research computationally and experimentally studies the DC power delivery from bistable energy harvesters subjected to such realistic excitation combinations as those found in practice. Based on the results, it is found that the ability for bistable energy harvesters to generate peak DC power is significantly reduced by introducing sufficient amount of stochastic excitations into an otherwise harmonic input. On the other hand, the elimination of a low amplitude, coexistent response regime by way of the additive noise promotes power delivery if the device was not originally excited to snap-through. The outcomes of this research indicate the necessity for comprehensive studies about the sensitivities of DC power generation from bistable energy harvester to practical excitation scenarios prior to their optimal deployment in applications.

Spectroscopic probes of vibrationally excited molecules at chemically significant energies

Energy Technology Data Exchange (ETDEWEB)

Rizzo, T.R. [Univ. of Rochester, NY (United States)

1993-12-01

This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

Comparison of sensitivities and detection limits between direct excitation and secondary excitation modes in energy dispersive x-ray fluorescence analysis

International Nuclear Information System (INIS)

Artz, B.E.; Short, M.A.

1976-01-01

A comparison was made between the direct tube excitation mode and the secondary target excitation mode using a Kevex 0810 energy dispersive x-ray fluorescence system. Relative sensitivities and detection limits were determined with two system configurations. The first configuration used a standard, high power, x-ray fluorescence tube to directly excite the specimen. Several x-ray tubes, including chromium, molybdenum, and tungsten, both filtered and not filtered, were employed. The second configuration consisted of using the x-ray tube to excite a secondary target which in turn excited the specimen. Appropriate targets were compared to the direct excitation results. Relative sensitivities and detection limits were determined for K-series lines for elements from magnesium to barium contained in a low atomic number matrix and in a high atomic number matrix

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

Science.gov (United States)

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

2016-09-27

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

Excitation energy of a helium 3 quasiparticle in the bulk mixture at constant pressure

International Nuclear Information System (INIS)

Yim, M.B.

1981-01-01

A 3 He quasiparticle excitation energy in bulk mixture at zero pressure and 6% solution is calculated to O(x) using the bulk effective interaction of Yim and Massey. The present 3 He quasiparticle excitation energy is in agreement with the experimental result of Hilton, Scherm and Stirling. (author)

Atomic excitation and molecular dissociation by low energy electron collisions

International Nuclear Information System (INIS)

Weyland, Marvin

2016-01-01

In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

Atomic excitation and molecular dissociation by low energy electron collisions

Energy Technology Data Exchange (ETDEWEB)

Weyland, Marvin

2016-11-16

In this work, momentum imaging experiments have been conducted for the electron impact excitation of metastable states in noble gases and for dissociative electron attachment (DEA) in polyatomic molecules. For the electron impact excitation study a new experimental technique has been developed which is able to measure the scattering angle distribution of the electrons by detection of the momentum transfer to the atoms. Momentum transfer images have been recorded for helium and neon at fixed electron impact energy close to the excitation threshold and good agreement with current R-matrix theory calculations was found. A new momentum imaging apparatus for negative ions has been built for the purpose of studying DEA in biologically relevant molecules. During this work, DEA was investigated in the molecules ammonia, water, formic acid, furan, pyridine and in two chlorofluorocarbons. Furthermore, the change of DEA resonance energies when molecules form clusters compared to monomers was investigated in ammonia and formic acid. The experimental results of most studied molecules could be compared to recent theoretical calculations and they support further development in the theoretical description of DEA. The new apparatus built in this work also delivered a superior momentum resolution compared to existing setups. This allows the momentum imaging of heavier fragments and fragments with lower kinetic energy.

An experimentally validated bimorph cantilever model for piezoelectric energy harvesting from base excitations

International Nuclear Information System (INIS)

Erturk, A; Inman, D J

2009-01-01

Piezoelectric transduction has received great attention for vibration-to-electric energy conversion over the last five years. A typical piezoelectric energy harvester is a unimorph or a bimorph cantilever located on a vibrating host structure, to generate electrical energy from base excitations. Several authors have investigated modeling of cantilevered piezoelectric energy harvesters under base excitation. The existing mathematical modeling approaches range from elementary single-degree-of-freedom models to approximate distributed parameter solutions in the sense of Rayleigh–Ritz discretization as well as analytical solution attempts with certain simplifications. Recently, the authors have presented the closed-form analytical solution for a unimorph cantilever under base excitation based on the Euler–Bernoulli beam assumptions. In this paper, the analytical solution is applied to bimorph cantilever configurations with series and parallel connections of piezoceramic layers. The base excitation is assumed to be translation in the transverse direction with a superimposed small rotation. The closed-form steady state response expressions are obtained for harmonic excitations at arbitrary frequencies, which are then reduced to simple but accurate single-mode expressions for modal excitations. The electromechanical frequency response functions (FRFs) that relate the voltage output and vibration response to translational and rotational base accelerations are identified from the multi-mode and single-mode solutions. Experimental validation of the single-mode coupled voltage output and vibration response expressions is presented for a bimorph cantilever with a tip mass. It is observed that the closed-form single-mode FRFs obtained from the analytical solution can successfully predict the coupled system dynamics for a wide range of electrical load resistance. The performance of the bimorph device is analyzed extensively for the short circuit and open circuit resonance

Analyzing powers of inelastic dp-scattering in the energy region of delta and roper resonances excitation

International Nuclear Information System (INIS)

Malinina, L.V.; Alkhazov, G.D.; Augustyniak, W.

2001-01-01

A study of inelastic scattering of polarized 3.73 GeV/c deuterons on protons in the energy region of the Roper N* (1440) and the Δ(1232) resonances excitation has been performed in an exclusive experiment at LNS (Laboratoire National SATURNE, Saclay, France) using the SPES4-π setup. Tensor and vector analyzing powers of pion production for the reactions d+p→d+n+π + , d+p→d+p+π 0 , d+p→d+N+ππ have been measured as functions of the squared deuteron 4-momentum transfer t, of the effective mass of the subsystems (Nπ), (Nππ) and of the pion emission angle. A strong dependence of these analyzing powers upon the pion emission angle is observed. It is found that A yy values for the considered reaction channels are systematically larger than the known inclusive p(d,d')X world data at the nearest beam energy

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)

Coulomb excitation of 206Hg at relativistic energies

Science.gov (United States)

Alexander, Tom

The region of the nuclear chart surrounding the doubly-magic nucleus 208Pb provides a key area to constrain and develop contemporary nuclear structure models. One aspect of particular interest is the transition strength of the first excited 2+ state in even-even nuclei; this work describes the measurement of this value for the case of 206Hg, where the Z=80 line meets the N=126 shell closure. The nuclei of interest were synthesized using relativistic-energy projectile fragmentation at the GSI facility in Germany. They were produced in the fragmentation of a primary 208Pb beam at an energy of 1 GeV per nucleon, and separated and identifed using the Fragment Separator. The secondary beams with an energy of 140 MeV per nucleon were Coulomb excited on a secondary target of 400 mg/cm. 2 gold. Gamma-rays were detected with the Advanced GAmma Tracking Array (AGATA). The precise scattering angle for Doppler-correction was determined with position information from the Lund-York-Cologne-CAlorimeter(LYCCA). Using the sophisticated tracking algorithm native to AGATA in conjunction with pulse-shape analysis, a precise Doppler-correction is performed on the gamma spectra, and using a complex n-dimensional analysis, the B(E2) value for 206Hg is extracted relative to the known value also measured in 206Pb. A total of 409 million 206Hg particles were measured, and a cross-section of 50 mb was determined for the 2+ state at 1068 keV. The measurement of the B(E2) transition strength was found to be 1.109 W.u. This result is compared to a number of theoretical calculations, including two Gogny forces, and a modified shell model parametrization and is found to be smaller than all calculated estimations, implying that the first excited 2. + state in . {206}Hg is uncollective in nature.

Ab initio calculation of electron excitation energies in solids

International Nuclear Information System (INIS)

Louie, S.G.

1996-02-01

Progress in the first-principles calculation of electron excitation energies in solids is discussed. Quasiparticle energies are computed by expanding the electron self energy to first order in the screened Coulomb interaction in the so-called GW approximation. The method was applied to explain and predict spectroscopic properties of a variety of systems. Several illustrative applications to semiconductors, materials under pressure, chemisorption, and point defects in solids are presented. A recent reformulation of the method employing mixed- space functions and imaginary time techniques is also discussed

Effect of collision energy and vibrational excitation on endothermic ion-molecule reactions

International Nuclear Information System (INIS)

Turner, T.P.

1984-07-01

This thesis is divided into two major parts. In the first part an experimental study of proton and deuteron transfer in H 2 + + He and HD + + He has been carried out as a function of kinetic and vibrational energy. The data gives evidence that at lower kinetic energies, the spectator stripping mechanism indeed plays an important role when H 2 + or HD + is vibrationally excited. The second half of this thesis examines the relative efficiencies between the excitation of C-C stretching vibration and collision energy on the promotion of the H atom transfer reaction of C 2 H 2 + + H 2 → C 2 H 3 + + H

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

Energy Technology Data Exchange (ETDEWEB)

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

1997-04-01

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

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

International Nuclear Information System (INIS)

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

1997-01-01

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

Control of base-excited dynamical systems through piezoelectric energy harvesting absorber

Science.gov (United States)

Abdelmoula, H.; Dai, H. L.; Abdelkefi, A.; Wang, L.

2017-09-01

The spring-mass absorber usually offers a good control to dynamical systems under direct base excitations for a specific value of the excitation frequency. As the vibrational energy of a primary dynamical system is transferred to the absorber, it gets dissipated. In this study, this energy is no longer dissipated but converted to available electrical power by designing efficient energy harvesters. A novel design of a piezoelectric beam installed inside an elastically-mounted dynamical system undergoing base excitations is considered. A design is carried out in order to determine the properties and dimensions of the energy harvester with the constraint of simultaneously decreasing the oscillating amplitudes of the primary dynamical system and increasing the harvested power of the energy harvesting absorber. An analytical model for the coupled system is constructed using Euler-Lagrange principle and Galerkin discretization. Different strategies for controlling the primary structure displacement and enhancing the harvested power as functions of the electrical load resistance and thickness of the beam substrate are performed. The linear polynomial approximation of the system’s key parameters as a function of the beam’s substrate thickness is first carried out. Then, the gradient method is applied to determine the adequate values of the electrical load resistance and thickness of the substrate under the constraints of minimizing the amplitudes of the primary structure or maximizing the levels of the harvested power. After that, an iterative strategy is considered in order to simultaneously minimize the amplitudes of the primary structure and maximize the levels of the harvested power as functions of the thickness of the substrate and electrical load resistance. In addition to harmonic excitations, the coupled system subjected to a white noise is explored. Through this analysis, the load resistance and thickness of the substrate of the piezoelectric energy harvester

Excitation of giant resonances through inelastic scattering

International Nuclear Information System (INIS)

Kailas, S.

1981-01-01

In the last few years, exciting developments have taken place in the study of giant resonances (GR). In addition to the already well known gjant dipole resonance (GDR), the presence of at least two more new GRs viz. giant quadrupole resonance (GQR) and giant monopole resonance (GMR) has been experimentally established. The systematics covering these GRs is found to be consistent with the theoretical expectation. Though the existence of higher multipoles has been predjcted by theory, so far only some of these have been found to be excited experimentally. Various probe particles - electrons, protons (polarized and unpolarized), light and heavy ions and pions - at different bombarding energies have been used to excite the GR region, primarily through the inelastic scattering process. Detailed experiments, looking at the decay modes of GR region, have also been performed. These studies have contributed significantly to a better understanding of the phenomenon of nuclear collective excitation. In this report, the current status of 'GR' research is reviewed. (author)

Electron-impact excitation of the potassium atom

International Nuclear Information System (INIS)

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

1979-01-01

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

Energy conservation attenuates the loss of skeletal muscle excitability during intense contractions

DEFF Research Database (Denmark)

Macdonald, W A; Ørtenblad, N; Nielsen, Ole Bækgaard

2007-01-01

High-frequency stimulation of skeletal muscle has long been associated with ionic perturbations, resulting in the loss of membrane excitability, which may prevent action potential propagation and result in skeletal muscle fatigue. Associated with intense skeletal muscle contractions are large...... with control muscles, the resting metabolites ATP, phosphocreatine, creatine, and lactate, as well as the resting muscle excitability as measured by M-waves, were unaffected by treatment with BTS plus dantrolene. Following 20 or 30 s of continuous 60-Hz stimulation, BTS-plus-dantrolene-treated muscles showed...... changes in muscle metabolites. However, the role of metabolites in the loss of muscle excitability is not clear. The metabolic state of isolated rat extensor digitorum longus muscles at 30 degrees C was manipulated by decreasing energy expenditure and thereby allowed investigation of the effects of energy...

Analyzing Powers of Inelastic dp-Scattering in the Energy Region of Delta and Roper Resonances Excitation

CERN Document Server

Malinina, L V; Augustyniak, W; Boivin, M; Boyard, J L; Dahl, R; Drews, M; Ellegaard, C; Fahri, L; Gaarde, C; Hennino, T; Jourdain, J C; Kagarlis, M A; Kravtsov, A V; Künne, R A; Larsen, J C; Morsch, P; Mylnikov, V A; Orichtchin, E M; Perdrisat, C F; Piskunov, N M; Prokofiev, A N; Punjabi, V; Radvanyi, P; Ramstein, B; Razmyslovich, B V; Roy-Stephan, M; Sitnik, I M; Skousen, M; Strokovsky, E A; Tkach, I I; Tomasi-Gustafsson, E; Volkov, S S; Zhdanov, A A; Zupranski, P

2001-01-01

A study of inelastic scattering of polarized 3.73 GeV/c deuterons on protons in the energy region of the Roper N*(1440) and the {DELTA}(1232) resonances excitation has been performed in an exclusive experiment at LNS (Laboratoire National SATURNE, Saclay, France) using the SPES-{pi} setup.Tensor and vector analyzing powers of pion production for the reactions d + p {\\to} d + n + pi^{+}, d + p {\\to} d + p + pi^{0}, d + p {\\to} d + N + pi pi have been measured as functions of the squared deuteron 4-momentum transfer t, of the effective mass of the subsystems (N pi), (N pi pi) and of the pion emission angle. A strong dependence of these analyzing powers upon the pion emission angle is observed. It is found that A_{yy} values for the considered reaction channels are systematically larger than the known inclusive {p (d, d {\\prime}) X} world data at the nearest beam energy.

Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation.

Science.gov (United States)

Zeng, Qiao; Liang, WanZhen

2015-10-07

The time-dependent density functional theory (TDDFT) has become the most popular method to calculate the electronic excitation energies, describe the excited-state properties, and perform the excited-state geometric optimization of medium and large-size molecules due to the implementation of analytic excited-state energy gradient and Hessian in many electronic structure software packages. To describe the molecules in condensed phase, one usually adopts the computationally efficient hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) models. Here, we extend our previous work on the energy gradient of TDDFT/MM excited state to account for the mutual polarization effects between QM and MM regions, which is believed to hold a crucial position in the potential energy surface of molecular systems when the photoexcitation-induced charge rearrangement in the QM region is drastic. The implementation of a simple polarizable TDDFT/MM (TDDFT/MMpol) model in Q-Chem/CHARMM interface with both the linear response and the state-specific features has been realized. Several benchmark tests and preliminary applications are exhibited to confirm our implementation and assess the effects of different treatment of environmental polarization on the excited-state properties, and the efficiency of parallel implementation is demonstrated as well.

Z-dependence of Mean Excitation Energies for Second and Third Row Atoms and Their Ions

DEFF Research Database (Denmark)

Sauer, Stephan P. A.; Sabin, John R.; Oddershede, Jens

2018-01-01

All mean excitations energies for second and third row atoms and their ions are calculated in the random‐phase approximation using large basis sets. To a very good approximation it turns out that mean excitation energies within an isoelectronic series is a quadratic function of the nuclear charge...

El strength function at high spin and excitation energy

International Nuclear Information System (INIS)

Barrette, J.

1983-04-01

Recently giant dipole resonance-like concentration of the dipole strength function in nuclei was observed at both high excitation energies and high spins. This observation raises the possibility of obtaining new information on the shape of rapidly rotating heated nuclei. Recent experimental results on this subject are reviewed

Targeted energy transfers and passive acoustic wave redirection in a two-dimensional granular network under periodic excitation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yijing, E-mail: yzhng123@illinois.edu; Moore, Keegan J.; Vakakis, Alexander F. [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); McFarland, D. Michael [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

2015-12-21

We study passive pulse redirection and nonlinear targeted energy transfer in a granular network composed of two semi-infinite, ordered homogeneous granular chains mounted on linear elastic foundations and coupled by weak linear stiffnesses. Periodic excitation in the form of repetitive half-sine pulses is applied to one of the chains, designated as the “excited chain,” whereas the other chain is initially at rest and is regarded as the “absorbing chain.” We show that passive pulse redirection and targeted energy transfer from the excited to the absorbing chain can be achieved by macro-scale realization of the spatial analog of the Landau-Zener quantum tunneling effect. This is realized by finite stratification of the elastic foundation of the excited chain and depends on the system parameters (e.g., the percentage of stratification) and on the parameters of the periodic excitation. Utilizing empirical mode decomposition and numerical Hilbert transforms, we detect the existence of two distinct nonlinear phenomena in the periodically forced network; namely, (i) energy localization in the absorbing chain due to sustained 1:1 resonance capture leading to irreversible pulse redirection from the excited chain, and (ii) continuous energy exchanges in the form of nonlinear beats between the two chains in the absence of resonance capture. Our results extend previous findings of transient passive energy redirection in impulsively excited granular networks and demonstrate that steady state passive pulse redirection in these networks can be robustly achieved under periodic excitation.

Systematic features of mass yield curves in low-energy fission of actinides

International Nuclear Information System (INIS)

Nagame, Yuichiro

1999-01-01

excitation energy and angular distribution. (9) Based on the systematic analysis of the heavy asymmetric mass yield curves in thermal neutron- and proton-induced fission of actinides, and spontaneous fission of medium and heavy actinides, the relation between the fragment shell structure and the shape of the mass yield curves which reflect the final mass division process is discussed. (author)

Complex fragment emission at low and high excitation energy

International Nuclear Information System (INIS)

Moretto, L.G.

1986-08-01

Complex fragment emission has been certified as a compound nucleus process at low energies. An extension of the measurements to heavy ion reactions up to 50 MeV/u shows that most complex fragments are emitted by highly excited compound nuclei formed in incomplete fusion reactions. 12 refs., 26 figs

Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.

Science.gov (United States)

van Meer, R; Gritsenko, O V; Baerends, E J

2014-10-14

In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We highlight the advantages of (close to) exact Kohn-Sham orbitals and orbital energies for a simple description, very often as just a single orbital-to-orbital transition, of molecular excitations. Benchmark calculations are performed for the statistical average of orbital potentials (SAOP) functional for the potential [J. Chem. Phys. 2000, 112, 1344; 2001, 114, 652], which approximates the true Kohn-Sham potential much better than LDA, GGA, mGGA, and hybrid potentials do. An accurate Kohn-Sham potential does not only perform satisfactorily for calculated vertical excitation energies of both valence and Rydberg transitions but also exhibits appealing properties of the KS orbitals including occupied orbital energies close to ionization energies, virtual-occupied orbital energy gaps very close to excitation energies, realistic shapes of virtual orbitals, leading to straightforward interpretation of most excitations as single orbital transitions. We stress that such advantages are completely lost in time-dependent Hartree-Fock and partly in hybrid approaches. Many excitations and excitation energies calculated with local density, generalized gradient, and hybrid functionals are spurious. There is, with an accurate KS, or even the LDA or GGA potentials, nothing problematic about the "band gap" in molecules: the HOMO-LUMO gap is close to the first excitation energy (the optical gap).

Differential cross sections for electron-impact vibrational-excitation of tetrahydrofuran at intermediate impact energies

Energy Technology Data Exchange (ETDEWEB)

Do, T. P. T. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City (Viet Nam); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Konovalov, D. A.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville (Australia); Brunger, M. J., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia); Jones, D. B., E-mail: michael.brunger@flinders.edu.au, E-mail: darryl.jones@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia)

2015-03-28

We report differential cross sections (DCSs) for electron-impact vibrational-excitation of tetrahydrofuran, at intermediate incident electron energies (15-50 eV) and over the 10°-90° scattered electron angular range. These measurements extend the available DCS data for vibrational excitation for this species, which have previously been obtained at lower incident electron energies (≤20 eV). Where possible, our data are compared to the earlier measurements in the overlapping energy ranges. Here, quite good agreement was generally observed where the measurements overlapped.

Effect of magnetic field on the impurity binding energy of the excited ...

Indian Academy of Sciences (India)

The effect of external magnetic field on the excited state energies in a spherical quantum dot was studied. The impurity energy and binding energy were calculated using the variational method within the effective mass approximation and finite barrier potential. The results showed that by increasing the magnetic field, the ...

Effect of magnetic field on the impurity binding energy of the excited ...

Indian Academy of Sciences (India)

Abstract. The effect of external magnetic field on the excited state energies in a spher- ical quantum dot was studied. The impurity energy and binding energy were calculated using the variational method within the effective mass approximation and finite barrier potential. The results showed that by increasing the magnetic ...

Frequency and wavenumber selective excitation of spin waves through coherent energy transfer from elastic waves

OpenAIRE

Hashimoto, Yusuke; Bossini, Davide; Johansen, Tom H.; Saitoh, Eiji; Kirilyuk, Andrei; Rasing, Theo

2017-01-01

Using spin-wave tomography (SWaT), we have investigated the excitation and the propagation dynamics of optically-excited magnetoelastic waves, i.e. hybridized modes of spin waves and elastic waves, in a garnet film. By using time-resolved SWaT, we reveal the excitation dynamics of magnetoelastic waves through coherent-energy transfer between optically-excited pure-elastic waves and spin waves via magnetoelastic coupling. This process realizes frequency and wavenumber selective excitation of s...

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

International Nuclear Information System (INIS)

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

2007-01-01

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

Intermolecular Modes between LH2 Bacteriochlorophylls and Protein Residues: The Effect on the Excitation Energies.

Science.gov (United States)

Anda, André; De Vico, Luca; Hansen, Thorsten

2017-06-08

Light-harvesting system 2 (LH2) executes the primary processes of photosynthesis in purple bacteria; photon absorption, and energy transportation to the reaction center. A detailed mechanistic insight into these operations is obscured by the complexity of the light-harvesting systems, particularly by the chromophore-environment interaction. In this work, we focus on the effects of the protein residues that are ligated to the bacteriochlorophylls (BChls) and construct potential energy surfaces of the ground and first optically excited state for the various BChl-residue systems where we in each case consider two degrees of freedom in the intermolecular region. We find that the excitation energies are only slightly affected by the considered modes. In addition, we see that axial ligands and hydrogen-bonded residues have opposite effects on both excitation energies and oscillator strengths by comparing to the isolated BChls. Our results indicate that only a small part of the chromophore-environment interaction can be associated with the intermolecular region between a BChl and an adjacent residue, but that it may be possible to selectively raise or lower the excitation energy at the axial and planar residue positions, respectively.

Relative excitation functions for singly-excited and core-excited levels of S V--S IX populated by the beam-foil interaction

International Nuclear Information System (INIS)

Moenke, D.; Bengtsson, P.; Engstroem, L.; Hutton, R.; Jupen, C.; Kirm, M.; Westerlind, M.

1994-01-01

We have investigated the relative excitation functions for low-lying singly excited and low-lying core-excited levels in S V (S 4+ ) to S IX (S 8+ ) after beam-foil excitation using ions in the energy range 2--10 MeV. The spectral line intensities have been normalized to the same number of particles at each ion energy and corrections for the level lifetimes have been made. The overall accuracy of the measured relative excitation function at each energy and charge state is estimated to be better than 2%. A comparison of the relative excitation functions for singly excited and core-excited lines shows a difference in S VII, but not in S VI

Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet-triplet gaps

Science.gov (United States)

Brückner, Charlotte; Engels, Bernd

2017-01-01

Vertical and adiabatic singlet and triplet excitation energies of molecular p-type semiconductors calculated with various DFT functionals and wave-function based approaches are benchmarked against MS-CASPT2/cc-pVTZ reference values. A special focus lies on the singlet-triplet gaps that are very important in the process of singlet fission. Singlet fission has the potential to boost device efficiencies of organic solar cells, but the scope of existing singlet-fission compounds is still limited. A computational prescreening of candidate molecules could enlarge it; yet it requires efficient methods accurately predicting singlet and triplet excitation energies. Different DFT formulations (Tamm-Dancoff approximation, linear response time-dependent DFT, Δ-SCF) and spin scaling schemes along with several ab initio methods (CC2, ADC(2)/MP2, CIS(D), CIS) are evaluated. While wave-function based methods yield rather reliable singlet-triplet gaps, many DFT functionals are shown to systematically underestimate triplet excitation energies. To gain insight, the impact of exact exchange and correlation is in detail addressed.

The EDDA experiment: proton-proton elastic scattering excitation functions at intermediate energies

International Nuclear Information System (INIS)

Hinterberher, F.

1996-01-01

The EDDA experiment is designed to provide a high precision measurement of proton-proton elastic scattering excitation functions ranging from 0.5 to 2.5 GeV of (lab) incident kinetic energy. It is an internal target experiment utilizing the proton beam of the cooler synchrotron COSY operated by KFA Juelich. The excitation functions are measured during the acceleration ramp of COSY. (author)

The systematics of emerging nuclear energy concepts

International Nuclear Information System (INIS)

Harms, A.A.; Ligou, J.

1980-01-01

The basic systematics pertaining to emerging nuclear energy concepts are examined from a historical and categorical perspective. For this purpose a complementary formulation of the interdependence of the vital fission-fusion-acceleration processes is established and then developed to accommodate explicitly recent developments for advanced synergetic nuclear energy proposals. The papers presented at the conference which form these proceeding are shown to integrate well and thus ecluidate the generalized systematics of this formulation. (orig.) [de

Intermediate energy electron impact excitation of composite vibrational modes in phenol

Energy Technology Data Exchange (ETDEWEB)

Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física ‘Gleb Wataghin,’ Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, C.P. 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil); Silva, G. B. da [Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2015-05-21

We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

Performance of Popular XC-Functionals for the Description of Excitation Energies in GFP-Like Chromophore Models

DEFF Research Database (Denmark)

List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard; Rocha-Rinza, Tomás

2012-01-01

this task. We present an evaluation of the performance of commonly used XC-functionals for the prediction of excitation energies of GFP-like chromophores. In particular, we have considered the TD-DFT vertical excitation energies of chromophores displaying different charge states. We compare the quality...

Charge and energy dynamics in photo-excited poly(para-phenylenevinylene) systems

International Nuclear Information System (INIS)

Gisslen, L.; Johansson, A.; Stafstroem, S.

2004-01-01

We report results from simulations of charge and energy dynamics in poly(para-phenylenevinylene) (PPV) and PPV interacting with C 60 . The simulations were performed by solving the time-dependent Schroedinger equation and the lattice equation of motion simultaneously and nonadiabatically. The electronic system and the coupling of the electrons to the lattice were described by an extended three-dimensional version of the Su-Schrieffer-Heeger model, which also included an external electric field. Electron and lattice dynamics following electronic excitations at different energies have been simulated. The effect of additional lattice energy was also included in the simulations. Our results show that both exciton diffusion and transitions from high to lower lying excitations are stimulated by increasing the lattice energy. Also field induced charge separation occurs faster if the lattice energy is increased. This separation process is highly nonadiabatic and involves a significant rearrangement of the electron distribution. In the case of PPV coupled to C 60 , we observe a spontaneous charge separation. The separation time is in this case limited by the local concentration of C 60 molecules close to the PPV chain

Radiative transport and collisional transfer of excitation energy in Cs vapors mixed with Ar or He

International Nuclear Information System (INIS)

Vadla, Cedomil; Horvatic, Vlasta; Niemax, Kay

2003-01-01

This paper is a review (with a few original additions) on the radiative transport and collisional transfer of energy in laser-excited cesium vapors in the presence of argon or helium. Narrow-band excitation of lines with Lorentz, Doppler and Voigt profiles is studied in order to calculate effective rates for pumping of spectral lines with profiles comprising inhomogeneous broadening components. The radiative transport of excitation energy is considered, and a new, simple and robust, but accurate theoretical method for quantitative treatment of radiation trapping in relatively optically thin media is presented. Furthermore, comprehensive lists of experimental values for the excitation energy transfer cross-sections related to thermal collisions in Cs-Ar and Cs-He mixtures are given. Within the collected cross-section data sets, specific regularities with respect to the energy defect, as well as the temperature, are discerned. A particular emphasis is put on the radiative and collisional processes important for the optimization of resonance-fluorescence imaging atomic filters based on Cs-noble gas systems

A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

Science.gov (United States)

Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

2017-08-01

We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

Na(3p left-arrow 3s) excitation by impact of slow multiply charged ions

International Nuclear Information System (INIS)

Horvath, G.; Schweinzer, J.; Winter, H.; Aumayr, F.

1996-01-01

We present a systematic experimental and theoretical study of Na(3p left-arrow 3s) excitation by slow (v NaI with projectile ion charge state q is investigated. Due to the dominance of the competing electron capture channels at low collision energies E, the excitation cross sections deviate significantly from a commonly applied σ/q=f(E/q) cross-section scaling relation. copyright 1996 The American Physical Society

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.

Electron Energy Loss and One- and Two-Photon Excited SERS Probing of “Hot” Plasmonic Silver Nanoaggregates

DEFF Research Database (Denmark)

Kadkhodazadeh, Shima; Wagner, Jakob Birkedal; Joseph, Virginia

2013-01-01

in an optical experiment and electron energy loss intensity at energies corresponding to excitation wavelengths used for optical probing. This inverse relation exists independent on specific nanoaggregate geometries and is mainly controlled by the gap size between the particles forming the aggregate. The ratio...... between two- and one-photon excited SERS measured at different excitation wavelengths provides information about local fields in the hottest spots and their dependence on the photon energy. Our data verify experimentally the predicted increase of local optical fields in the hot spots with increasing wave...

Estimation of excitation forces for wave energy converters control using pressure measurements

Science.gov (United States)

Abdelkhalik, O.; Zou, S.; Robinett, R.; Bacelli, G.; Wilson, D.

2017-08-01

Most control algorithms of wave energy converters require prediction of wave elevation or excitation force for a short future horizon, to compute the control in an optimal sense. This paper presents an approach that requires the estimation of the excitation force and its derivatives at present time with no need for prediction. An extended Kalman filter is implemented to estimate the excitation force. The measurements in this approach are selected to be the pressures at discrete points on the buoy surface, in addition to the buoy heave position. The pressures on the buoy surface are more directly related to the excitation force on the buoy as opposed to wave elevation in front of the buoy. These pressure measurements are also more accurate and easier to obtain. A singular arc control is implemented to compute the steady-state control using the estimated excitation force. The estimated excitation force is expressed in the Laplace domain and substituted in the control, before the latter is transformed to the time domain. Numerical simulations are presented for a Bretschneider wave case study.

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

Science.gov (United States)

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

2010-06-01

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

Study of excitation energy sharing in heavy ion collisions as a function of their inelasticity

International Nuclear Information System (INIS)

Lott, B.

1986-01-01

The excitation energy sharing between the fragments of a heavy ion collision has been studied for quasi-elastic and deep inelastic mechanisms. A 32 S beam of 232 MeV incident energy has been used to bombard several targets (S, 58 Ni, 93 Nb). The evaporated charged particle multiplicities have been measured by inclusive measurements of the projectile-like nuclei and exclusive measurements of the two final nuclei. Evaporation calculations using the Hauser-Feshbach formalism allows us to deduce from the multiplicity measurements the projectile-like excitation energy. These results are compatible with the assumption of an equal sharing of excitation energies for quasi-elastic reaction products, and with the assumption of a mass ratio sharing for fully relaxed reaction products. Limiting values for the relaxation time of this mode have been deduced and are in agreement with predictions from the model developed by Randrup [fr

Interqubit coupling mediated by a high-excitation-energy quantum object

NARCIS (Netherlands)

Ashhab, S.; Niskanen, A.O.; Harrabi, K.; Nakamura, Y.; Picot, T.; De Groot, P.C.; Harmans, C.J.P.M.; Mooij, J.E.; Nori, F.

2008-01-01

We consider a system composed of two qubits and a high excitation energy quantum object used to mediate coupling between the qubits. We treat the entire system quantum mechanically and analyze the properties of the eigenvalues and eigenstates of the total Hamiltonian. After reproducing well known

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

Science.gov (United States)

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

Auditing energy use -a systematic approach for enhancing energy efficiency

International Nuclear Information System (INIS)

Ardhapnrkar, P.M.; Mahalle, A.M.

2005-01-01

Energy management is a critical activity in the developing as well as developed countries owing to constraints in the availability of primary energy resources and the increasing demand for energy from the industrial and non-industrial users. Energy consumption is a vital parameter that determines the economic growth of any country. An energy management system (EMS) can save money by allowing greater control over energy consuming equipment. The foundation for the energy program is the energy audit, which is the systematic study of factory or building to determine where and how well energy is being used. It is the nucleus of any successful energy saving program -it is tool, not a solution. Conventional energy conservation methods are mostly sporadic and lack a coordinated plan of action. Consequently only apparent systems are treated without the analysis of system interaction. Energy audit on the other hand, involves total system approach and aims at optimizing energy use efficiently for the entire plant. In the present paper a new approach to pursue energy conservation techniques is being discussed. The focus is mainly on the methodology of energy audit, energy use analysis, relating energy with the production, and reducing energy losses, etc. It is observe that with this systematic approach, if adopted, which consists of three essential segments namely capacity utilization fine-tuning of the equipment and technology up-gradation can result in phenomenal savings in the energy, building competitive edge for the industry. This approach along with commitment can provide the right impetus to reap the benefits of energy conservation on a sustained basis. (author)

General theory for environmental effects on (vertical) electronic excitation energies.

Science.gov (United States)

Schwabe, Tobias

2016-10-21

Almost 70 years ago, the first theoretical model for environmental effects on electronic excitation energies has been derived. Since then, several different interpretations and refined models have been proposed for the perichromic shift of a chromophore due to its surrounding medium. Some of these models are contradictory. Here, the contributing terms are derived within the framework of long-range perturbation theory with the least approximations so far. The derivation is based on a state-specific interpretation of the interaction energies and all terms can be identified with individual properties of either the chromophore or the surroundings, respectively. Further, the much debated contribution due to transition moments coupled to the environment can be verified in the form of a non-resonant excitonic coupling to the dynamic polarizabilities in the environment. These general insights should clarify discussions and interpretations of environmental effects on electronic excitations and should foster the development of new models for the computation of these effects.

Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments

Science.gov (United States)

Mester, Dávid; Nagy, Péter R.; Kállay, Mihály

2018-03-01

A reduced-cost implementation of the second-order algebraic-diagrammatic construction [ADC(2)] method is presented. We introduce approximations by restricting virtual natural orbitals and natural auxiliary functions, which results, on average, in more than an order of magnitude speedup compared to conventional, density-fitting ADC(2) algorithms. The present scheme is the successor of our previous approach [D. Mester, P. R. Nagy, and M. Kállay, J. Chem. Phys. 146, 194102 (2017)], which has been successfully applied to obtain singlet excitation energies with the linear-response second-order coupled-cluster singles and doubles model. Here we report further methodological improvements and the extension of the method to compute singlet and triplet ADC(2) excitation energies and transition moments. The various approximations are carefully benchmarked, and conservative truncation thresholds are selected which guarantee errors much smaller than the intrinsic error of the ADC(2) method. Using the canonical values as reference, we find that the mean absolute error for both singlet and triplet ADC(2) excitation energies is 0.02 eV, while that for oscillator strengths is 0.001 a.u. The rigorous cutoff parameters together with the significantly reduced operation count and storage requirements allow us to obtain accurate ADC(2) excitation energies and transition properties using triple-ζ basis sets for systems of up to one hundred atoms.

Compact alpha-excited sources of low energy x-rays

International Nuclear Information System (INIS)

Amlauer, K.; Tuohy, I.

1976-01-01

A discussion is given of the use of alpha emitting isotopes, such as 210 Po and 244 Cm, for the production of low energy x-rays (less than 5.9 keV). The design of currently available sources is described, and x-ray fluxes observed from various target materials are presented. Commercial applications of the alpha excitation technique are briefly discussed

An efficient method to calculate excitation energy transfer in light-harvesting systems: application to the Fenna-Matthews-Olson complex

International Nuclear Information System (INIS)

Ritschel, Gerhard; Roden, Jan; Eisfeld, Alexander; Strunz, Walter T

2011-01-01

A master equation derived from non-Markovian quantum state diffusion is used to calculate the excitation energy transfer in the photosynthetic Fenna-Matthews-Olson pigment-protein complex at various temperatures. This approach allows us to treat spectral densities that explicitly contain the coupling to internal vibrational modes of the chromophores. Moreover, the method is very efficient and as a result the transfer dynamics can be calculated within about 1 min on a standard PC, making systematic investigations w.r.t. parameter variations tractable. After demonstrating that our approach is able to reproduce the results of the numerically exact hierarchical equations of motion approach, we show how the inclusion of vibrational modes influences the transfer. (paper)

Anomalous behavior of 2+ excitations around 132Sn

International Nuclear Information System (INIS)

Terasaki, J.; Engel, J.; Nazarewicz, W.; Stoitsov, M.

2002-01-01

In certain neutron-rich Te isotopes, a decrease in the energy of the first excited 2 + state is accompanied by a decrease in the E2 strength to that state from the ground state, contradicting simple systematics and general intuition about quadrupole collectivity. We use a separable quadrupole-plus-pairing Hamiltonian and the quasiparticle random phase approximation to calculate energies, B(E2,0 + →2 + ) strengths, and g factors for the lowest 2 + states near 132 Sn (Z≥50). We trace the anomalous behavior in the Te isotopes to a reduced neutron pairing above the N=82 magic gap

Energy transfer and quenching processes of excited uranyl ion and lanthanide ions in solutions

International Nuclear Information System (INIS)

Yamamura, Tomoo; Tomiyasu, Hiroshi

1995-01-01

Deactivation processes of photoexcited uranyl ion by various lanthanide ions in aqueous solution were studied. Each lanthanide ions show different interaction with excited uranyl ion depending on its lowest excited energy level, the number of 4f electrons and the acid concentration of the solution. (author)

Intermediate energy cross sections for electron-impact vibrational-excitation of pyrimidine

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Ellis-Gibbings, L.; García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Nixon, K. L. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); School of Biology, Chemistry and Forensic Science, University of Wolverhampton, Wolverhampton WV1 1LY (United Kingdom); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-330 Juiz de Fora, Minas Gerais (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2015-09-07

We report differential cross sections (DCSs) and integral cross sections (ICSs) for electron-impact vibrational-excitation of pyrimidine, at incident electron energies in the range 15–50 eV. The scattered electron angular range for the DCS measurements was 15°–90°. The measurements at the DCS-level are the first to be reported for vibrational-excitation in pyrimidine via electron impact, while for the ICS we extend the results from the only previous condensed-phase study [P. L. Levesque, M. Michaud, and L. Sanche, J. Chem. Phys. 122, 094701 (2005)], for electron energies ⩽12 eV, to higher energies. Interestingly, the trend in the magnitude of the lower energy condensed-phase ICSs is much smaller when compared to the corresponding gas phase results. As there is no evidence for the existence of any shape-resonances, in the available pyrimidine total cross sections [Baek et al., Phys. Rev. A 88, 032702 (2013); Fuss et al., ibid. 88, 042702 (2013)], between 10 and 20 eV, this mismatch in absolute magnitude between the condensed-phase and gas-phase ICSs might be indicative for collective-behaviour effects in the condensed-phase results.

Systematics on the low-lying spectra in N = 78 ~ 80 isotones

International Nuclear Information System (INIS)

Cheng, Y.Y.; Zhang, S.Q.; Li, X.Q.

2014-01-01

Combining the new spectroscopy results of 144 Tb and previous spectroscopy studies of neighboring nuclei, a systematic investigation on the low-lying spectra in N = 78 ~ 80 isotones is performed. Good systematics have been found for the coupling patterns which couple the odd nucleon(s), such as πh 11/2 , νh 11/2 —1 , νh 11/2 2 , νh 11/2 —2 , νh 11/2 —1 , to the 2 + , 4 + , 6 + and 3 - core excitations. It is found that the relative excitation energies of the states formed by coupling h 11/2 proton(s) to the 2 + , 4 + core excitations are pushed up, in contrast with those formed by coupling h 11/2 neutron hole(s) to the 2 + , 4 + core excitations, which are pulled down. According to the systematics, the interpretation that the 17/2 + states observed in 141 Sm and 143 Gd are the fully aligned member of coupling the odd h 11/2 neutron hole to the octupole 3 - core excitation, is explored to the isotones 145 Dy, 142 Eu, and 144 Tb. (author)

Scaling laws and higher-order effects in Coulomb excitation of neutron halo nuclei

International Nuclear Information System (INIS)

Typel, S.; Baur, G.

2008-01-01

Essential properties of halo nuclei can be described in terms of a few low-energy constants. For neutron halo nuclei, analytical results can be found for wave functions and electromagnetic transition matrix elements in simple but well-adapted models. These wave functions can be used to study nuclear reactions; an especially simple and instructive example is Coulomb excitation. A systematic expansion in terms of small parameters can be given. We present scaling laws for excitation amplitudes and cross-sections. The results can be used to analyze experiments like 11 Be Coulomb excitation. They also serve as benchmark tests for more involved reaction theories. (orig.)

Explanation of the observed trend in the mean excitation energy of a target as determined using several projectiles

International Nuclear Information System (INIS)

Cabrera-Trujillo, R.; Sabin, J.R.; Oddershede, J.

2003-01-01

Recently, Porter observed [L.E. Porter, Int. J. Quantum Chem. 90, 684 (2002)] that the mean excitation energy and stopping cross section of a target, obtained from fitting experimental data at given projectile charge to a modified Bethe-Block theory, gives projectile dependent results. The main result of his work is that there is a trend for the inferred target mean excitation energy, to decrease as the projectile atomic number increases. However, this result is inconsistent with the usual definition of the mean excitation energy as a function of target excitation properties only. Here we present an explanation of Porter's results based on the Bethe theory extended to take projectile electronic structure explicitly into account

Study of high-j neutron excitations outside 136Xe

Science.gov (United States)

Talwar, R.; Kay, B. P.; Mitchell, A. J.; Adachi, S.; Entwisle, J. P.; Fujita, Y.; Gey, G.; Noji, S.; Ong, H. J.; Schiffer, J. P.; Tamii, A.

2017-09-01

The character of single-neutron excitations outside of N = 82 has been studied using nucleon transfer reactions in terms of the energy centroid of their strength as well as the fragmentation of this strength among the actual states of the nucleus. However, extending the systematic study of the N = 83 isotones to 137Xe has been challenging due to xenon being a gas at room temperature. Though several attempts have been made, a quantitative determination of the spectroscopic factors for the neutron 9/2- and 13/2+ excitations in 137Xe is still lacking. In the present work, we report on a study of the 136Xe(α,3He)137Xe reaction carried out at 100 MeV to probe the l = 5 , 9/2- and l = 6 , 13/2+ single-neutron excitations. The experimental technique and results will be presented discussing them in context of the evolution of these single-neutron excitations and the influence of the tensor interaction on the neutron single-particle states as the proton orbits are filling. This work has been supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Contract Number DE-AC02-06CH11357, the Australian Research Council Discovery Project 120104176, and the UK Science and Technology Facilities.

Low-energy heavy-atom impact as a tool for production and classification of doubly excited states

International Nuclear Information System (INIS)

Andersen, N.

1985-01-01

Low-energy heavy-atom impact may be an efficient way of preferentially populating doubly excited levels. Using neon as an example, this paper discusses why this is so. The similarity of the structure of the energy level diagrams for doubly excited neon and the level scheme for neutral magnesium is pointed out, suggesting that collective quantum numbers may describe the electron pair. (orig.)

Raman active high energy excitations in URu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Buhot, Jonathan [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); High Field Magnet Laboratory (HFML - EMFL), Institute for Molecules and Materials, Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands); Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); Piekarz, Przemysław [Institute of Nuclear Physics, Polish Academy of Sciences, 31-342 Krakòw (Poland); Lapertot, Gérard [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Aoki, Dai [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Méasson, Marie-Aude, E-mail: marie-aude.measson@univ-paris-diderot.fr [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France)

2017-02-01

We have performed Raman scattering measurements on URu{sub 2}Si{sub 2} single crystals on a large energy range up to ∼1300 cm{sup −1} and in all the Raman active symmetries as a function of temperature down to 15 K. A large excitation, active only in the E{sub g} symmetry, is reported. It has been assigned to a crystal electric field excitation on the Uranium site. We discuss how this constrains the crystal electric field scheme of the Uranium ions. Furthermore, three excitations in the A{sub 1g} symmetry are observed. They have been associated to double Raman phonon processes consistently with ab initio calculations of the phonons dispersion.

High energy magnetic excitations

International Nuclear Information System (INIS)

Endoh, Yasuo

1988-01-01

The report emphasizes that the current development in condensed matter physics opens a research field fit to inelastic neutron scattering experiments in the eV range which is easilly accessed by spallation neutron sources. Several important subjects adopted at thermal reactors are shown. It is desired to extend the implementation of the spectroscopic experiments for investigation of higher energy magnetic excitations. For La 2 CuO 4 , which is the mother crystal of the first high Tc materials found by Bednortz and Muller, it seems to be believed that the magnetism is well characterized by the two-dimensional Heisenberg antiferromagnetic Hamiltonian, and it is widely accepted that the magnetism is a most probable progenitor of high Tc superconductors. The unusual properties of spin correlations in this crystal have been studied extensively by standard neutron scattering techniques with steady neutrons at BNL. FeSi is not ordered magnetically but shows a very unique feature of temperature induced magnetism, which also has been studied extensively by using the thermal neutron scattering technique at BNL. In these experiments, polarized neutrons are indispensable to extract the clean magnetic components out of other components of non-magnetic scattering. (N.K.)

Probing shape coexistence in neutron-deficient $^{72}$Se via low-energy Coulomb excitation

CERN Multimedia

We propose to study the evolution of nuclear structure in neutron-­deficient $^{72}$Se by performing a low-­energy Coulomb excitation measurement. Matrix elements will be determined for low-­lying excited states allowing for a full comparison with theoretical predictions. Furthermore, the intrinsic shape of the ground state, and the second 0$^{+}$ state, will be investigated using the quadrupole sum rules method.

How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study.

Science.gov (United States)

Komoto, Keenan T; Kowalczyk, Tim

2016-10-06

To support the development and characterization of chromophores with targeted photophysical properties, excited-state electronic structure calculations should rapidly and accurately predict how derivatization of a chromophore will affect its excitation and emission energies. This paper examines whether a time-independent excited-state density functional theory (DFT) approach meets this need through a case study of BODIPY chromophore photophysics. A restricted open-shell Kohn-Sham (ROKS) treatment of the S 1 excited state of BODIPY dyes is contrasted with linear-response time-dependent density functional theory (TDDFT). Vertical excitation energies predicted by the two approaches are remarkably different due to overestimation by TDDFT and underestimation by ROKS relative to experiment. Overall, ROKS with a standard hybrid functional provides the more accurate description of the S 1 excited state of BODIPY dyes, but excitation energies computed by the two methods are strongly correlated. The two approaches also make similar predictions of shifts in the excitation energy upon functionalization of the chromophore. TDDFT and ROKS models of the S 1 potential energy surface are then examined in detail for a representative BODIPY dye through molecular dynamics sampling on both model surfaces. We identify the most significant differences in the sampled surfaces and analyze these differences along selected normal modes. Differences between ROKS and TDDFT descriptions of the S 1 potential energy surface for this BODIPY derivative highlight the continuing need for validation of widely used approximations in excited state DFT through experimental benchmarking and comparison to ab initio reference data.

Excited-state density functional theory

International Nuclear Information System (INIS)

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

2012-01-01

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

Multireference excitation energies for bacteriochlorophylls A within light harvesting system 2

DEFF Research Database (Denmark)

Anda, Andre; Hansen, Thorsten; De Vico, Luca

2016-01-01

Light-harvesting system 2 (LH2) of purple bacteria is one of the most popular antenna complexes used to study Nature's way of collecting and channeling solar energy. The dynamics of the absorbed energy is probed by ultrafast spectroscopy. Simulation of these experiments relies on fitting a range...... bacteriochlorophylls in LH2. We find that the excitation energies vary among the bacteriochlorophyll monomers and that they are regulated by the curvature of the macrocycle ring and the dihedral angle of an acetyl moiety. Increasing the curvature lifts the ground state energy, which causes a red shift...

Intermediate-energy differential and integral cross sections for vibrational excitation in α-tetrahydrofurfuryl alcohol

International Nuclear Information System (INIS)

Duque, H. V.; Chiari, L.; Jones, D. B.; Pettifer, Z.; Silva, G. B. da; Limão-Vieira, P.; Blanco, F.; García, G.; White, R. D.; Lopes, M. C. A.; Brunger, M. J.

2014-01-01

Differential and integral cross section measurements, for incident electron energies in the 20–50 eV range, are reported for excitation of several composite vibrational modes in α-tetrahydrofurfuryl alcohol (THFA). Optimisation and frequency calculations, using GAUSSIAN 09 at the B3LYP/aug-cc-pVDZ level, were also undertaken for the two most abundant conformers of THFA, with results being reported for their respective mode classifications and excitation energies. Those calculations assisted us in the experimental assignments of the composite features observed in our measured energy loss spectra. There are, to the best of our knowledge, no other experimental or theoretical data currently available in the literature against which we can compare the present results

Intermediate-energy differential and integral cross sections for vibrational excitation in α-tetrahydrofurfuryl alcohol

Energy Technology Data Exchange (ETDEWEB)

Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Chiari, L.; Jones, D. B.; Pettifer, Z. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Blanco, F. [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, G. [Instituto de Física Fundamental, CSIC, Madrid E-28006 (Spain); White, R. D. [School of Engineering and Physical Sciences, James Cook University, Townsville, 4810 Queensland (Australia); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia)

2014-06-07

Differential and integral cross section measurements, for incident electron energies in the 20–50 eV range, are reported for excitation of several composite vibrational modes in α-tetrahydrofurfuryl alcohol (THFA). Optimisation and frequency calculations, using GAUSSIAN 09 at the B3LYP/aug-cc-pVDZ level, were also undertaken for the two most abundant conformers of THFA, with results being reported for their respective mode classifications and excitation energies. Those calculations assisted us in the experimental assignments of the composite features observed in our measured energy loss spectra. There are, to the best of our knowledge, no other experimental or theoretical data currently available in the literature against which we can compare the present results.

Influence of primary fragment excitation energy and spin distributions on fission observables

Science.gov (United States)

Litaize, Olivier; Thulliez, Loïc; Serot, Olivier; Chebboubi, Abdelaziz; Tamagno, Pierre

2018-03-01

Fission observables in the case of 252Cf(sf) are investigated by exploring several models involved in the excitation energy sharing and spin-parity assignment between primary fission fragments. In a first step the parameters used in the FIFRELIN Monte Carlo code "reference route" are presented: two parameters for the mass dependent temperature ratio law and two constant spin cut-off parameters for light and heavy fragment groups respectively. These parameters determine the initial fragment entry zone in excitation energy and spin-parity (E*, Jπ). They are chosen to reproduce the light and heavy average prompt neutron multiplicities. When these target observables are achieved all other fission observables can be predicted. We show here the influence of input parameters on the saw-tooth curve and we discuss the influence of a mass and energy-dependent spin cut-off model on gamma-rays related fission observables. The part of the model involving level densities, neutron transmission coefficients or photon strength functions remains unchanged.

Empirical regularities in the excitation cross-section behavior of the lead atom (transitions from energy levels of 6pnd configurations)

Science.gov (United States)

Smirnov, Yu M.

2018-03-01

Electron-impact excitation of lead atom levels belonging to 6pnd configurations has been studied in experiment. One hundred two excitation cross-sections have been measured at an incident electron energy of 50 eV. Eleven optical excitation functions (OEFs) have been recorded in the exciting electron energy range of E = 0-200 eV. The resulting findings were used to study the excitation cross-sections dependence on the principal quantum number of upper levels for thirteen PbI spectral series.

Measurements of vibrational excitation of N2, CO, and NO by low energy proton impact

International Nuclear Information System (INIS)

Krutein, J.; Linder, F.

1979-01-01

Differential scattering experiments are reported for proton impact on N 2 , CO, and NO in the energy range E/sub lab/=30--80 eV. The measurements include the range of very small scattering angles around 0 0 as well as the rainbow region. The vibrationally resolved energy-loss spectra show a relatively low vibrational inelasticity for all three systems. Differential cross sections, transition probabilities, and the mean vibrational energy transfer are presented. Rotational excitation is indicated by the broadening of the energy-loss peaks which is most significant for H + --NO. The small-angle scattering data for vibrational excitation in CO show good agreement with the impact parameter theory using the known long-range interactions for this system

Time-resolved stimulated emission depletion and energy transfer dynamics in two-photon excited EGFP

Science.gov (United States)

Masters, T. A.; Robinson, N. A.; Marsh, R. J.; Blacker, T. S.; Armoogum, D. A.; Larijani, B.; Bain, A. J.

2018-04-01

Time and polarization-resolved stimulated emission depletion (STED) measurements are used to investigate excited state evolution following the two-photon excitation of enhanced green fluorescent protein (EGFP). We employ a new approach for the accurate STED measurement of the hitherto unmeasured degree of hexadecapolar transition dipole moment alignment ⟨α40 ⟩ present at a given excitation-depletion (pump-dump) pulse separation. Time-resolved polarized fluorescence measurements as a function of pump-dump delay reveal the time evolution of ⟨α40 ⟩ to be considerably more rapid than predicted for isotropic rotational diffusion in EGFP. Additional depolarization by homo-Förster resonance energy transfer is investigated for both ⟨α20 ⟩ (quadrupolar) and ⟨α40 ⟩ transition dipole alignments. These results point to the utility of higher order dipole correlation measurements in the investigation of resonance energy transfer processes.

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

Generating Excitement: Build Your Own Generator to Study the Transfer of Energy

Science.gov (United States)

Fletcher, Kurt; Rommel-Esham, Katie; Farthing, Dori; Sheldon, Amy

2011-01-01

The transfer of energy from one form to another can be difficult to understand. The electrical energy that turns on a lamp may come from the burning of coal, water falling at a hydroelectric plant, nuclear reactions, or gusts of wind caused by the uneven heating of the Earth. The authors have developed and tested an exciting hands-on activity to…

Effect of neutron irradiation on the density of low-energy excitations in vitreous silica

International Nuclear Information System (INIS)

Smith, T.L.

1979-01-01

Systematic low-temperature measurements of the thermal conductivity, specific heat, dielectric constant, and temperature-dependent ultrasound velocity were made on a single piece of vitreous silica. These measurements were repeated after fast neutron irradiation of the material. It was found that the irradiation produced changes of the same relative magnitude in the low-temperature excess specific heat C/sub ex/, the thermal conductivity kappa, and the anomalous temperature dependence of the ultrasound velocity Δv/v. A corresponding change in the temperature dependent dielectric constant was not observed. It is therefore likely that kappa and Δv/v are determined by the same localized excitations responsible for C/sub ex/, but the temperature dependence of the dielectric constant may have a different, though possibly related, origin. A consistent account for the measured C/sub ex/, kappa, and Δv/v of unirradiated silica is given by the tunneling-state model with a single, energy-dependent density of states. Changes in these three properties due to irradiation can be explained by altering only the density of tunneling states incorporated in the model

Excitation of vibrational quanta in furfural by intermediate-energy electrons

Science.gov (United States)

Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

2015-12-01

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

Excitation of vibrational quanta in furfural by intermediate-energy electrons

Energy Technology Data Exchange (ETDEWEB)

Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Lopes, M. C. A. [Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, MG (Brazil); Costa, R. F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, 09210-580 São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, 13083-859 São Paulo (Brazil); García, G. [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); and others

2015-12-14

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

Excitation of vibrational quanta in furfural by intermediate-energy electrons

International Nuclear Information System (INIS)

Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.

2015-01-01

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°–90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule

Molecular approaches to solar energy conversion: the energetic cost of charge separation from molecular-excited states.

Science.gov (United States)

Durrant, James R

2013-08-13

This review starts with a brief overview of the technological potential of molecular-based solar cell technologies. It then goes on to focus on the core scientific challenge associated with using molecular light-absorbing materials for solar energy conversion, namely the separation of short-lived, molecular-excited states into sufficiently long-lived, energetic, separated charges capable of generating an external photocurrent. Comparisons are made between different molecular-based solar cell technologies, with particular focus on the function of dye-sensitized photoelectrochemical solar cells as well as parallels with the function of photosynthetic reaction centres. The core theme of this review is that generating charge carriers with sufficient lifetime and a high quantum yield from molecular-excited states comes at a significant energetic cost-such that the energy stored in these charge-separated states is typically substantially less than the energy of the initially generated excited state. The role of this energetic loss in limiting the efficiency of solar energy conversion by such devices is emphasized, and strategies to minimize this energy loss are compared and contrasted.

How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation.

Science.gov (United States)

Sun, Jin; Li, Guang; Liang, WanZhen

2015-07-14

A real-time time-dependent density functional theory coupled with the classical electrodynamics finite difference time domain technique is employed to systematically investigate the optical properties of hybrid systems composed of silver nanoparticles (NPs) and organic adsorbates. The results demonstrate that the molecular absorption spectra throughout the whole energy range can be enhanced by the surface plasmon resonance of Ag NPs; however, the absorption enhancement ratio (AER) for each absorption band differs significantly from the others, leading to the quite different spectral profiles of the hybrid complexes in contrast to those of isolated molecules or sole NPs. Detailed investigations reveal that the AER is sensitive to the energy gap between the molecular excitation and plasmon modes. As anticipated, two separate absorption bands, corresponding to the isolated molecules and sole NPs, have been observed at a large energy gap. When the energy gap approaches zero, the molecular excitation strongly couples with the plasmon mode to form the hybrid exciton band, which possesses the significantly enhanced absorption intensity, a red-shifted peak position, a surprising strongly asymmetric shape of the absorption band, and the nonlinear Fano effect. Furthermore, the dependence of surface localized fields and the scattering response functions (SRFs) on the geometrical parameters of NPs, the NP-molecule separation distance, and the external-field polarizations has also been depicted.

De-excitation gamma-ray technique for improved resolution in intermediate energy photonuclear reactions

International Nuclear Information System (INIS)

Kuzin, A.; Thompson, M.N.; Rassool, R.; Adler, J.O.; Fissum, K.; Issaksson, L.; Ruijter, H.; Schroeder, B.; Annand, J.R.M.; McGeorge, J.C.; Crawford, G.I.; Gregel, J.

1997-01-01

The 12 C (γ,p) reaction was studied. The experiment was done at the MAX Laboratory of Lund University, using tagged photons with energy between 50 and 70 MeV and natural carbon targets. It has been possible to detect γ-ray emitted from the residual nucleus, in coincidence with photoprotons leading to the excited residual state. The 200 KeV gamma-ray resolution permitted the identification of the residual states and allowed off-line cuts to be made in order to identify the excitation region in 11 B from what particular de-excitation gamma-ray were seen. 9 refs., 1 tab., 3 figs

Electron scattering by CO2: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy

International Nuclear Information System (INIS)

Thirumalai, D.; Onda, K.; Truhlar, D.G.

1981-01-01

Coupled-channels calculations based on an effective potential are presented for electron scattering by CO 2 at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent

Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

DEFF Research Database (Denmark)

Sauer, Stephan P. A.; Pitzner-Frydendahl, Henrik Frank; Buse, Mogens

2015-01-01

methods, the original SOPPA method as well as SOPPA(CCSD) and RPA(D) in the calculation of vertical electronic excitation energies and oscillator strengths is investigated for a large benchmark set of 28 medium-size molecules with 139 singlet and 71 triplet excited states. The results are compared...

Simple systematization of vibrational excitation cross-section calculations for resonant electron-molecule scattering in the boomerang and impulse models.

Science.gov (United States)

Sarma, Manabendra; Adhikari, S; Mishra, Manoj K

2007-01-28

Vibrational excitation (nu(f), where psi(nu(i))(R,t) approximately =e(-iH(A(2))-(R)t/h phi(nu(i))(R) with time evolution under the influence of the resonance anionic Hamiltonian H(A(2) (-))(A(2) (-)=N(2)(-)/H(2) (-)) implemented using Lanczos and fast Fourier transforms. The target (A(2)) vibrational eigenfunctions phi(nu(i))(R) and phi(nu(f))(R) are calculated using Fourier grid Hamiltonian method applied to potential energy (PE) curves of the neutral target. Application of this simple systematization to calculate vibrational structure in e-N(2) and e-H(2) scattering cross-sections provides mechanistic insights into features underlying presence/absence of structure in e-N(2) and e-H(2) scattering cross-sections. The results obtained with approximate PE curves are in reasonable agreement with experimental/calculated cross-section profiles, and cross correlation functions provide a simple demarcation between the boomerang and impulse models.

Lattice Boltzmann simulation for the energy and entropy of excitable systems

Institute of Scientific and Technical Information of China (English)

Deng Min-Yi; Tang Guo-Ning; Kong Ling-Jiang; Liu Mu-Ren

2011-01-01

The internal energy and the spatiotemporal entropy of excitable systems are investigated with the lattice Boltzmann method. The numerical results show that the breakup of spiral wave is attributed to the inadequate supply of energy, i.e., the internal energy of system is smaller than the energy of self-sustained spiral wave. It is observed that the average internal energy of a regular wave state reduces with its spatiotemporal entropy decreasing. Interestingly, although the energy difference between two regular wave states is very small, the different states can be distinguished obviously due to the large difference between their spatiotemporal entropies. In addition, when the unstable spiral wave converts into the spatiotemporal chaos, the internal energy of system decreases, while the spatiotemporal entropy increases, which behaves as the thermodynamic entropy in an isolated system.

Luminescence of the SrCl2:Pr crystals under high-energy excitation

International Nuclear Information System (INIS)

Antonyak, O.T.; Voloshinovskii, A.S.; Vistovskyy, V.V.; Stryganyuk, G.B.; Kregel, O.P.

2014-01-01

The present research was carried out in order to elucidate the mechanisms of energy transfer from the crystal lattice to Pr 3+ ions in SrCl 2 . The luminescence excitation and emission spectra as well as luminescence kinetics of the SrCl 2 :Pr single crystals containing 0.2 mol% Pr were investigated at 300 and 10 K using the vacuum ultraviolet (VUV) synchrotron radiation. The X-ray excited luminescence spectra of the SrCl 2 :Pr (C Pr =0.2 and 0.5 mol%) and SrCl 2 :Pr, K (C Pr =1.5 mol%; C K =1.5 mol%) crystals were studied at 294 and 80 K. Under optical excitation of the samples in the Pr 3+ absorption bands, there were observed five fast ultraviolet emissions assigned to the 4f 1 5d→4f 2 transitions, and two long-wave bands corresponding to the f–f transitions. Furthermore, the intrinsic emission bands of SrCl 2 were observed at 10 K. The X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal containing 0.2 mol% Pr, besides intrinsic emission band near 400 nm, has got a long-wave band at about 490 nm of the Pr 3+ centers. There were not observed any emission bands of the Pr 3+ centers corresponding to the 4f 1 5d–4f 2 transitions in the X-ray excited luminescence spectrum of the SrCl 2 :Pr crystal. The possible mechanisms of energy transfer from the SrCl 2 matrix to the Pr 3+ centers are discussed. -- Highlights: • Spectral-luminescent properties of SrCl 2 :Pr have been investigated. • The identification of emission 4f–4f and 5d–4f bands of Pr 3+ ions was performed. • Adding of potassium prevents clustering of the Pr 3+ centers in the SrCl 2 :Pr, K crystals. • Under X-ray excitation at 80–300 K only Pr 3+ 4f–4f and intrinsic emission is observed

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

International Nuclear Information System (INIS)

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

1991-01-01

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

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

Science.gov (United States)

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

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.

Superconducting qubit in a nonstationary transmission line cavity: Parametric excitation, periodic pumping, and energy dissipation

Energy Technology Data Exchange (ETDEWEB)

Zhukov, A.A. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); National Research Nuclear University (MEPhI), 115409 Moscow (Russian Federation); Shapiro, D.S., E-mail: shapiro.dima@gmail.com [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); V.A. Kotel' nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 125009 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700 (Russian Federation); National University of Science and Technology MISIS, 119049 Moscow (Russian Federation); Remizov, S.V. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); V.A. Kotel' nikov Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 125009 Moscow (Russian Federation); Pogosov, W.V. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700 (Russian Federation); Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, 125412 Moscow (Russian Federation); Lozovik, Yu.E. [N.L. Dukhov All-Russia Research Institute of Automatics, 127055 Moscow (Russian Federation); National Research Nuclear University (MEPhI), 115409 Moscow (Russian Federation); Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700 (Russian Federation); Institute of Spectroscopy, Russian Academy of Sciences, 142190 Moscow Region, Troitsk (Russian Federation)

2017-02-12

We consider a superconducting qubit coupled to the nonstationary transmission line cavity with modulated frequency taking into account energy dissipation. Previously, it was demonstrated that in the case of a single nonadiabatical modulation of a cavity frequency there are two channels of a two-level system excitation which are due to the absorption of Casimir photons and due to the counterrotating wave processes responsible for the dynamical Lamb effect. We show that the parametric periodical modulation of the resonator frequency can increase dramatically the excitation probability. Remarkably, counterrotating wave processes under such a modulation start to play an important role even in the resonant regime. Our predictions can be used to control qubit-resonator quantum states as well as to study experimentally different channels of a parametric qubit excitation. - Highlights: • Coupled qubit-resonator system under the modulation of a resonator frequency is considered. • Counterrotating terms of the Hamiltonian are of importance even in the resonance. • Qubit excited state population is highest if driving frequency matches dressed-state energy.

Excitation and dissociation of molecules by low-energy (0-15 eV) electrons

International Nuclear Information System (INIS)

Verhaart, G.J.

1980-01-01

The author deals with excitation and dissociation processes which result from the interaction between low-energy (0.15 eV) electrons and molecules. Low-energy electron-impact spectroscopy is used to gain a better knowledge of the electronic structure of halomethanes, ethylene and some of its halogen substituted derivatives, and some more complex organic molecules. (Auth.)

Vibrational and electronic excitation of hexatriacontane thin films by low energy electron impact

International Nuclear Information System (INIS)

Vilar, M.R.; Schott, M.; Pfluger, P.

1990-01-01

Thin polycrystalline films of hexatriacontane (HTC) were irradiated with low energy (E=0.5--15 eV) electrons, and off-specular backscattered electron spectra were measured. Below E∼7 eV, single and multiple vibrational excitations only are observed, which relax the electrons down to the bottom of the HTC conduction band. Due to the negative electron affinity of HTC, thermal electrons are emitted into vacuum. Structure in the backscattered electron current at kinetic energies about 1.5 and 4 eV are associated to conduction band density of states. Above E∼7 eV, the dominant losses correspond to electronic excitations, excitons, or above a threshold (energy of the electron inside the HTC film) at 9.2±0.1 eV, electron--hole pair generation. The latter process is very efficient and reaches a yield of the order of one ∼11 eV. Evidence for chemical reaction above E∼4 eV is observed

Distribution of radiative strength with excitation energy: the E1 and M1 giant resonances

International Nuclear Information System (INIS)

Brown, G.E.; Speth, J.

1979-01-01

Calculations of the giant dipole resonance in the particle-hole model, employing empirical values for the unperturbed particle and hole energies, have been unsuccessful in pushing the dipole state to a sufficiently high energy. it is argued that unperturbed levels correspondign to an effective mass of m*/m approx. 0.6 to 0.7 should be employed. The couplings of particles and holes to vibrations are the crucial ingredients in these considerations. More generally, it is argued that the effective mass relevant to excitations near the Fermi surface is that corresponding to empirical single-particle levels, m*/m greater than or equal to 1.0. For particle-hole excitations above the Fermi surface, it is a decreasing function of excitation energy, reaching the above values 0.6 to 0.7 for E greater than or equal to 2 dirac constant/b omega, dirac constant/sub omega/ being the shell spacing. This has the consequence of spreading out the M1 strength. A new interpretation of experimental strengths is proposed

Optical energy transport and interactions between the excitations in a coumarin-perylene bisimide dendrimer

NARCIS (Netherlands)

Augulis, Ramunas; Pugzlys, Audrius; Hurenkamp, Johannes; Feringa, Ben L.; van Esch, Jan H.; van Loosdrecht, Paul H. M.

2007-01-01

Energy transfer properties of novel coumarin-perylene bisimide dendrimer are studied by means of steady state and time-resolved UV/vis spectroscopy. At low donor excitation density fast (transfer rate similar to 10 ps(-1)) and efficient (quantum yield similar to 99.5%) donor-acceptor energy transfer

Micromagnetic simulation of energy consumption and excited eigenmodes in elliptical nanomagnetic switches

International Nuclear Information System (INIS)

Carlotti, G.; Madami, M.; Gubbiotti, G.; Tacchi, S.

2014-01-01

Sub-200 nm patterned magnetic dots are key elements for the design of magnetic switches, memory cells or elementary units of nanomagnetic logic circuits. In this paper, we analyse by micromagnetic simulations the magnetization reversal, the dissipated energy and the excited spin eigenmodes in bistable magnetic switches, consisting of elliptical nanodots with 100×60 nm lateral dimensions. Two different strategies for reversal are considered and the relative results compared: (i) the irreversible switching obtained by the application of an external field along the easy axis, in the direction opposite to the initial magnetization; (ii) the precessional switching accomplished by the application of a short magnetic field pulse, oriented perpendicular to the initial magnetization direction. The obtained results are discussed in terms of deviation from the macrospin behavior, energy dissipation and characteristics of the spectrum of spin eigenmodes excited during the magnetization reversal process

X-ray yields by low energy heavy ion excitation in alkali halide solid targets

International Nuclear Information System (INIS)

Kurup, M.B.; Prasad, K.G.; Sharma, R.P.

1981-01-01

Solid targets of the alkali halides KCl, NaCl and KBr are bombarded with ion beams of 35 Cl + , 40 Ar + and 63 Cu + in the energy range 165 keV to 320 keV. The MO and characteristic K X-ray yields resulting from the ion-atom collision have been systematically studied. Both MO and Cl K X-ray yields are enhanced by factors 3.5 and 2 respectively in KCl targets as compared to that in NaCl when bombarded with either Cl + or Ar + projectiles. An intercomparison of MO and K X-ray yields for a given projectile-target combination has shown that the latter increases ten times faster than the former as the energy of the projectile is increased from 165 to 320 keV indicating a correspondingly stronger velocity dependence of the K X-ray production process. The X-ray yields observed in the symmetric Cl-Cl collision are identical to those observed in the asymmetric Ar-Cl collision for the same projectile velocities in both KCl and NaCl targets. It is inferred that the multiple ionization of the projectile resulting in an increase in the binding energy of its inner shells offsets the expected enhancement in the X-ray yields in a symmetric collision. The same projectiles, Ar or Cl, incident on KBr targets have produced only Br L X-rays. Using substantially heavier projectiles than the target atoms (Na, K and Cl), like 63 Cu + ions, the inner shell excitation by recoiling atoms is shown. (orig.)

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

International Nuclear Information System (INIS)

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

1985-01-01

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

Determination of r Factor of Kalbach-Mann Systematics for Energy Balance

International Nuclear Information System (INIS)

Zhang Jingshang

2008-01-01

Kalbach-Mann systematics is a very useful formula to discrete the double-differential cross sections of emitted particles. However, the energy balance by using this systematics is still a task to be studied. In the form of Legendre polynomial expansion the energy balance has been proved analytically. In terms of this approach, the formula to determine the pre-equilibrium fraction r factor of Kalbach-Mann systematics has been obtained for keeping energy balance strictly. This formula could be straightforwardly applied for describing the double-differential cross sections of all projectile types in the continuum spectrum emissions. It indicates that Legendre expansion coefficient with l = 1 is the key term in the energy balance

35Cl + 12C asymmetrical fission excitation functions

International Nuclear Information System (INIS)

Beck, C.; Mahboub, D.; Nouicer, R.; Freeman, R.M.; Haas, F.; Youlal, M.; Matsuse, T.; Sanders, S.J.

1996-04-01

The fully energy-damped yields from the 35 Cl + 12 C reaction have been systematically investigated using particle-particle coincidence techniques at a 35 Cl bombarding energy of ∼ 8 MeV/nucleon. The fragment-fragment correlation data show that the majority of events arises from a binary-decay process with rather large numbers of secondary light-charged particles emitted from the two excited exit fragments. No evidence is observed for ternary breakup events. The binary-process results of the present measurement, along with those of earlier, inclusive experimental data obtained at several lower bombarding energies are compared with predictions of two different kinds of statistical model calculations. The methods give comparable predictions and are both in good agreement with the experimental results thus confirming the fusion-fission origin of the fully-damped yields. (author)

Neutron-scattering study of low-energy excitations in triphenyl phosphite

CERN Document Server

Mayer, J; Massalska-Arodz, M; Janik, J A; Natkaniec, I; Steinsvoll, O

2002-01-01

The low-energy excitations in crystalline and glassy triphenyl phosphite were studied by inelastic incoherent neutron scattering with two different instruments. The results - the incoherent dynamic structure factor S(2 theta,omega) and the density of states G(omega) - were obtained using direct and inverted geometry time-of-flight spectrometers, respectively. The probable origin of the excess density of states in the glass (boson peak) is discussed. (orig.)

Neutron-scattering study of low-energy excitations in triphenyl phosphite

International Nuclear Information System (INIS)

Mayer, J.; Krawczyk, J.; Massalska-Arodz, M.; Janik, J.A.; Natkaniec, I.; Steinsvoll, O.

2002-01-01

The low-energy excitations in crystalline and glassy triphenyl phosphite were studied by inelastic incoherent neutron scattering with two different instruments. The results - the incoherent dynamic structure factor S(2θ,ω) and the density of states G(ω) - were obtained using direct and inverted geometry time-of-flight spectrometers, respectively. The probable origin of the excess density of states in the glass (boson peak) is discussed. (orig.)

Excitation energy of the lowest 2+ and 3- levels in 32Mg and 146Gd

International Nuclear Information System (INIS)

Barranco, M.; Lombard, R.J.

1978-06-01

The excitation energy of the lowest 2 + and 3 - levels are calculated for neutron rich Mg-isotopes as well as for N=82 isotones. The calculations are made by assuming quadrupole-quadrupole and octupole-octupole forces. The quasi-particles energies and occupation numbers are taken from the energy density method

On mechanism of Ar(3p54p) states excitation in low-energy Ar-Ar collisions

International Nuclear Information System (INIS)

Kurskov, S Y; Kashuba, A S

2009-01-01

The present work is devoted to study of Ar(3p 5 4p) states excitation in binary low-energy Ar-Ar collisions. The results of the experimental investigation of excitation cross sections of Ar I 4p'[l/2] 1 , 4p'[3/2] 1 , 4p'[3/2] 2 and 4p[3/2] 2 levels in the collision energy range from threshold up to 500 eV (cm) and degree of polarization for 4s[3/2] 2 0 -4p'[l/2] 1 and 4s[3/2] 2 0 -4p[3/2] 2 transitions in this energy range are represented.

Ultrafast Nonradiative Decay and Excitation Energy Transfer by Carotenoids in Photosynthetic Light-Harvesting Proteins

Science.gov (United States)

Ghosh, Soumen

This dissertation investigates the photophysical and structural dynamics that allow carotenoids to serve as efficient excitation energy transfer donor to chlorophyll acceptors in photosynthetic light harvesting proteins. Femtosecond transient grating spectroscopy with optical heterodyne detection has been employed to follow the nonradiative decay pathways of carotenoids and excitation energy transfer to chlorophylls. It was found that the optically prepared S2 (11Bu+) state of beta-carotene decays in 12 fs fs to populate an intermediate electronic state, Sx, which then decays nonradiatively to the S 1 state. The ultrafast rise of the dispersion component of the heterodyne transient grating signal reports the formation of Sx intermediate since the rise of the dispersion signal is controlled by the loss of stimulated emission from the S2 state. These findings were extended to studies of peridinin, a carbonyl substituted carotenoid that serves as a photosynthetic light-harvesting chromophore in dinoflagellates. Numerical simulations using nonlinear response formalism and the multimode Brownian oscillator model assigned the Sx intermediate to a torsionally distorted structure evolving on the S2 potential surface. The decay of the Sx state is promoted by large amplitude out-of-plane torsional motions and is significantly retarded by solvent friction owing to the development of an intramolecular charge transfer character in peridinin. The slowing of the nonradiative decay allows the Sx state to transfer significant portion of the excitation energy to chlorophyll a acceptors in the peridinin-chlorophyll a protein. The results of heterodyne transient grating study on peridinin-chlorophyll a protein suggests two distinct energy transfer channels from peridinin to chlorophyll a: a 30 fs process involving quantum coherence and delocalized peridinin-Chl states and an incoherent, 2.5 ps process involving the distorted S2 state of peridinin. The torsional evolution on the S2

Temperature and excitation energy of hot nuclei in the reaction of 40Ar+197Au at 25 MeV/nucleon

International Nuclear Information System (INIS)

Wu, H.; Jin, G.; Li, Z.; Dai, G.; Qi, Y.; He, Z.; Luo, Q.; Duan, L.; Wen, W.; Zhang, B.

1997-01-01

The coincidence measurements between heavy fission fragments and light charged particles with Z ≤2 were carried out for the 40 Ar+ 197 Au reaction at 25 MeV/nucleon, to study the properties of hot nuclei in heavy ion induced reactions. The linear momentum transfers (LMTs) were deduced from the folding angle and the time-of-flight difference between two fission fragments of heavy residues. The relationship of the nuclear temperature (slope parameter of the energy spectrum) and the excitation energy was determined independently from the measurement of the kinetic energy spectra in the frames of the emitting sources and from the LMT analysis. Both the temperature and the excitation energy increase with decreasing impact parameter, which suggests that a plateau temperature of 5.5 MeV is reached at an excitation energy of 3.1 MeV/nucleon. The result was also compared with various statistical models that explain the plateau by the multifragmentation process, where the excitation energy is assumed to be stored in compression and expansion effects. (orig.)

Core excitation and de-excitation spectroscopies of free atoms and molecules

International Nuclear Information System (INIS)

Ueda, Kiyoshi

2006-01-01

This article provides a review of the current status of core excitation and de-excitation spectroscopy studies of free atoms molecules using a high-resolution soft X-ray monochromator and a high-resolution electron energy analyzer, installed in the soft X-ray photochemistry beam line at SPring-8. Experimental results are discussed for 1s excitation of Ne, O 1s excitation of CO and H 2 O, and F 1s excitation of CF 4 . (author)

Impact of nuclear lattice relaxation on the excitation energy transfer along a chain of pi-conjugated molecules

NARCIS (Netherlands)

Schmid, S.A.; Abbel, R.J.; Schenning, A.P.H.J.; Meijer, E.W.; Herz, L.M.

2010-01-01

We have investigated the extent to which delocalization of the ground-state and excited-state wave functions of a p-conjugated molecule affects the excitation energy transfer (EET) between such molecules. Using femtosecond photoluminescence spectroscopy, we experimentally monitored the EET along

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

International Nuclear Information System (INIS)

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

1991-01-01

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

Systematics of Fission-Product Yields

International Nuclear Information System (INIS)

Wahl, A.C.

2002-01-01

Empirical equations representing systematics of fission-product yields have been derived from experimental data. The systematics give some insight into nuclear-structure effects on yields, and the equations allow estimation of yields from fission of any nuclide with atomic number Z F = 90 thru 98, mass number A F = 230 thru 252, and precursor excitation energy (projectile kinetic plus binding energies) PE = 0 thru ∼200 MeV--the ranges of these quantities for the fissioning nuclei investigated. Calculations can be made with the computer program CYFP. Estimates of uncertainties in the yield estimates are given by equations, also in CYFP, and range from ∼ 15% for the highest yield values to several orders of magnitude for very small yield values. A summation method is used to calculate weighted average parameter values for fast-neutron (∼ fission spectrum) induced fission reactions

Systematics of Fission-Product Yields

Energy Technology Data Exchange (ETDEWEB)

A.C. Wahl

2002-05-01

Empirical equations representing systematics of fission-product yields have been derived from experimental data. The systematics give some insight into nuclear-structure effects on yields, and the equations allow estimation of yields from fission of any nuclide with atomic number Z{sub F} = 90 thru 98, mass number A{sub F} = 230 thru 252, and precursor excitation energy (projectile kinetic plus binding energies) PE = 0 thru {approx}200 MeV--the ranges of these quantities for the fissioning nuclei investigated. Calculations can be made with the computer program CYFP. Estimates of uncertainties in the yield estimates are given by equations, also in CYFP, and range from {approx} 15% for the highest yield values to several orders of magnitude for very small yield values. A summation method is used to calculate weighted average parameter values for fast-neutron ({approx} fission spectrum) induced fission reactions.

Systematics of strength function sum rules

Directory of Open Access Journals (Sweden)

Calvin W. Johnson

2015-11-01

Full Text Available Sum rules provide useful insights into transition strength functions and are often expressed as expectation values of an operator. In this letter I demonstrate that non-energy-weighted transition sum rules have strong secular dependences on the energy of the initial state. Such non-trivial systematics have consequences: the simplification suggested by the generalized Brink–Axel hypothesis, for example, does not hold for most cases, though it weakly holds in at least some cases for electric dipole transitions. Furthermore, I show the systematics can be understood through spectral distribution theory, calculated via traces of operators and of products of operators. Seen through this lens, violation of the generalized Brink–Axel hypothesis is unsurprising: one expects sum rules to evolve with excitation energy. Furthermore, to lowest order the slope of the secular evolution can be traced to a component of the Hamiltonian being positive (repulsive or negative (attractive.

Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

Science.gov (United States)

Li, Chen; Lu, Jianfeng; Yang, Weitao

2015-12-14

We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

Proceedings of the 1984 workshop on high-energy excitations in condensed matter. Volume II

International Nuclear Information System (INIS)

Silver, R.N.

1984-12-01

This volume covers electronic excitations, momentum distributions, high energy photons, and a wrap-up session. Abstracts of individual items from the conference were prepared separately for the data base

Atlas of nuclear isomers and their systematics

International Nuclear Information System (INIS)

Jain, Ashok Kumar; Maheshwari, Bhoomika

2015-01-01

Isomers can be viewed as a separate class of nuclei and offer interesting possibilities to study the behavior of nuclei under varied conditions of excitation energy, spin, life-time and particle configuration. We have completed a horizontal evaluation of nuclear isomers and the resulting data set contains a wealth of information which offers new insights in the nuclear structure of a wide range of configurations, nuclei approaching the drip lines etc. We now have reliable data on approximately 2460 isomers having a half-life ≥ 10 ns. A few of the systematics of the properties of nuclear isomers like excitation energy, half-life, spin, abundance etc. will be presented. The data set of semi-magic isomers strongly supports the existence of seniority isomers originating from the higher spin orbitals. (author)

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

Science.gov (United States)

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

2017-04-01

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

Excitation energy and angular momentum of quasiprojectiles produced in the Xe+Sn collisions at incident energies between 25 and 50 MeV/nucleon

International Nuclear Information System (INIS)

Steckmeyer, J.C.; Genouin-Duhamel, E.; Vient, E.; Colin, J.; Durand, D.; Auger, G.; Bacri, C.O.; Bellaize, N.; Borderie, B.; Bougault, R.; Bouriquet, B.; Brou, R.; Buchet, P.; Charvet, J.L.; Chbihi, A.; Cussol, D.; Dayras, R.; De Cesare, N.; Demeyer, A.; Dore, D.; Frankland, J.D.; Galichet, E.; Gerlic, E.; Guinet, D.; Hudan, S.; Lautesse, P.; Lavaud, F.; Laville, J.L.; Lecolley, J.F.; Leduc, C.; Legrain, R.; Le Neindre, N.; Lopez, O.; Louvel, M.; Maskay, A.M.; Nalpas, L.; Normand, J.; Parlog, M.; Pawlowski, P.; Plagnol, E.; Rivet, M.F.; Rosato, E.; Saint-Laurent, F.; Tabacaru, G.; Tamain, B.; Tassan-Got, L.; Tirel, O.; Turzo, K.; Vigilante, M.; Volant, C.; Wieleczko, J.P.

2001-01-01

The excitation energy and angular momentum transferred to quasiprojectiles have been measured in the 129 Xe+ nat Sn collisions at bombarding energies between 25 and 50 MeV/nucleon. The excitation energy of quasiprojectiles has been determined from the kinetic energy of all decay products (calorimetry). It increases with the violence of the collision, approaching 10 MeV/nucleon in the most dissipative ones. The angular momentum has been deduced from the kinetic energies and angular distributions of the emitted light charged particles (p, d, t, 3 He and α). The (apparent) spin value decreases with the violence of the collision. Larger spin values are observed at the lowest bombarding energy. Data are compared with the predictions of dynamical and statistical models. They reproduce the data in a quantitative way indicating that large spin values are transferred to quasiprojectiles during the interaction. The results show that the one-body dissipation formalism still applies at intermediate bombarding energies and low-energy dissipations. With the increase of the energy, the data seem to be better described when the two-body interaction is accounted for

Deviation from Boltzmann distribution in excited energy levels of singly-ionized iron in an argon glow discharge plasma for atomic emission spectrometry

Energy Technology Data Exchange (ETDEWEB)

Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki, E-mail: wagatuma@imr.tohoku.ac.jp

2012-01-15

A Boltzmann plot for many iron ionic lines having excitation energies of 4.7-9.1 eV was investigated in an argon glow discharge plasma when the discharge parameters, such as the voltage/current and the gas pressure, were varied. A Grimm-style radiation source was employed in a DC voltage range of 400-800 V at argon pressures of 400-930 Pa. The plot did not follow a linear relationship over a wide range of the excitation energy, but it yielded a normal Boltzmann distribution in the range of 4.7-5.8 eV and a large overpopulation in higher-lying excitation levels of iron ion. A probable reason for this phenomenon is that excitations for higher excited energy levels of iron ion would be predominantly caused by non-thermal collisions with argon species, the internal energy of which is received by iron atoms for the ionization. Particular intense ionic lines, which gave a maximum peak of the Boltzmann plot, were observed at an excitation energy of ca. 7.7 eV. They were the Fe II 257.297-nm and the Fe II 258.111-nm lines, derived from the 3d{sup 5}4s4p {sup 6}P excited levels. The 3d{sup 5}4s4p {sup 6}P excited levels can be highly populated through a resonance charge transfer from the ground state of argon ion, because of good matching in the excitation energy as well as the conservation of the total spin before and after the collision. An enhancement factor of the emission intensity for various Fe II lines could be obtained from a deviation from the normal Boltzmann plot, which comprised the emission lines of 4.7-5.8 eV. It would roughly correspond to a contribution of the charge transfer excitation to the excited levels of iron ion, suggesting that the charge-transfer collision could elevate the number density of the corresponding excited levels by a factor of ca.10{sup 4}. The Boltzmann plots give important information on the reason why a variety of iron ionic lines can be emitted from glow discharge plasmas.

Effects of Isospin on Pre-scission Particle Multiplicity of Heavy Systems and Its Excitation Energy Dependence

Institute of Scientific and Technical Information of China (English)

YE Wei; CHEN Na

2004-01-01

Isospin effects on particle emission of fissioning isobaric sources 202Fr, 202po, 202Tl and isotopic sources 189,202,212Po, and its dependence on the excitation energy are studied via Smoluchowski equations. It is shown that with increasing the isospin of fissioning systems, charged-particle emission is not sensitive to the strength of nuclear dissipation. In addition, we have found that increasing the excitation energy not only increases the influence of nuclear dissipation on particle emission but also greatly enhances the sensitivity of the emission of pre-scission neutrons or charged particles to the isospin of the system. Therefore, in order to extract dissipation strength more accurately by taking light particle multiplicities it is important to choose both a highly excited compound nucleus and a proper kind of particles for systems with different isospins.

Projectile excitation energy evolution in peripheral collisions for 16O + 197Au at 32.5, 50 and 70 MeV/N

International Nuclear Information System (INIS)

Pouliot, J.; Dore, D.; Houde, S.; Laforest, R.; Roy, R.; St-Pierre, C.; Chan, Y.; Horn, D.; Horn, D.

1991-01-01

A comparison of the multiple breakup of 16 O projectiles scattered by a Au target at three different energies (32.5, 50 and 70 MeV/N) is presented. The excitation energy spectra of the primary projectile-like nuclei decaying into specific output channels were reconstructed. The excitation energy of the target is found to increase faster with beam energy than the one for the quasi-projectile

Ergodicity, configurational entropy and free energy in pigment solutions and plant photosystems: influence of excited state lifetime.

Science.gov (United States)

Jennings, Robert C; Zucchelli, Giuseppe

2014-01-01

We examine ergodicity and configurational entropy for a dilute pigment solution and for a suspension of plant photosystem particles in which both ground and excited state pigments are present. It is concluded that the pigment solution, due to the extreme brevity of the excited state lifetime, is non-ergodic and the configurational entropy approaches zero. Conversely, due to the rapid energy transfer among pigments, each photosystem is ergodic and the configurational entropy is positive. This decreases the free energy of the single photosystem pigment array by a small amount. On the other hand, the suspension of photosystems is non-ergodic and the configurational entropy approaches zero. The overall configurational entropy which, in principle, includes contributions from both the single excited photosystems and the suspension which contains excited photosystems, also approaches zero. Thus the configurational entropy upon photon absorption by either a pigment solution or a suspension of photosystem particles is approximately zero. Copyright © 2014 Elsevier B.V. All rights reserved.

Accurate adiabatic energy surfaces for the ground and first excited states of He2+

International Nuclear Information System (INIS)

Lee, E.P.F.

1993-01-01

Different factors affecting the accuracy of the computed energy surfaces of the ground and first excited state of He 2 + have been examined, including the choice of the one-and many-particle bases, the configurational space in the MRCI (multi-reference configuration interaction) calculations and other corrections such as the Davidson and the full counterpoise (CP) correction. From basis-variation studies, it was concluded that multi-reference direct-CI calculations (MRDCI) using CASSCF MOs and/or natural orbitals (NOs) from a smaller CISD calculation, gave results close to full CI. The computed dissociation energies, D e , for the ground and first excited state of He 2 + were 2.4670 (2.4659) eV and 17.2 (17.1) cm -1 , respectively, at the highest level [without and with CP correction for basis-set superposition errors (BSSE)] of calculation with an [11s8p3d1f] GTO contraction, in reasonably good agreement with previous calculations, and estimated correct values, where available. It is believed that the computed D e , and the energy surface for the first excited state should be reasonably accurate. However, for the ground state, the effects of multiple f functions and/or functions of higher angular momentum have not been investigated owing to limitation of the available computing resources. This is probably the only weakness is the present study. (Author)

Peri-ictal changes of cortical excitability in children suffering from migraine without aura

DEFF Research Database (Denmark)

Siniatchkin, Michael; Reich, Anna-Lena; Shepherd, Alex J

2009-01-01

aftereffect. Motor cortex excitability was not altered in patients and did not change during the migraine cycle. These findings show that pediatric migraine without aura is associated with a systematic shift in occipital excitability preceding the migraine attack. Similar systematic fluctuations in cortical...

Is There Excitation Energy Transfer between Different Layers of Stacked Photosystem-II-Containing Thylakoid Membranes?

Science.gov (United States)

Farooq, Shazia; Chmeliov, Jevgenij; Trinkunas, Gediminas; Valkunas, Leonas; van Amerongen, Herbert

2016-04-07

We have compared picosecond fluorescence decay kinetics for stacked and unstacked photosystem II membranes in order to evaluate the efficiency of excitation energy transfer between the neighboring layers. The measured kinetics were analyzed in terms of a recently developed fluctuating antenna model that provides information about the dimensionality of the studied system. Independently of the stacking state, all preparations exhibited virtually the same value of the apparent dimensionality, d = 1.6. Thus, we conclude that membrane stacking does not affect the efficiency of the delivery of excitation energy toward the reaction centers but ensures a more compact organization of the thylakoid membranes within the chloroplast and separation of photosystems I and II.

Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems.

Science.gov (United States)

Fujita, Takatoshi; Mochizuki, Yuji

2018-04-19

We developed the fragment-based method for calculating nonlocal excitations in large molecular systems. This method is based on the multilayer fragment molecular orbital method and the configuration interaction single (CIS) wave function using localized molecular orbitals. The excited-state wave function for the whole system is described as a superposition of configuration state functions (CSFs) for intrafragment excitations and for interfragment charge-transfer excitations. The formulation and calculations of singlet excited-state Hamiltonian matrix elements in the fragment CSFs are presented in detail. The efficient approximation schemes for calculating the matrix elements are also presented. The computational efficiency and the accuracy were evaluated using the molecular dimers and molecular aggregates. We confirmed that absolute errors of 50 meV (relative to the conventional calculations) are achievable for the molecular systems in their equilibrium geometries. The perturbative electron correlation correction to the CIS excitation energies is also demonstrated. The present theory can compute a large number of excited states in large molecular systems; in addition, it allows for the systematic derivation of a model exciton Hamiltonian. These features are useful for studying excited-state dynamics in condensed molecular systems based on the ab initio electronic structure theory.

Investigation of the energy-averaged double transition density of isoscalar monopole excitations in medium-heavy mass spherical nuclei

Energy Technology Data Exchange (ETDEWEB)

Gorelik, M.L.; Shlomo, S. [National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation); Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Tulupov, B.A. [National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation); Institute for Nuclear Research, RAS, Moscow 117312 (Russian Federation); Urin, M.H., E-mail: urin@theor.mephi.ru [National Research Nuclear University “MEPhI”, Moscow 115409 (Russian Federation)

2016-11-15

The particle–hole dispersive optical model, developed recently, is applied to study properties of high-energy isoscalar monopole excitations in medium-heavy mass spherical nuclei. The energy-averaged strength functions of the isoscalar giant monopole resonance and its overtone in {sup 208}Pb are analyzed. In particular, we analyze the energy-averaged isoscalar monopole double transition density, the key quantity in the description of the hadron–nucleus inelastic scattering, and studied the validity of the factorization approximation using semi classical and microscopic one body transition densities, respectively, in calculating the cross sections for the excitation of isoscalar giant resonances by inelastic alpha scattering.

Manipulating the Electronic Excited State Energies of Pyrimidine-Based Thermally Activated Delayed Fluorescence Emitters To Realize Efficient Deep-Blue Emission.

Science.gov (United States)

Komatsu, Ryutaro; Ohsawa, Tatsuya; Sasabe, Hisahiro; Nakao, Kohei; Hayasaka, Yuya; Kido, Junji

2017-02-08

The development of efficient and robust deep-blue emitters is one of the key issues in organic light-emitting devices (OLEDs) for environmentally friendly, large-area displays or general lighting. As a promising technology that realizes 100% conversion from electrons to photons, thermally activated delayed fluorescence (TADF) emitters have attracted considerable attention. However, only a handful of examples of deep-blue TADF emitters have been reported to date, and the emitters generally show large efficiency roll-off at practical luminance over several hundreds to thousands of cd m -2 , most likely because of the long delayed fluorescent lifetime (τ d ). To overcome this problem, we molecularly manipulated the electronic excited state energies of pyrimidine-based TADF emitters to realize deep-blue emission and reduced τ d . We then systematically investigated the relationships among the chemical structure, properties, and device performances. The resultant novel pyrimidine emitters, called Ac-XMHPMs (X = 1, 2, and 3), contain different numbers of bulky methyl substituents at acceptor moieties, increasing the excited singlet (E S ) and triplet state (E T ) energies. Among them, Ac-3MHPM, with a high E T of 2.95 eV, exhibited a high external quantum efficiency (η ext,max ) of 18% and an η ext of 10% at 100 cd m -2 with Commission Internationale de l'Eclairage chromaticity coordinates of (0.16, 0.15). These efficiencies are among the highest values to date for deep-blue TADF OLEDs. Our molecular design strategy provides fundamental guidance to design novel deep-blue TADF emitters.

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

International Nuclear Information System (INIS)

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

1981-01-01

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

Shape coexistence in krypton and selenium light isotopes studied through Coulomb excitation of radioactive ions beams; Etude de la coexistence de formes dans les isotopes legers du krypton et du selenium par excitation Coulombienne de faisceaux radioactifs

Energy Technology Data Exchange (ETDEWEB)

Clement, E

2006-06-15

The light krypton isotopes show two minima in their potential energy corresponding to elongated (prolate) and compressed (oblate) quadrupole deformation. Both configuration are almost equally bound and occur within an energy range of less than 1 MeV. Such phenomenon is called shape coexistence. An inversion of the ground state deformation from prolate in Kr{sup 78} to oblate in Kr{sup 72} with strong mixing of the configurations in Kr{sup 74} and Kr{sup 76} was proposed based on the systematic of isotopic chain. Coulomb excitation experiments are sensitive to the quadrupole moment. Coulomb excitation experiments of radioactive Kr{sup 74} and Kr{sup 76} beam were performed at GANIL using the SPIRAL facility and the EXOGAM spectrometer. The analysis of these experiments resulted in a complete description of the transition strength and quadrupole moments of the low-lying states. They establish the prolate character of the ground state and an oblate excited state. A complementary lifetime measurement using a 'plunger' device was also performed. Transition strength in neighboring nuclei were measured using the technique of intermediate energy Coulomb excitation at GANIL. The results on the Se{sup 68} nucleus show a sharp change in structure with respects to heavier neighboring nuclei. (author)

Confab - Systematic generation of diverse low-energy conformers

Directory of Open Access Journals (Sweden)

O'Boyle Noel M

2011-03-01

Full Text Available Abstract Background Many computational chemistry analyses require the generation of conformers, either on-the-fly, or in advance. We present Confab, an open source command-line application for the systematic generation of low-energy conformers according to a diversity criterion. Results Confab generates conformations using the 'torsion driving approach' which involves iterating systematically through a set of allowed torsion angles for each rotatable bond. Energy is assessed using the MMFF94 forcefield. Diversity is measured using the heavy-atom root-mean-square deviation (RMSD relative to conformers already stored. We investigated the recovery of crystal structures for a dataset of 1000 ligands from the Protein Data Bank with fewer than 1 million conformations. Confab can recover 97% of the molecules to within 1.5 Å at a diversity level of 1.5 Å and an energy cutoff of 50 kcal/mol. Conclusions Confab is available from http://confab.googlecode.com.

The mechanism of three-body process of energy transfer from excited xenon atoms to molecules

International Nuclear Information System (INIS)

Wojciechowski, K.; Forys, M.

1999-01-01

The mechanism of energy transfer from Xe(6 s[3/2] 1 ) resonance state (E=8.44 eV) and higher excited Xe(6p, 6p', 6 d) atoms produced in pulse radiolysis to molecules have been discussed. The analysis of the kinetic data for these processes shows that in the sensitized photolysis and radiolysis of Xe-M mixtures the excited atoms decay in 'ordinary' two-body reaction: Xe(6s[3/2] 1 0 )+M→products (r.1) and in fast 'accelerated' third order process: Xe(6s[3/2] 1 0 )+M+Xe→products (r.2) The discussion shows that three-body process occurs via reactions: Xe(6s[3/2] 1 0 )+Xe k w ↔ k d Xe 2 ** (r.2a) Xe 2 **+M k q →[Xe 2 M]*→products (r.2b) It was shown that this mechanism concerns also higher excited Xe atoms and can explain a similar process in He-M mixtures and suggests that it is a general mechanism of energy transfer in all irradiated rare gas-molecule systems

Electron energy distribution functions and thermalization times in methane and in argon--methane mixtures: An effect of vibrational excitation processes

International Nuclear Information System (INIS)

Krajcar-Bronic, I.; Kimura, M.

1995-01-01

Electron thermalization in methane and argon--methane mixtures is studied by using the Boltzmann equation. The presence of low-lying vibrational excited states in methane significantly changes electron energy distribution functions and relaxation times. We found that (i) the mean electron energy just below the first vibrational excited state is reached faster by 1000 times when the vibrational states are taken into account, and (ii) electron energy distribution functions have distinct peaks at energy intervals equal to the vibrational threshold energies. Both these effects are due to large vibrational stopping cross section. The thermalization time in mixtures of argon--methane (without vibrational states) smoothly changes as the mixture composition varies, and no significant difference in the electron energy distribution function is observed. When the vibrational excited states are taken into account, thermalization is almost completely defined by CH 4 , even at very low fractional concentrations of CH 4 . The sensitivity of the electron energy distribution functions on the momentum transfer cross sections used in calculation on the thermalization is discussed. copyright 1995 American Institute of Physics

A new recoil distance technique using low energy coulomb excitation in inverse kinematics

Energy Technology Data Exchange (ETDEWEB)

Rother, W., E-mail: wolfram.rother@googlemail.com [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Dewald, A.; Pascovici, G.; Fransen, C.; Friessner, G.; Hackstein, M. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Ilie, G. [Wright Nuclear Structure Laboratory, Yale University, New Haven, CT 06520 (United States); National Institute of Physics and Nuclear Engineering, P.O. Box MG-6, Bucharest-Magurele (Romania); Iwasaki, H. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Jolie, J. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Melon, B. [Dipartimento di Fisica, Universita di Firenze and INFN Sezione di Firenze, Sesto Fiorentino (Firenze) I-50019 (Italy); Petkov, P. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); INRNE-BAS, Sofia (Bulgaria); Pfeiffer, M. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Pissulla, Th. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Bundesumweltministerium, Robert-Schuman-Platz 3, D - 53175 Bonn (Germany); Zell, K.-O. [Institut fuer Kernphysik der Universitaet zu Koeln, Zuelpicher Str. 77, D-50937 Koeln (Germany); Jakobsson, U.; Julin, R.; Jones, P.; Ketelhut, S.; Nieminen, P.; Peura, P. [Department of Physics, University of Jyvaeskylae, P.O. Box 35, FI-40014 (Finland); and others

2011-10-21

We report on the first experiment combining the Recoil Distance Doppler Shift technique and multistep Coulomb excitation in inverse kinematics at beam energies of 3-10 A MeV. The setup involves a standard plunger device equipped with a degrader foil instead of the normally used stopper foil. An array of particle detectors is positioned at forward angles to detect target-like recoil nuclei which are used as a trigger to discriminate against excitations in the degrader foil. The method has been successfully applied to measure lifetimes in {sup 128}Xe and is suited to be a useful tool for experiments with radioactive ion beams.

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

Science.gov (United States)

Barklem, P. S.

2018-05-01

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

Picosecond excitation energy transfer of allophycocyanin studied in solution and in crystals.

Science.gov (United States)

Ranjbar Choubeh, Reza; Sonani, Ravi R; Madamwar, Datta; Struik, Paul C; Bader, Arjen N; Robert, Bruno; van Amerongen, Herbert

2018-03-01

Cyanobacteria perform photosynthesis with the use of large light-harvesting antennae called phycobilisomes (PBSs). These hemispherical PBSs contain hundreds of open-chain tetrapyrrole chromophores bound to different peptides, providing an arrangement in which excitation energy is funnelled towards the PBS core from where it can be transferred to photosystem I and/or photosystem II. In the PBS core, many allophycocyanin (APC) trimers are present, red-light-absorbing phycobiliproteins that covalently bind phycocyanobilin (PCB) chromophores. APC trimers were amongst the first light-harvesting complexes to be crystallized. APC trimers have two spectrally different PCBs per monomer, a high- and a low-energy pigment. The crystal structure of the APC trimer reveals the close distance (~21 Å) between those two chromophores (the distance within one monomer is ~51 Å) and this explains the ultrafast (~1 ps) excitation energy transfer (EET) between them. Both chromophores adopt a somewhat different structure, which is held responsible for their spectral difference. Here we used spectrally resolved picosecond fluorescence to study EET in these APC trimers both in crystallized and in solubilized form. We found that not all closely spaced pigment couples consist of a low- and a high-energy pigment. In ~10% of the cases, a couple consists of two high-energy pigments. EET to a low-energy pigment, which can spectrally be resolved, occurs on a time scale of tens of picoseconds. This transfer turns out to be three times faster in the crystal than in the solution. The spectral characteristics and the time scale of this transfer component are similar to what have been observed in the whole cells of Synechocystis sp. PCC 6803, for which it was ascribed to EET from C-phycocyanin to APC. The present results thus demonstrate that part of this transfer should probably also be ascribed to EET within APC trimers.

Electromagnetic excitation with very heavy ions at and above the Coulomb barrier

International Nuclear Information System (INIS)

Wollersheim, H.J.

1988-08-01

The present report is part of a systematic study of the electromagnetic properties of strongly deformed and shape transitional nuclei carried out at GSI. The high efficiency particle-gamma detector system is described to perform multiple Coulomb excitation experiments with very heavy projectiles. Some results obtained for the shape transitional nucleus 196 Pt will be presented to exemplify the importance of having access to both the level energies and the E2-transition matrix elements when discussing the possible structure of these states. The second part of this paper is devoted to transfer reactions between very heavy nuclei. In contrast to light projectiles heavy ions offer the possibility to study new phenomena which originate in the much larger Coulomb contribution to the total interaction. In particular, heavy deformed nuclei will be Coulomb excited by the strong electromagnetic field to high spin states already at the time when they start interacting through the nuclear forces. The particle transfer therefore takes place mainly between excited collective states and thus should give information about the interplay between single-particle degrees of freedom, pair correlations and collective excitations. In this paper results of experiments will be reported in which nuclei from the rare earth and the actinide region have been bombarded by 206,208 Pb projectiles at incident energies near the Coulomb barrier. (orig./HSI)

Investigating the fission process at high excitation energies through proton induced reactions on 181Ta

International Nuclear Information System (INIS)

Ayyad, Y.; Benlliure, J.; Casajeros, E.; Alvarez Pol, H.; Paradela, C.; Perez-Loureido, D.; Tarrio, D.; Bacquias, A.; Boudard, A.; Kezzar, K.; Leray, S.; Enqvist, T.; Foehr, V.; Kelic, A.; Pleskac, R.

2010-01-01

In this work we have investigated the total fission cross section of 181 Ta + 1 H at FRS (Fragment Separator - GSI) at 1, 0.8, 0.5 and 0.3 GeV with a specific setup, providing high accuracy measurements of the cross section values. the comparison of our data with previous results reveals a good agreement at high energies. However the situation remains unclear at lower energies. In general, our results covering a wide range of energy, are smoother. We have also compared the results obtained in this experiment, with several calculations performed with the intra-nuclear cascade model (INCL v4.1) coupled to de-excitation code (ABLAv3p), according to two different models describing fission process at high-excitation energies: statistical model of Bohr and Wheeler and the dynamical description of the fission process. We have showed that a simple statistical description largely over-predict the measured cross-section. Only a dynamical description of the fission, involving the role of the viscosity of the nuclear matter, provides a realistic result.

Renewable energy stocks and risk : (systematic risk factors in the renewable energy sector)

OpenAIRE

Strømme, Janne

2016-01-01

The renewable energy sector is an industry that expects tremendously growth in years to come. This opens interesting investment opportunities for investors and poses challenges for government and legislators as to how to best support the change to a low-carbon emission energy mix. In this study, we have explored the risk and returns characteristics for stocks, focusing on macroeconomic systematic risk. The stock returns from renewable energy sector was regressed on the macroeconomic variables...

Application of radionuclide sources for excitation in energy-dispersive X-ray fluorescence analysis

International Nuclear Information System (INIS)

Hoffmann, P.

1986-01-01

X-ray fluorescence (XRF) analysis is in broad application in many fields of science where elemental determinations are necessary. Solid and liquid samples are analyzed by this method. Solids are introduced in thin or thick samples as melted glass, pellets, powders or as original specimen. The excitation of X-ray spectra can be performed by specific and polychromic radiation of X-ray tubes, by protons, deuterons, α-particles, heavy ions and synchrotron radiation from accelerators and by α-particles, X- and γ-rays and by bremsstrahlung generated by β - -particles from radionuclide sources. The radionuclides are devided into groups with respect to their decay mode and the energy of the emitted radiation. The broad application of radionuclides in XRF excitation is shown in examples as semi-quantitative analysis of glasses, as quantitative analysis of coarse ceramics and as quantitative determination of heavy elements (mainly actinides) in solutions. The advantages and disadvantages of radionuclide excitation in XRF analysis are discussed. (orig.) [de

The study of quasi-projectiles produced in Ni+Ni and Ni+Au collisions: excitation energy and spin; Etude des quasi-projectiles produits dans les collisions Ni+Ni et Ni+Au: energie d'excitation et spin

Energy Technology Data Exchange (ETDEWEB)

Buta, A

2003-02-01

During the collision between the projectile and the target nuclei in the intermediate energy regime (E < 100 MeV/nucleon) two excited nuclei are mainly observed in the exit channel, the quasi projectile (QP) and the quasi target. They disintegrate by particle emission. However, this binary picture is perturbed by the emission of particles and light fragments with velocities intermediate between the projectile velocity and the target one, all along the interaction (midrapidity component). This work aim to determine the excitation energy and the intrinsic angular momentum (or spin) of quasi-projectiles produced in the Ni+Ni and Ni+Au collisions at 52 and 90 MeV/nucleon. The excitation energy is deduced from the kinematical characteristics of particles emitted by the quasi-projectile. They have to be separated from midrapidity particles. Three different scenarios have been used for this purpose. The spin of the quasi-projectile has been extracted from the experimental data by mean of proton and alpha particles multiplicities emitted by the QP in the Ni+Au at 52 MeV/nucleon reaction. The results have been compared to the predictions of a theoretical model based on nucleon transfers. Their evolution is qualitatively reproduced as a function of the violence of the collision. (author)

Electron energy distributions and excitation rates in high-frequency argon discharges

International Nuclear Information System (INIS)

Ferreira, C.M.; Loureiro, J.

1983-06-01

The electron energy distribution functions and rate coefficients for excitation and ionisation in argon under the action of an uniform high-frequency electric field were calculated by numerically solving the homogeneous Boltzmann equation. Analytic calculations in the limiting cases ω>>νsub(c) and ω<<νsub(c), where ω is the wave angular frequency and νsub(c) is the electron-neutral collision frequency for momentum transfer, are also presented and shown to be in very good agreement with the numerical computations. The results reported here are relevant for the modelling of high-frequency discharges in argon and, in particular, for improving recent theoretical descriptions of a plasma column sustained by surface microwaves. The properties of surface wave produced plasmas make them interesting as possible substitutes for other more conventional plasma sources for such important applications as plasma chemistry laser excitation, plasma etching spectroscopic sources etc...

Molecular excited states from the SCAN functional

Science.gov (United States)

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

2018-06-01

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

Predictors of Energy Compensation during Exercise Interventions: A Systematic Review

Directory of Open Access Journals (Sweden)

Marie-Ève Riou

2015-05-01

Full Text Available Weight loss from exercise-induced energy deficits is usually less than expected. The objective of this systematic review was to investigate predictors of energy compensation, which is defined as body energy changes (fat mass and fat-free mass over the total amount of exercise energy expenditure. A search was conducted in multiple databases without date limits. Of 4745 studies found, 61 were included in this systematic review with a total of 928 subjects. The overall mean energy compensation was 18% ± 93%. The analyses indicated that 48% of the variance of energy compensation is explained by the interaction between initial fat mass, age and duration of exercise interventions. Sex, frequency, intensity and dose of exercise energy expenditure were not significant predictors of energy compensation. The fitted model suggested that for a shorter study duration, lower energy compensation was observed in younger individuals with higher initial fat mass (FM. In contrast, higher energy compensation was noted for younger individuals with lower initial FM. From 25 weeks onward, energy compensation was no longer different for these predictors. For studies of longer duration (about 80 weeks, the energy compensation approached 84%. Lower energy compensation occurs with short-term exercise, and a much higher level of energy compensation accompanies long-term exercise interventions.

Excitation energy transfer between Light-harvesting complex II and Photosystem I in reconstituted membranes.

Science.gov (United States)

Akhtar, Parveen; Lingvay, Mónika; Kiss, Teréz; Deák, Róbert; Bóta, Attila; Ughy, Bettina; Garab, Győző; Lambrev, Petar H

2016-04-01

Light-harvesting complex II (LHCII), the major peripheral antenna of Photosystem II in plants, participates in several concerted mechanisms for regulation of the excitation energy and electron fluxes in thylakoid membranes. In part, these include interaction of LHCII with Photosystem I (PSI) enhancing the latter's absorption cross-section - for example in the well-known state 1 - state 2 transitions or as a long-term acclimation to high light. In this work we examined the capability of LHCII to deliver excitations to PSI in reconstituted membranes in vitro. Proteoliposomes with native plant thylakoid membrane lipids and different stoichiometric ratios of LHCII:PSI were reconstituted and studied by steady-state and time-resolved fluorescence spectroscopy. Fluorescence emission from LHCII was strongly decreased in PSI-LHCII membranes due to trapping of excitations by PSI. Kinetic modelling of the time-resolved fluorescence data revealed the existence of separate pools of LHCII distinguished by the time scale of energy transfer. A strongly coupled pool, equivalent to one LHCII trimer per PSI, transferred excitations to PSI with near-unity efficiency on a time scale of less than 10ps but extra LHCIIs also contributed significantly to the effective antenna size of PSI, which could be increased by up to 47% in membranes containing 3 LHCII trimers per PSI. The results demonstrate a remarkable competence of LHCII to increase the absorption cross-section of PSI, given the opportunity that the two types of complexes interact in the membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

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)

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

Science.gov (United States)

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

2014-12-01

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

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Excitation energy and angular momentum dependence of the nuclear level densities

International Nuclear Information System (INIS)

Razavi, R.; Kakavand, T.; Behkami, A. N.

2007-01-01

We have investigated the excitation energy (E) dependence of nuclear level density for Bethe formula and constant temperature model. The level density parameter aa nd the back shifted energy from the Bethe formula are obtained by fitting the complete level schemes. Also the level density parameters from the constant temperature model have been determined for several nuclei. we have shown that the microscopic theory provides more precise information on the nuclear level densities. On the other hand, the spin cut-off parameter and effective moment of inertia are determined by studying of the angular momentum (J) dependence of the nuclear level density, and effective moment of inertia is compared with rigid body value.

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

International Nuclear Information System (INIS)

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

1982-01-01

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

Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows.

Science.gov (United States)

Munafò, A; Panesi, M; Magin, T E

2014-02-01

A Boltzmann rovibrational collisional coarse-grained model is proposed to reduce a detailed kinetic mechanism database developed at NASA Ames Research Center for internal energy transfer and dissociation in N(2)-N interactions. The coarse-grained model is constructed by lumping the rovibrational energy levels of the N(2) molecule into energy bins. The population of the levels within each bin is assumed to follow a Boltzmann distribution at the local translational temperature. Excitation and dissociation rate coefficients for the energy bins are obtained by averaging the elementary rate coefficients. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The proposed coarse-grained model is applied to the study of nonequilibrium flows behind normal shock waves and within converging-diverging nozzles. In both cases, the flow is assumed inviscid and steady. Computational results are compared with those obtained by direct solution of the master equation for the rovibrational collisional model and a more conventional multitemperature model. It is found that the proposed coarse-grained model is able to accurately resolve the nonequilibrium dynamics of internal energy excitation and dissociation-recombination processes with only 20 energy bins. Furthermore, the proposed coarse-grained model provides a superior description of the nonequilibrium phenomena occurring in shock heated and nozzle flows when compared with the conventional multitemperature models.

YIELDS OF IONS AND EXCITED STATES IN NONPOLAR LIQUIDS EXPOSED TO X-RAYS OF 1 TO 30 KEV ENERGY

International Nuclear Information System (INIS)

HOLROYD, R.A.

1999-01-01

When x-rays from a synchrotron source are absorbed in a liquid, the x-ray energy (E x ) is converted by the photoelectric effect into the kinetic energy of the electrons released. For hydrocarbons, absorption by the K-electrons of carbon dominates. Thus the energy of the photoelectron (E pe ) is E x -E b , where E b is the K-shell binding energy of carbon. Additional electrons with energy equal to E b is released in the Auger process that fills the hole in the K-shell. These energetic electrons will produce many ionizations, excitations and products. The consequences of the high density of ionizations and excitations along the track of the photoelectron and special effects near the K-edge are examined here

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

International Nuclear Information System (INIS)

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

1991-01-01

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

Size-dependent piezoelectric energy-harvesting analysis of micro/nano bridges subjected to random ambient excitations

Science.gov (United States)

Radgolchin, Moeen; Moeenfard, Hamid

2018-02-01

The construction of self-powered micro-electro-mechanical units by converting the mechanical energy of the systems into electrical power has attracted much attention in recent years. While power harvesting from deterministic external excitations is state of the art, it has been much more difficult to derive mathematical models for scavenging electrical energy from ambient random vibrations, due to the stochastic nature of the excitations. The current research concerns analytical modeling of micro-bridge energy harvesters based on random vibration theory. Since classical elasticity fails to accurately predict the mechanical behavior of micro-structures, strain gradient theory is employed as a powerful tool to increase the accuracy of the random vibration modeling of the micro-harvester. Equations of motion of the system in the time domain are derived using the Lagrange approach. These are then utilized to determine the frequency and impulse responses of the structure. Assuming the energy harvester to be subjected to a combination of broadband and limited-band random support motion and transverse loading, closed-form expressions for mean, mean square, correlation and spectral density of the output power are derived. The suggested formulation is further exploited to investigate the effect of the different design parameters, including the geometric properties of the structure as well as the properties of the electrical circuit on the resulting power. Furthermore, the effect of length scale parameters on the harvested energy is investigated in detail. It is observed that the predictions of classical and even simple size-dependent theories (such as couple stress) appreciably differ from the findings of strain gradient theory on the basis of random vibration. This study presents a first-time modeling of micro-scale harvesters under stochastic excitations using a size-dependent approach and can be considered as a reliable foundation for future research in the field of

Microscopic unitary description of tidal excitations in high-energy string-brane collisions

CERN Document Server

D'Appollonio, Giuseppe; Russo, Rodolfo; Veneziano, Gabriele

2013-01-01

The eikonal operator was originally introduced to describe the effect of tidal excitations on higher-genus elastic string amplitudes at high energy. In this paper we provide a precise interpretation for this operator through the explicit tree-level calculation of generic inelastic transitions between closed strings as they scatter off a stack of parallel Dp-branes. We perform this analysis both in the light-cone gauge, using the Green-Schwarz vertex, and in the covariant formalism, using the Reggeon vertex operator. We also present a detailed discussion of the high energy behaviour of the covariant string amplitudes, showing how to take into account the energy factors that enhance the contribution of the longitudinally polarized massive states in a simple way.

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

Science.gov (United States)

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

1981-11-01

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

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

International Nuclear Information System (INIS)

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

1981-01-01

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

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

Science.gov (United States)

Barklem, P. S.

2018-02-01

Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

Effect of Optical Excitation Energy on the Red Luminescence of Eu(3+) in GaN

National Research Council Canada - National Science Library

Peng, H. Y; Lee, C. W; Everitt, H. O; Lee, D. S; Steckl, A. J; Zavada, J. M

2005-01-01

...)] transition from GaN:Eu. Time-resolved PL measurements revealed that for excitation at the GaN bound exciton energy, the decay transients are almost temperature insensitive between 86 K and 300 K, indicating an efficient...

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

CERN Document Server

Dinh Dang, N

2003-01-01

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

Calculations of the excitation energies of all-trans and 11,12s-dicis retinals using localized molecular orbitals obtained by the elongation method

Science.gov (United States)

Kurihara, Youji; Aoki, Yuriko; Imamura, Akira

1997-09-01

In the present article, the excitation energies of the all-trans and the 11,12s-dicis retinals were calculated by using the elongation method. The geometries of these molecules were optimized with the 4-31G basis set by using the GAUSSIAN 92 program. The wave functions for the calculation of the excitation energies were obtained with CNDO/S approximation by the elongation method, which enables us to analyze electronic structures of aperiodic polymers in terms of the exciton-type local excitation and the charge transfer-type excitation. The excitation energies were calculated by using the single excitation configuration interaction (SECI) on the basis of localized molecular orbitals (LMOs). The LMOs were obtained in the process of the elongation method. The configuration interaction (CI) matrices were diagonalized by Davidson's method. The calculated results were in good agreement with the experimental data for absorption spectra. In order to consider the isomerization path from 11,12s-dicis to all-trans retinals, the barriers to the rotations about C11-C12 double and C12-C13 single bonds were evaluated.

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

Science.gov (United States)

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

2017-11-01

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

/B(E2) values from low-energy Coulomb excitation at an ISOL facility: the /N=80,82 Te isotopes

Science.gov (United States)

Barton, C. J.; Caprio, M. A.; Shapira, D.; Zamfir, N. V.; Brenner, D. S.; Gill, R. L.; Lewis, T. A.; Cooper, J. R.; Casten, R. F.; Beausang, C. W.; Krücken, R.; Novak, J. R.

2003-01-01

B(E2;0+1→2+1) values for the unstable, neutron-rich nuclei 132,134Te were determined through Coulomb excitation, in inverse kinematics, of accelerated beams of these nuclei. The systematics of measured B(E2) values from the ground state to the first excited state have been extended to the N=82 shell closure in the Te nuclei and have been compared with the predictions of different theories. The measurements were performed at the Holifield Radioactive Ion Beam Facility (HRIBF) using the GRAFIK detector. The success of this approach, which couples a 5.7% efficient through-well NaI(Tl) γ-ray detector with thin foil microchannel plate beam detectors, also demonstrates the feasibility for Coulomb excitation studies of neutron-rich nuclei even further from the valley of beta stability, both at present-generation ISOL facilities and at the proposed Rare Isotope Accelerator.

Strategy of ring-shaped aggregates in excitation energy transfer for removing disorder-induced shielding

International Nuclear Information System (INIS)

Tei, Go; Nakatani, Masatoshi; Ishihara, Hajime

2013-01-01

Peripheral light harvesting complex (LH2), which is found in photosynthetic antenna systems of purple photosynthetic bacteria, has important functions in the photosynthetic process, such as harvesting sunlight and transferring its energy to the photosynthetic reaction center. The key component in excitation energy transfer (EET) between LH2s is B850, which is a characteristic ring-shaped aggregate of pigments usually formed by 18 or 16 bacteriochlorophylls in LH2. We theoretically study the strategy of the ring-shaped aggregate structure, which maximizes EET efficiency, by using the standard Frenkel exciton model and the self-consistent calculation method for the Markovian quantum master equation and Maxwell equation. As a result, we have revealed a simple but ingenious strategy of the ring-shaped aggregate structure. The combination of three key properties of the ring unit system maximizes the EET efficiency, namely the large dipole moment of aggregates causes the basic improvement of EET efficiency, and the isotropic nature and the large occupying area are critically effective to remove the disorder-induced shielding that inhibits EET in the presence of the randomness of orientation and alignment of carriers of excitation energy. (paper)

Strategy of ring-shaped aggregates in excitation energy transfer for removing disorder-induced shielding

Science.gov (United States)

Tei, Go; Nakatani, Masatoshi; Ishihara, Hajime

2013-06-01

Peripheral light harvesting complex (LH2), which is found in photosynthetic antenna systems of purple photosynthetic bacteria, has important functions in the photosynthetic process, such as harvesting sunlight and transferring its energy to the photosynthetic reaction center. The key component in excitation energy transfer (EET) between LH2s is B850, which is a characteristic ring-shaped aggregate of pigments usually formed by 18 or 16 bacteriochlorophylls in LH2. We theoretically study the strategy of the ring-shaped aggregate structure, which maximizes EET efficiency, by using the standard Frenkel exciton model and the self-consistent calculation method for the Markovian quantum master equation and Maxwell equation. As a result, we have revealed a simple but ingenious strategy of the ring-shaped aggregate structure. The combination of three key properties of the ring unit system maximizes the EET efficiency, namely the large dipole moment of aggregates causes the basic improvement of EET efficiency, and the isotropic nature and the large occupying area are critically effective to remove the disorder-induced shielding that inhibits EET in the presence of the randomness of orientation and alignment of carriers of excitation energy.

Excitation of high energy levels under laser exposure of suspensions of nanoparticles in liquids

Energy Technology Data Exchange (ETDEWEB)

Shafeev, G.A. [Wave Research Center of A.M. Prokhorov General Physics Institute, 38, Vavilov Street, 119991 Moscow (Russian Federation)], E-mail: shafeev@kapella.gpi.ru; Simakin, A.V. [Wave Research Center of A.M. Prokhorov General Physics Institute, 38, Vavilov Street, 119991 Moscow (Russian Federation); Bozon-Verduraz, F. [ITODYS, UMR CNRS 7086, Universite Paris 7-Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France); Robert, M. [Laboratoire d' Electrochimie Moleculaire, UMR CNRS 7591, Universite Paris 7 Denis Diderot, 2, place Jussieu, 75251 Paris cedex 05 (France)

2007-12-15

Laser exposure of suspensions of nanoparticles in liquids leads to excitation of high energy levels in both liquid and nanoparticle material. The emission spectrum of the colloidal solution under exposure of a suspension metallic nanoparticles in water to radiation of a Nd:YAG laser of a picosecond range of pulse duration is discussed. Excitation of nuclear energy levels and neutron release is experimentally studied on the model system of transmutation of Hg into Au that occurs under exposure of Hg nanodrops suspended in D{sub 2}O. The proposed mechanism involves: (i) emission of X-ray photons by Hg nanoparticles upon laser exposure, leading to neutron release from D{sub 2}O, (ii) initiation of Hg {yields} Au transmutation by the capture of neutrons. The effect of transmutation is more pronounced using {sup 196}Hg isotope instead of Hg of natural isotope composition. The influence of laser pulse duration on the degree of transmutation (from fs through ns range) is discussed.

New even parity energy levels of Pr I found by excitation of transitions in the region 560 - 695 nm

Energy Technology Data Exchange (ETDEWEB)

Syed, Tanweer Iqbal; Khan, Shamim; Imran, Siddiqui; Zaheer, Uddin; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)

2011-07-01

The knowledge of electronic levels is essentially needed for a description of the interactions between the electrons of an atom and for the classification of an atomic spectrum. We have studied the hyperfine structure of Praseodymium spectral lines in the region from 560 to 695 nm. The hyperfine structure of a large number of unclassified Pr I-lines have been investigated by using the method of laser induced fluorescence in a hollow cathode discharge. During this investigation, we have discovered twelve energy levels with even parity, which were previously unknown. The excitation source was a ring dye laser operated with R6G, Kiton red, or DCM. J-quantum numbers and magnetic dipole interaction constants A for upper and lower levels have been determined from the recorded hyperfine structures. The energies of new levels have been determined by using these constants, excitation and fluorescence wavelengths. Promising excitation wavelengths have been taken from Fourier transform spectra. The new levels were confirmed by at least one second laser excitation.

Two types of charge transfer excitations in low dimensional cuprates: an electron energy-loss study

Czech Academy of Sciences Publication Activity Database

Knupfer, M.; Fink, J.; Drechsler, S.-L.; Hayn, R.; Málek, Jiří; Moskvin, A.S.

137-140, - (2004), s. 469-473 ISSN 0368-2048 Institutional research plan: CEZ:AV0Z1010914 Keywords : cuprates * electronic excitations * electron energy-loss spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.069, year: 2004

A Strategy for Magnifying Vibration in High-Energy Orbits of a Bistable Oscillator at Low Excitation Levels

International Nuclear Information System (INIS)

Wang Guang-Qing; Liao Wei-Hsin

2015-01-01

This work focuses on how to maintain a high-energy orbit motion of a bistable oscillator when subjected to a low level excitation. An elastic magnifier (EM) positioned between the base and the bistable oscillator is used to magnify the base vibration displacement to significantly enhance the output characteristics of the bistable oscillator. The dimensionless electromechanical equations of the bistable oscillator with an EM are derived, and the effects of the mass and stiffness ratios between the EM and the bistable oscillator on the output displacement are studied. It is shown that the jump phenomenon occurs at a lower excitation level with increasing the mass and stiffness ratios. With the comparison of the displacement trajectories and the phase portraits obtained from experiments, it is validated that the bistable oscillator with an EM can effectively oscillate in a high-energy orbit and can generate a superior output vibration at a low excitation level as compared with the bistable oscillator without an EM. (paper)

Excitation of higher lying energy states in a rubidium DPAL

Science.gov (United States)

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

2018-02-01

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

A simplified approach for the coupling of excitation energy transfer

Energy Technology Data Exchange (ETDEWEB)

Shi Bo [Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei 230026 (China); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China); Gao Fang, E-mail: gaofang@iim.ac.cn [Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); State Key Laboratory of Robotics, Shenyang Institute of Automation, Chinese Academy of Sciences, Shenyang 110016 (China); Liang Wanzhen [Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei 230026 (China); Department of Chemical Physics, University of Science and Technology of China, Hefei 230026 (China)

2012-02-06

Highlights: Black-Right-Pointing-Pointer We propose a simple method to calculate the coupling of singlet-to-singlet and triplet-to-triplet energy transfer. Black-Right-Pointing-Pointer Coulomb term are the major contribution to the coupling of singlet-to-singlet energy transfer. Black-Right-Pointing-Pointer Effect from the intermolecular charge-transfer states dorminates in triplet-to-triplet energy transfer. Black-Right-Pointing-Pointer This method can be expanded by including correlated wavefunctions. - Abstract: A simplified approach for computing the electronic coupling of nonradiative excitation-energy transfer is proposed by following Scholes et al.'s construction on the initial and final states [G.D. Scholes, R.D. Harcourt, K.P. Ghiggino, J. Chem. Phys. 102 (1995) 9574]. The simplification is realized through defining a set of orthogonalized localized MOs, which include the polarization effect of the charge densities. The method allows calculating the coupling of both the singlet-to-singlet and triplet-to-triplet energy transfer. Numerical tests are performed for a few of dimers with different intermolecular orientations, and the results demonstrate that Coulomb term are the major contribution to the coupling of singlet-to-singlet energy transfer whereas in the case of triplet-to-triplet energy transfer, the dominant effect is arisen from the intermolecular charge-transfer states. The present application is on the Hartree-Fock level. However, the correlated wavefunctions which are normally expanded in terms of the determinant wavefunctions can be employed in the similar way.

Continuum corrections to the level density and its dependence on excitation energy, n-p asymmetry, and deformation

International Nuclear Information System (INIS)

Charity, R.J.; Sobotka, L.G.

2005-01-01

In the independent-particle model, the nuclear level density is determined from the neutron and proton single-particle level densities. The single-particle level density for the positive-energy continuum levels is important at high excitation energies for stable nuclei and at all excitation energies for nuclei near the drip lines. This single-particle level density is subdivided into compound-nucleus and gas components. Two methods are considered for this subdivision: In the subtraction method, the single-particle level density is determined from the scattering phase shifts. In the Gamov method, only the narrow Gamov states or resonances are included. The level densities calculated with these two methods are similar; both can be approximated by the backshifted Fermi-gas expression with level-density parameters that are dependent on A, but with very little dependence on the neutron or proton richness of the nucleus. However, a small decrease in the level-density parameter is predicted for some nuclei very close to the drip lines. The largest difference between the calculations using the two methods is the deformation dependence of the level density. The Gamov method predicts a very strong peaking of the level density at sphericity for high excitation energies. This leads to a suppression of deformed configurations and, consequently, the fission rate predicted by the statistical model is reduced in the Gamov method

Energies and damping rates of elementary excitations in spin-1 Bose-Einstein-condensed gases

International Nuclear Information System (INIS)

Szirmai, Gergely; Szepfalusy, Peter; Kis-Szabo, Krisztian

2003-01-01

The finite temperature Green's function technique is used to calculate the energies and damping rates of the elementary excitations of homogeneous, dilute, spin-1 Bose gases below the Bose-Einstein condensation temperature in both the density and spin channels. For this purpose a self-consistent dynamical Hartree-Fock model is formulated, which takes into account the direct and exchange processes on equal footing by summing up certain classes of Feynman diagrams. The model is shown to satisfy the Goldstone theorem and to exhibit the hybridization of one-particle and collective excitations correctly. The results are applied to gases of 23 Na and 87 Rb atoms

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

Science.gov (United States)

Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

2015-09-28

We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

First Principles Calculations of Electronic Excitations in 2D Materials

DEFF Research Database (Denmark)

Rasmussen, Filip Anselm

electronic transport, optical and chemical properties. On the other hand it has shown to be a great starting point for a systematic pertubation theory approach to obtain the so-called quasiparticle spectrum. In the GW approximation one considers the considers the potential from a charged excitation...... as if it is being screened by the electrons in the material. This method has been very successful for calculating quasiparticle energies of bulk materials but results have been more varying for 2D materials. The reason is that the 2D confined electrons are less able to screen the added charge and some...

Systematic study of photoluminescence upon band gap excitation in perovskite-type titanates R 1/2Na1/2TiO3:Pr (R=La, Gd, Lu, and Y)

International Nuclear Information System (INIS)

Inaguma, Yoshiyuki; Tsuchiya, Takeshi; Katsumata, Tetsuhiro

2007-01-01

Pr 3+ -doped perovskites R 1/2 Na 1/2 TiO 3 :Pr (R=La, Gd, Lu, and Y) were synthesized, and their structures, optical absorption and luminescent properties were investigated, and the relationship between structures and optical properties are discussed. Optical band gap of R 1/2 Na 1/2 TiO 3 increases in the order R=La, Gd, Y, and Lu, which is primarily due to a decrease in band width accompanied by a decrease in Ti-O-Ti bond angle. Intense red emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed for all compounds. The wavelength of emission peaks was red-shifted in the order R=La, Gd, Y, and Lu, which originates from the increase in crystal field splitting of Pr 3+ . This is attributed to the decrease in inter-atomic distances of Pr-O together with the inter-atomic distances (R, Na)-O, i.e., increase in covalency between Pr and O. The results indicate that the luminescent properties in R 1/2 Na 1/2 TiO 3 :Pr are governed by the relative energy level between the ground and excited state of 4f 2 for Pr 3+ , and the conduction and valence band, which is primarily dependent on the structure, e.g., the tilt of TiO 6 octahedra and the Pr-Ti inter-atomic distance and the site symmetry of Pr ion. - Graphical abstract: The red intense emission assigned to f-f transition of Pr 3+ from the excited 1 D 2 level to the ground 3 H 4 state upon the band gap photo-excitation (UV) was observed upon the band gap photo-excitation in perovskites R 1/2 Na 1/2 TiO 3 :Pr(R=La, Gd, Lu, and Y). It was found that the systematic changes in their luminescent properties are strongly dependent on the structure

Systematics of fission cross sections at the intermediate energy region

Energy Technology Data Exchange (ETDEWEB)

Fukahori, Tokio; Chiba, Satoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1997-03-01

The systematics was obtained with fitting experimental data for proton induced fission cross sections of Ag, {sup 181}Ta, {sup 197}Au, {sup 206,207,208}Pb, {sup 209}Bi, {sup 232}Th, {sup 233,235,238}U, {sup 237}Np and {sup 239}Pu above 20 MeV. The low energy cross section of actinoid nuclei is omitted from systematics study, since the cross section has a complicated shape and strongly depends on characteristic of nucleus. The fission cross sections calculated by the systematics are in good agreement with experimental data. (author)

A pair natural orbital based implementation of CCSD excitation energies within the framework of linear response theory

Science.gov (United States)

Frank, Marius S.; Hättig, Christof

2018-04-01

We present a pair natural orbital (PNO)-based implementation of coupled cluster singles and doubles (CCSD) excitation energies that builds upon the previously proposed state-specific PNO approach to the excited state eigenvalue problem. We construct the excited state PNOs for each state separately in a truncated orbital specific virtual basis and use a local density-fitting approximation to achieve an at most quadratic scaling of the computational costs for the PNO construction. The earlier reported excited state PNO construction is generalized such that a smooth convergence of the results for charge transfer states is ensured for general coupled cluster methods. We investigate the accuracy of our implementation by applying it to a large and diverse test set comprising 153 singlet excitations in organic molecules. Already moderate PNO thresholds yield mean absolute errors below 0.01 eV. The performance of the implementation is investigated through the calculations on alkene chains and reveals an at most cubic cost-scaling for the CCSD iterations with the system size.

Structures excited by heavy ions in 208Pb target. Interpretation involving giant resonances and multiphonon excitations

International Nuclear Information System (INIS)

Chomaz, P.

1984-01-01

Kinetic energy spectra of heavy fragments from the 36Ar+208Pb reaction at 11 MeV/n and 20 Ne+ 208 Pb at 30 MeV/n have been measured with a time of flight spectrometer. Numerous structures ranging up to 100 MeV excitation energy are observed in the inelastic and few nucleon transfer channels. These structures are shown to be due to an excitation of the 208 Pb target nucleus and not to decay products of excited ejectiles. Positions of low lying structures (E* 208 Pb. The linear response of the target nucleus to the external field created by the projectile is calculated microscopically in the Random Phase Approximation resolved using the Green's function method in coordinate space with a Skyrme interaction. In the independant quasi-boson approximation multiple phonon excitations reproduce the main features of the experimental data and appear as a plausible interpretation of the observed structures. The theoretical calculations and experimental observations suggest that multiphonon excitations play an important role in heavy ion reactions and contribute strongly to the kinetic energy dissipation [fr

Collective and single-particle states at high excitation energy

International Nuclear Information System (INIS)

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

2000-01-01

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

Impurity binding energy of lowest-excited state in (In,Ga)N–GaN spherical QD under electric field effect

International Nuclear Information System (INIS)

Ghazi, Haddou El; Jorio, Anouar; Zorkani, Izeddine

2013-01-01

External electric field effect on the lowest-excited state in wurtzite (In,Ga)N–GaN spherical quantum dot is considered. By means of a traditional Ritz variational method within the effective-mass approximation and finite potential barrier, the lowest-excited state energy with and without the presence of the impurity is investigated. The normalized binding energy under electric field effect is also performed. Our numerical results are compared with the previous theoretical findings and show a good agreement with those concerning especially the ground-state for different semiconductors materials and different QDs-shapes

Impurity binding energy of lowest-excited state in (In,Ga)N–GaN spherical QD under electric field effect

Energy Technology Data Exchange (ETDEWEB)

Ghazi, Haddou El, E-mail: hadghazi@gmail.com [LPS, Faculty of Sciences, Dhar EL Mehrez, B.P 1796 Atlas, Fez (Morocco); Special Mathematics, CPGE Kénitra (Morocco); Jorio, Anouar; Zorkani, Izeddine [LPS, Faculty of Sciences, Dhar EL Mehrez, B.P 1796 Atlas, Fez (Morocco)

2013-10-01

External electric field effect on the lowest-excited state in wurtzite (In,Ga)N–GaN spherical quantum dot is considered. By means of a traditional Ritz variational method within the effective-mass approximation and finite potential barrier, the lowest-excited state energy with and without the presence of the impurity is investigated. The normalized binding energy under electric field effect is also performed. Our numerical results are compared with the previous theoretical findings and show a good agreement with those concerning especially the ground-state for different semiconductors materials and different QDs-shapes.

The study of quasi-projectiles produced in Ni+Ni and Ni+Au collisions: excitation energy and spin

International Nuclear Information System (INIS)

Buta, A.

2003-02-01

During the collision between the projectile and the target nuclei in the intermediate energy regime (E < 100 MeV/nucleon) two excited nuclei are mainly observed in the exit channel, the quasi projectile (QP) and the quasi target. They disintegrate by particle emission. However, this binary picture is perturbed by the emission of particles and light fragments with velocities intermediate between the projectile velocity and the target one, all along the interaction (midrapidity component). This work aim to determine the excitation energy and the intrinsic angular momentum (or spin) of quasi-projectiles produced in the Ni+Ni and Ni+Au collisions at 52 and 90 MeV/nucleon. The excitation energy is deduced from the kinematical characteristics of particles emitted by the quasi-projectile. They have to be separated from midrapidity particles. Three different scenarios have been used for this purpose. The spin of the quasi-projectile has been extracted from the experimental data by mean of proton and alpha particles multiplicities emitted by the QP in the Ni+Au at 52 MeV/nucleon reaction. The results have been compared to the predictions of a theoretical model based on nucleon transfers. Their evolution is qualitatively reproduced as a function of the violence of the collision. (author)

New mode of magnetic excitation in praseodymium

DEFF Research Database (Denmark)

Clausen, K.N.; McEwen, K.A.; Jensen, J.

1994-01-01

A novel propagating mode of magnetic excitation has been observed in Pr. It takes the form of low-energy satellites to the crystal-field excitations on both the hexagonal and cubic sites which are very broad at long wavelengths, rise in energy and rapidly narrow with increasing q, and disappear...... beyond the point at which the two excitations would cross. The broadening may be abruptly quenched by a magnetic field. The satellite excitations are believed to be associated with the dynamics of the conduction electrons....

Systematics on incomplete fusion dynamics at low energy

International Nuclear Information System (INIS)

Rahbar Ali; Afzal Ansari, M.; Kumar, Harish

2016-01-01

In the present work, an attempt has been made to study CF and ICF reaction dynamics extensively by using activation and particle-γ coincidence techniques. The excitation functions (EFs) of evaporation residues (ERs) in 20 Ne + 55 Mn, 19 F + 144 Sm, 20 Ne + 159 Tb and 16 O + 156 Gd systems in the energy range ∼ 3-8 MeV/nucleon have been measured by using recoil catcher activation technique followed by γ-ray spectrometry

Collective nuclear excitations with Skyrme-second random-phase approximation

International Nuclear Information System (INIS)

Gambacurta, D.; Catara, F.; Grasso, M.

2010-01-01

Second random-phase approximation (RPA) calculations with a Skyrme force are performed to describe both high- and low-lying excited states in 16 O. The coupling between one particle-one hole and two particle-two hole as well as that between two particle-two hole configurations among themselves are fully taken into account, and the residual interaction is never neglected; we do not resort therefore to a generally used approximate scheme where only the first kind of coupling is considered. The issue of the rearrangement terms in the matrix elements beyond the standard RPA will be considered in detail in a forthcoming paper. Two approximations are employed here for these rearrangement terms: they are either neglected or evaluated with the RPA procedure. As a general feature of second RPA results, a several-MeV shift of the strength distribution to lower energies is systematically found with respect to RPA distributions. A much more important fragmentation of the strength is also naturally provided by the second RPA owing to the huge number of two particle-two hole configurations. A better description of the excitation energies of the low-lying 0 + and 2 + states is obtained with the second RPA than with the RPA.

Probing core polarization around 78Ni: intermediate energy Coulomb excitation of 74Ni

Directory of Open Access Journals (Sweden)

Marchi T.

2013-12-01

We have recently measured the B(E2; 0+ → 2+ of the 74Ni nucleus in an intermediate-energy Coulomb excitation experiment performed at the National Superconducting Cyclotron Laboratory of the Michigan State University. The 74Ni secondary beam has been produced by fragmentation of 86Kr at 140 AMeV on a thick Be target. Selected radioactive fragments impinged on a secondary 197Au target where the measurement of the emitted γ-rays allows to extract the Coulomb excitation cross section and related structure information. Preliminary B(E2 values do not point towards an enhancement of the transition matrix element and the comparison to what was already measured by Aoi and co-workers in [1] opens new scenarios in the interpretation of the shell evolution of the Z=28 isotopes.

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

Frontiers in propulsion research: Laser, matter-antimatter, excited helium, energy exchange thermonuclear fusion

Science.gov (United States)

Papailiou, D. D. (Editor)

1975-01-01

Concepts are described that presently appear to have the potential for propulsion applications in the post-1990 era of space technology. The studies are still in progress, and only the current status of investigation is presented. The topics for possible propulsion application are lasers, nuclear fusion, matter-antimatter annihilation, electronically excited helium, energy exchange through the interaction of various fields, laser propagation, and thermonuclear fusion technology.

Improving the evidence base for energy policy: The role of systematic reviews

International Nuclear Information System (INIS)

Sorrell, Steve

2007-01-01

The concept of evidence-based policy and practice (EBPP) has gained increasing prominence in the UK over the last 10 years and now plays a dominant role in a number of policy areas, including healthcare, education, social work, criminal justice and urban regeneration. But despite this substantial, influential and growing activity, the concept remains largely unknown to policymakers and researchers within the energy field. This paper defines EBPP, identifies its key features and examines the potential role of systematic reviews of evidence in a particular area of policy. It summarises the methods through which systematic reviews are achieved; discusses their advantages and limitations; identifies the particular challenges they face in the energy policy area; and assesses whether and to what extent they can usefully be applied to contemporary energy policy questions. The concept is illustrated with reference to a proposed review of evidence for a 'rebound effect' from improved energy efficiency. The paper concludes that systematic reviews may only be appropriate for a subset of energy policy questions and that research-funding priorities may need to change if their use is to become more widespread

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Electron emission from materials at low excitation energies

International Nuclear Information System (INIS)

Urma, N.; Kijek, M.; Millar, J.J.

1996-01-01

Full text: An experimental system has been designed and developed with the purpose of measuring the total electron emission yield from materials at low energy excitation. In the first instance the reliability of the system was checked by measuring the total electron emission yield for a well defined surface (aluminium 99.45%). The obtained data was in the expected range given by the literature, and consequently the system will be used further for measuring the total electron yield for a range of materials with interest in the instrumentation industry. We intend to measure the total electron emission yield under electron bombardment as a function of incident electron energy up to 1200 eV, angle of incidence, state of the surface and environment to which the surface has been exposed. Dependence of emission on total electron irradiated dose is also of interest. For many practical application of the 'Secondary Electron Emission', the total electron yield is desired to be as large as possible. The above phenomenon has practical applicability in electron multiplier tube and Scanning electron microscopy - when by means of the variation of the yield of the emitted electrons one may produce visible images of small sample areas. The electron multiplier tube, is a device which utilises the above effect to detect and amplify both single particles and low currents streams of charged particles. The majority of electron tubes use electrons with low energy, hundreds of eV. Not a lot has been published in the literature about this regime and also about the emission when the impinging electrons have small energy, up to 1 KeV. The information obtained from the experimental measurements concerning the total electron emission yield is used to asses the investigated materials as a potential electron emitting surfaces or dynodes in an electron multiplier tube

High Excitation Transfer Efficiency from Energy Relay Dyes in Dye-Sensitized Solar Cells

KAUST Repository

Hardin, Brian E.

2010-08-11

The energy relay dye, 4-(Dicyanomethylene)-2-methyl-6-(4- dimethylaminostyryl)-4H-pyran (DCM), was used with a near-infrared sensitizing dye, TT1, to increase the overall power conversion efficiency of a dye-sensitized solar cell (DSC) from 3.5% to 4.5%. The unattached DCM dyes exhibit an average excitation transfer efficiency (EÌ?TE) of 96% inside TT1-covered, mesostructured TiO2 films. Further performance increases were limited by the solubility of DCM in an acetonitrile based electrolyte. This demonstration shows that energy relay dyes can be efficiently implemented in optimized dye-sensitized solar cells, but also highlights the need to design highly soluble energy relay dyes with high molar extinction coefficients. © 2010 American Chemical Society.

Spectroscopy and reactions of vibrationally excited transient molecules

Energy Technology Data Exchange (ETDEWEB)

Dai, H.L. [Univ. of Pennsylvania, Philadelphia (United States)

1993-12-01

Spectroscopy, energy transfer and reactions of vibrationally excited transient molecules are studied through a combination of laser-based excitation techniques and efficient detection of emission from the energized molecules with frequency and time resolution. Specifically, a Time-resolved Fourier Transform Emission Spectroscopy technique has been developed for detecting dispersed laser-induced fluorescence in the IR, visible and UV regions. The structure and spectroscopy of the excited vibrational levels in the electronic ground state, as well as energy relaxation and reactions induced by specific vibronic excitations of a transient molecule can be characterized from time-resolved dispersed fluorescence in the visible and UV region. IR emissions from highly vibrational excited levels, on the other hand, reveal the pathways and rates of collision induced vibrational energy transfer.

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

Excitation dynamics and relaxation in a molecular heterodimer

International Nuclear Information System (INIS)

Balevičius, V.; Gelzinis, A.; Abramavicius, D.; Mančal, T.; Valkunas, L.

2012-01-01

Highlights: ► Dynamics of excitation within a heterogenous molecular dimer. ► Excited states can be swapped due to different reorganization energies of monomers. ► Conventional excitonic basis becomes renormalized due to interaction with the bath. ► Relaxation is independent of mutual positioning of monomeric excited states. -- Abstract: The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two molecules modeled as two-level systems coupled by the resonance interaction. The system-bath coupling is taken into account as a modulating factor of the molecular excitation energy gap, while the relaxation to the ground state is treated phenomenologically. Comparison of the description of the excitation dynamics modeled using either the Redfield equations (secular and full forms) or the Hierarchical quantum master equation (HQME) is demonstrated and discussed. Possible role of the dimer as an excitation quenching center in photosynthesis self-regulation is discussed. It is concluded that the system-bath interaction rather than the excitonic effect determines the excitation quenching ability of such a dimer.

Determination of minimum impact parameter by modified touching spheres schemes for intermediate energy Coulomb excitation experiments

International Nuclear Information System (INIS)

Kumar, Rajiv; Sharma, Shagun; Singh, Pradeep; Kharab, Rajesh

2016-01-01

The energy-independent touching spheres schemes commonly used for the determination of the safe minimum value of the impact parameter for Coulomb excitation experiments are modified through the inclusion of an energy-dependent term. The touching spheres+3fm scheme after modification emerges out to be the best one while touching spheres+4fm scheme is found to be better in its unmodified form. (orig.)

Evolution of the low-energy excitation spectrum from the pure Hubbard ladder to the SO(5) ladder: A numerical study

International Nuclear Information System (INIS)

Duffy, D.; Haas, S.; Kim, E.

1998-01-01

The Hubbard Hamiltonian on a two-leg ladder is studied numerically using quantum Monte Carlo and exact diagonalization techniques. A rung interaction, V, is turned on such that the resulting model has an exact SO(5) symmetry when V=-U. The evolution of the low-energy excitation spectrum is presented from the pure Hubbard ladder to the SO(5) ladder. It is shown that the low-energy excitations in the pure Hubbard ladder have an approximate SO(5) symmetry. copyright 1998 The American Physical Society

Low energy excitations in superconducting La1.86Sr0.14CuO4

DEFF Research Database (Denmark)

Mason, T.E.; Aeppli, G.; Hayden, S.M.

1993-01-01

We present magnetic neutron scattering and specific heat data on the high-T(c) superconductor La1.86Sr0.14CuO4. Even when the samples are superconducting and the magnetic response, chi'', is suppressed, there are excitations with energies well below 3.5k(B)T(c). The wave-vector dependence of chi...

The 4p6 autoionization cross section of Rb atoms excited by low-energy electron impact

International Nuclear Information System (INIS)

Borovik, A; Roman, V; Kupliauskienė, A

2012-01-01

The autoionization cross section of rubidium atoms was obtained by measuring the total normalized intensities of ejected-electron spectra arising from the decay of the 4p 5 n 1 l 1 n 2 l 2 autoionizing levels. The electron impact energy range from the 4p 6 excitation threshold at 15.31 up to 50 eV was investigated. The cross section reaches the maximum value of (2.9 ± 0.6) × 10 −16  cm 2 at 21.8 eV impact energy. The general behaviours of the cross section and the role of particular autoionizing configurations in its formation were considered on the basis of large-scale configuration interaction calculations of energies, cross sections, autoionization probabilities in 5snl(n ⩽ 7; l ⩽ 4) and 4d nl(n ⩽ 5; l ⩽ 2) configurations as well as the measured excitation functions for the lowest levels in 5s 2 and 4d5s configurations. The resonance behaviour of the cross section between 15.3 and 18.5 eV impact energy is caused exclusively by the negative-ion resonances present close to the excitation thresholds of the (5s 2 ) 2 P and (4d5s) 4 P autoionizing levels. At higher impact energies, the autoionization cross section is composed of contributions from the high-lying quartet and doublet levels in 4d5s, 5p and 5s5p, 5d, 6s, 6p configurations. From the comparison of the present data with available experimental and calculated ionization cross sections, the 5s + 4p 6 direct ionization cross section of rubidium atoms was determined with the maximum value of (7.2 ± 2.2) × 10 −16  cm 2 at 36 eV. It was also found that the 4p 6 excitation–autoionization is the dominant indirect ionization process contributing over 30% of the total single ionization of rubidium atoms by electron impact in the 15.3–50 eV energy range. (paper)

Direct observation of low energy nuclear spin excitations in HoCrO3 by high resolution neutron spectroscopy.

Science.gov (United States)

Chatterji, T; Jalarvo, N; Kumar, C M N; Xiao, Y; Brückel, Th

2013-07-17

We have investigated low energy nuclear spin excitations in the strongly correlated electron compound HoCrO3. We observe clear inelastic peaks at E = 22.18 ± 0.04 μeV in both energy loss and gain sides. The energy of the inelastic peaks remains constant in the temperature range 1.5-40 K at which they are observed. The intensity of the inelastic peak increases at first with increasing temperature and then decreases at higher temperatures. The temperature dependence of the energy and intensity of the inelastic peaks is very unusual compared to that observed in other Nd, Co, V and also simple Ho compounds. Huge quasielastic scattering appears at higher temperatures presumably due to the fluctuating electronic moments of the Ho ions that get increasingly disordered at higher temperatures. The strong quasielastic scattering may also originate in the first Ho crystal-field excitations at about 1.5 meV.

Generalization of the variational principle and the Hohenberg and Kohn theorems for excited states of Fermion systems

Energy Technology Data Exchange (ETDEWEB)

Gonis, A., E-mail: gonis@comcast.net

2017-01-05

Through the entanglement of a collection of K non-interacting replicas of a system of N interacting Fermions, and making use of the properties of reduced density matrices the variational principle and the theorems of Hohenberg and Kohn are generalized to excited states. The generalization of the variational principle makes use of the natural orbitals of an N-particle density matrix describing the state of lowest energy of the entangled state. The extension of the theorems of Hohenberg and Kohn is based on the ground-state formulation of density functional theory but with a new interpretation of the concept of a ground state: It is the state of lowest energy of a system of KN Fermions that is described in terms of the excited states of the N-particle interacting system. This straightforward implementation of the line of reasoning of ground-state density functional theory to a new domain leads to a unique and logically valid extension of the theory to excited states that allows the systematic treatment of all states in the spectrum of the Hamiltonian of an interacting system. - Highlights: • Use of entanglement in connection with the properties of density matrices. • An anti-symmetric entangled state of order KN expressed in terms of excited states of an interacting N-particle system.

Low-energy charge transfer excitations in NiO

International Nuclear Information System (INIS)

Sokolov, V I; Yermakov, A Ye; Uimin, M A; Gruzdev, N B; Pustovarov, V A; Churmanov, V N; Ivanov, V Yu; Sokolov, P S; Baranov, A N; Moskvin, A S

2012-01-01

Comparative analysis of photoluminescence (PL) and photoluminescence excitation (PLE) spectra of NiO poly- and nanocrystals in the spectral range 2-5.5 eV reveals two PLE bands peaked near 3.7 and 4.6 eV with a dramatic rise in the low-temperature PLE spectral weight of the 3.7 eV PLE band in the nanocrystalline NiO as compared with its polycrystalline counterpart. In frames of a cluster model approach we assign the 3.7 eV PLE band to the low-energy bulk-forbidden p-d (t 1g (π)-e g ) charge transfer (CT) transition which becomes the allowed one in the nanocrystalline state while the 4.6 eV PLE band is related to a bulk allowed d-d (e g -e g ) CT transition scarcely susceptible to the nanocrystallization. The PLE spectroscopy of the nanocrystalline materials appears to be a novel informative technique for inspection of different CT transitions.

Fission lifetime measured by the blocking technique as a function of excitation energy in the 24 A.MeV 238U+28Si reaction

International Nuclear Information System (INIS)

Morjean, M.; Galin, J.; Goldenbaum, F.; Lienard, E.; Chevallier, M.; Dauvergne, D.; Kirsch, R.; Jacquet, D.; and others.

1997-01-01

The blocking technique was used to infer fission lifetimes as a function of excitation energy for uranium-like nuclei formed in the U+Si reactions at 24 MeV/nucleon. The fission lifetimes are found larger than 10 -19 s for excitation energies up to about 250 MeV. (K.A.)

Excitation functions for some evaporation residues identified in the interaction of 20Ne and 93Nb at moderate excitation energies

International Nuclear Information System (INIS)

Agarwal, Avinash; Rizvi, I.A.; Gupta, Meenal; Ahamad, Tauseef; Ghugre, S.S.; Sinha, A.K.; Chaubey, A.K.

2008-01-01

With the motivation of studying the complete and incomplete fusion reactions, excitation functions for the reactions 93 Nb(Ne, p2n) 110 Sn, 93 Nb(Ne, 2pn) 110 In, 93 Nb(Ne, 2p2n) 109 In, 93 Nb(Ne, αn) 108 In, 93 Nb(Neα2n) 107 In and 93 Nb(Ne, α p n) 107 Cd have been measured at the incident energy ranging from 91.4 MeV - 145 MeV. The well established activation technique followed by off line high purity gamma- ray spectroscopy was employed. The measured excitation functions were compared with the statistical model calculations by using the codes ALICE-91 and Pace-4. The effect of variation of different parameters including level density parameter involved in these codes has also been studied. Excellent agreement was found between theoretical and experimental values in some of the fusion evaporation reaction channels. However, significant enhancement of cross-section observed in α-emission channels may be due to incomplete fusion process. (author)

Validations of CNDOL approximate Hamiltonian as a fast and reliable method to obtain vertical excitation energies in polyatomic systems

International Nuclear Information System (INIS)

Montero-Alejo, Ana L.; Gonzalez-Santana, Susana; Montero-Cabrera, Luis A.; Hernandez-Rodriguez, Erix Wiliam; Fuentes-Montero, Maria Elena; Bunge-Molina, Carlos F.; Gonzalez, Augusto

2008-01-01

Theoretical prediction of vertical excitation energies and an estimation of charge distributions of polyatomic systems can be calculated, through the configuration interaction of single (CIS) excited determinants procedure, with the CNDOL (Complete Neglect of Differential Overlap considering the l azimuthal quantum number) Hamiltonians. This method does not use adjusted parameters to fit experimental data and only employ a priori data on atomic orbitals and simple formulas to substitute large computations of electronic integrals. In this sense, different functions for bi-electron integrals have been evaluated in order to improve the approximate Hamiltonian. The reliability of predictions and theoretical consistence has been tested with a benchmark set of organic molecules that covers important classes of chromophores including polyenes and other unsaturated aliphatic compounds, aromatic, hydrocarbons, heterocycles, carbonyl compounds, and nucleobases. The calculations are done at identical geometries (MP2) with the same basis set (6-31G) for these medium-sized molecules and the obtained results were statistically compared with other analogous methods and experimental data. The accuracy of prediction of each CNDOL vertical transitions energy increases while the active space is more complete allowing the best variational optimization of CIS matrices i.e. molecular excited states. Moreover and due to the feasible computation procedure for large polyatomic systems, the studies have been extended, as a preliminary work, in the field of optoelectronic materials for photovoltaic applications. Hence, the excitation energies of different conjugated Phenyl-cored Thiophene Dendrimers optimized by DFT (Density Functional Theory) were calculated and show good agreement with the experiment data. The predicted charge distribution during the excitation contributes to understand the photophysics process on these kind materials. (Full text)

Strategies to enhance the excitation energy-transfer efficiency in a light-harvesting system using the intra-molecular charge transfer character of carotenoids

Energy Technology Data Exchange (ETDEWEB)

Yukihira, Nao [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Sugai, Yuko [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Fujiwara, Masazumi [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Kosumi, Daisuke [Institute of Pulsed Power Science; Kumamoto University; Kumamoto; Japan; Iha, Masahiko [South Product Co. Ltd.; Uruma-shi; Japan; Sakaguchi, Kazuhiko [Department of Chemistry; Graduate School of Science; Osaka City University; Osaka 558-8585; Japan; Katsumura, Shigeo [Department of Chemistry; Graduate School of Science; Osaka City University; Osaka 558-8585; Japan; Gardiner, Alastair T. [Glasgow Biomedical Research Centre; University of Glasgow; 126 University Place; Glasgow, G12 8QQ; UK; Cogdell, Richard J. [Glasgow Biomedical Research Centre; University of Glasgow; 126 University Place; Glasgow, G12 8QQ; UK; Hashimoto, Hideki [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan

2017-01-01

Fucoxanthin is a carotenoid that is mainly found in light-harvesting complexes from brown algae and diatoms. Due to the presence of a carbonyl group attached to polyene chains in polar environments, excitation produces an excited intra-molecular charge transfer. This intra-molecular charge transfer state plays a key role in the highly efficient (~95%) energy-transfer from fucoxanthin to chlorophyllain the light-harvesting complexes from brown algae. In purple bacterial light-harvesting systems the efficiency of excitation energy-transfer from carotenoids to bacteriochlorophylls depends on the extent of conjugation of the carotenoids. In this study we were successful, for the first time, in incorporating fucoxanthin into a light-harvesting complex 1 from the purple photosynthetic bacterium,Rhodospirillum rubrumG9+ (a carotenoidless strain). Femtosecond pump-probe spectroscopy was applied to this reconstituted light-harvesting complex in order to determine the efficiency of excitation energy-transfer from fucoxanthin to bacteriochlorophyllawhen they are bound to the light-harvesting 1 apo-proteins.

Excitation of the 4.3-μm bands of CO2 by low-energy electrons

International Nuclear Information System (INIS)

Bulos, R.R.; Phelps, A.V.

1976-01-01

Rate coefficients for the excitation of the 4.3-μm bands of CO 2 by low-energy electrons in CO 2 have been measured using a drift-tube technique. The CO 2 density [(1.5 to 7) x 10 17 molecules/cm 3 ] was chosen to maximize the radiation reaching the detector. Line-by-line transmission calculations were used to take into account the absorption of 4.3-μm radiation. A small fraction of the approximately 10 -8 W of the 4.3-μm radiation produced by the approximately 10 -7 -A electron current was incident on an InSb photovoltaic detector. The detector calibration and absorption calculations were checked by measuring the readily calculated excitation coefficients for vibrational excitation of N 2 containing a small concentration of CO 2 . For pure CO 2 the number of molecules capable of emitting 4.3-μm radiation produced per cm of electron drift and per CO 2 molecule varied from 10 -17 cm -2 at E/N = 6 x 10 -17 V cm 2 to 5.4 x 10 -16 cm -2 at E/N = 4 x 10 -16 V cm 2 . Here E is the electric field and N is total gas density. The excitation coefficients at lower E/N are much larger than estimated previously. A set of vibrational excitation cross sections is obtained for CO 2 which is consistent with the excitation coefficient data and with most of the published electron-beam data

Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of View.

Science.gov (United States)

Wang, Jun; Huang, Jing; Du, Likai; Lan, Zhenggang

2015-07-09

The photoinduced intramolecular excited-state energy-transfer (EET) process in conjugated polymers has received a great deal of research interest because of its important role in the light harvesting and energy transport of organic photovoltaic materials in photoelectric devices. In this work, the silylene-bridged biphenyl and stilbene (SBS) system was chosen as a simplified model system to obtain physical insight into the photoinduced intramolecular energy transfer between the different building units of the SBS copolymer. In the SBS system, the vinylbiphenyl and vinylstilbene moieties serve as the donor (D) unit and the acceptor (A) unit, respectively. The ultrafast excited-state dynamics of the SBS system was investigated from the point of view of nonadiabatic dynamics with the surface-hopping method at the TDDFT level. The first two excited states (S1 and S2) are characterized by local excitations at the acceptor (vinylstilbene) and donor (vinylbiphenyl) units, respectively. Ultrafast S2-S1 decay is responsible for the intramolecular D-A excitonic energy transfer. The geometric distortion of the D moiety play an essential role in this EET process, whereas the A moiety remains unchanged during the nonadiabatic dynamics simulation. The present work provides a direct dynamical approach to understand the ultrafast intramolecular energy-transfer dynamics in SBS copolymers and other similar organic photovoltaic copolymers.

Excitation energy deactivation funnel in 3-substituted BODIPY-porphyrin conjugate

International Nuclear Information System (INIS)

Nguyen, Nguyen Tran; Verbelen, Bram; Leen, Volker; Waelkens, Etienne; Dehaen, Wim; Kruk, Mikalai

2016-01-01

BODIPYs absorb in the visible region which is complementary to that of porphyrins and therefore can be suggested as promising antenna groups to improve the light-harvesting potential of porphyrins. A boron-dipyrromethene dye was combined at the 3-position with a Zn-porphyrin to afford a conjugate. The fluorescence of the conjugate was found to originate from the BODIPY moiety independently of the excitation wavelength due to an unique set of energy transfer rates between the BODIPY and Zn-porphyrin moieties. The fluorescence intensity was shown to be tunable over a wide range using the solvent properties. This feature makes the studied BODIPY-porphyrin conjugate a promising compound for the design of new photochromic devices.

Excitation energy deactivation funnel in 3-substituted BODIPY-porphyrin conjugate

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Nguyen Tran [Chemistry Department, University of Education, The University of DaNang, Ton Duc Thang 459, Da Nang (Viet Nam); Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Verbelen, Bram; Leen, Volker [Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Waelkens, Etienne [Department of Cellular and Molecular Medicine, KU Leuven, Herestraat 49, Box 901, 3000 Leuven (Belgium); Dehaen, Wim, E-mail: wim.dehaen@kuleuven.be [Molecular Design and Synthesis, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven (Belgium); Kruk, Mikalai, E-mail: m.kruk@belstu.by [Belarusian State Technological University, Physics Department, Sverdlov Str., 13a, Minsk 220006 (Belarus)

2016-11-15

BODIPYs absorb in the visible region which is complementary to that of porphyrins and therefore can be suggested as promising antenna groups to improve the light-harvesting potential of porphyrins. A boron-dipyrromethene dye was combined at the 3-position with a Zn-porphyrin to afford a conjugate. The fluorescence of the conjugate was found to originate from the BODIPY moiety independently of the excitation wavelength due to an unique set of energy transfer rates between the BODIPY and Zn-porphyrin moieties. The fluorescence intensity was shown to be tunable over a wide range using the solvent properties. This feature makes the studied BODIPY-porphyrin conjugate a promising compound for the design of new photochromic devices.

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-05-20

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

Nuclear spin and isospin excitations

International Nuclear Information System (INIS)

Osterfeld, F.

1992-01-01

A review is given of our present knowledge of collective spin-isospin excitations in nuclei. Most of this knowledge comes from intermediate-energy charge-exchange reactions and from inelastic electron- and proton-scattering experiments. The nuclear-spin dynamics is governed by the spin-isospin-dependent two-nucleon interaction in the medium. This interaction gives rise to collective spin modes such as the giant Gamow-Teller resonances. An interesting phenomenon is that the measured total Gamow-Teller transition strength in the resonance region is much less than a model-independent sum rule predicts. Two physically different mechanisms have been discussed to explain this so-called quenching of the total Gamow-Teller strength: coupling to subnuclear degrees of freedom in the form of Δ-isobar excitation and ordinary nuclear configuration mixing. Both detailed nuclear structure calculations and extensive analyses of the scattering data suggest that the nuclear configuration mixing effect is the more important quenching mechanism, although subnuclear degrees of freedom cannot be ruled out. The quenching phenomenon occurs for nuclear-spin excitations at low excitation energies (ω∼10--20 MeV) and small-momentum transfers (q≤0.5 fm -1 ). A completely opposite effect is anticipated in the high (ω,q)-transfer region (0≤ω≤500 MeV, 0.5≤q≤3 fm -1 ). The nuclear spin-isospin response might be enhanced due to the attractive pion field inside the nucleus. Charge-exchange reactions at GeV incident energies have been used to study the quasifree peak region and the Δ-resonance region. An interesting result of these experiments is that the Δ excitation in the nucleus is shifted downwards in energy relative to the Δ excitation of the free proton

Role of methylene spacer in the excitation energy transfer in europium 1- and 2- naphthylcarboxylates

Energy Technology Data Exchange (ETDEWEB)

Zhuravlev, K. [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation); Tsaryuk, V., E-mail: vit225@ire216.msk.s [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation); Kudryashova, V.; Pekareva, I. [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation); Sokolnicki, J. [Faculty of Chemistry, University of WrocLaw, 14 F. Joliot-Curie str., WrocLaw 50-383 (Poland); Yakovlev, Yu. [V.A. Kotelnikov Institute of Radioengineering and Electronics of RAS, 1 Vvedenskii sq., Fryazino Moscow reg. 141190 (Russian Federation)

2010-08-15

A series of compounds Ln(RCOO){sub 3}.Phen (Ln=Eu, Gd, Tb; RCOO{sup -}-1- and 2-naphthoate, 1- and 2-naphthylacetate, 1- and 2-naphthoxyacetate anions, Phen-1,10-phenanthroline) was investigated by methods of optical spectroscopy. Compounds of composition Ln(RCOO){sub 3}.nH{sub 2}O with the same carboxylate ligands are also considered. Results of studies of the effects of methylene spacer decoupling the {pi}-{pi}- or p-{pi}-conjugation in the naphthylcarboxylate ligand on the structure of Eu{sup 3+} coordination centre, on the lifetime of {sup 5}D{sub 0} (Eu{sup 3+}) state, and on processes of the excitation energy transfer to Eu{sup 3+} or Tb{sup 3+} ions are presented. Introduction of the methylene bridge in the ligand weakens the influence of the steric hindrances in forming of a crystal lattice and results in lowering the distortion of the Eu{sup 3+} luminescence centre, and in elongation of the observed {sup 5}D{sub 0} lifetime {tau}{sub obs}. The latter is caused by decrease in contribution of the radiative processes rate 1/{tau}{sub r}. This is confirmed by the correlation between the lifetimes {tau}{sub obs} and the quantities '{tau}{sub r}.const' inversely proportional to the total integral intensities of Eu(RCOO){sub 3}.Phen luminescence spectra. The methylene spacer performs a role of regulator of sensitization of the Ln{sup 3+} luminescence efficiency by means of an influence on mutual location of lowest triplet states of the ligands, the ligand-metal charge transfer (LMCT) states, and the emitting states of Ln{sup 3+} ions. The lowest triplet state in lanthanide naphthylcarboxylate adducts with Phen is related to carboxylate anion. A presence of the methylene spacer in naphthylcarboxylate ligand increases the triplet state energy. At the same time, the energy of 'carboxylic group-Eu{sup 3+} ion' charge transfer states falls, which can promote the degradation of excitation energy. In naphthylcarboxylates investigated a range of the

Binding Energy and Lifetime of Excitons in InxGa1-xAs/GaAs Quantum Wells

DEFF Research Database (Denmark)

Orani, D.; Polimeni, A.; Patane, A.

1997-01-01

We report a systematic study of exciton binding energies and lifetimes in InGaAs/GaAs quantum wells. The experimental binding energies have been deduced from photoluminescence excitation measurements taking into account the contribution of the 2s state of the exciton and the line broadening...

Excitation energy dependence of fragment-mass distributions from fission of 180,190Hg formed in fusion reactions of 36Ar + 144,154Sm

Directory of Open Access Journals (Sweden)

K. Nishio

2015-09-01

Full Text Available Mass distributions of fission fragments from the compound nuclei 180Hg and 190Hg formed in fusion reactions 36Ar + 144Sm and 36Ar + 154Sm, respectively, were measured at initial excitation energies of E⁎(Hg180=33–66 MeV and E⁎(Hg190=48–71 MeV. In the fission of 180Hg, the mass spectra were well reproduced by assuming only an asymmetric-mass division, with most probable light and heavy fragment masses A¯L/A¯H=79/101. The mass asymmetry for 180Hg agrees well with that obtained in the low-energy β+/EC-delayed fission of 180Tl, from our earlier ISOLDE(CERN experiment. Fission of 190Hg is found to proceed in a similar way, delivering the mass asymmetry of A¯L/A¯H=83/107, throughout the measured excitation energy range. The persistence as a function of excitation energy of the mass-asymmetric fission for both proton-rich Hg isotopes gives strong evidence for the survival of microscopic effects up to effective excitation energies of compound nuclei as high as 40 MeV. This behavior is different from fission of actinide nuclei and heavier mercury isotope 198Hg.

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.

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

Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations

NARCIS (Netherlands)

van Meer, R.; Gritsenko, O.V.; Baerends, E.J.

2014-01-01

In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of excitation energies have been performed. The tested functionals do not approximate exact Kohn-Sham orbitals and orbital energies closely. We

Lowest excited-state impurity binding energy in InGaN/GaN parabolic QWW: magnetic field effect

International Nuclear Information System (INIS)

Haddou El Ghazi; Anouar Jorio; Izeddine Zorkani

2013-01-01

In this paper, we have investigated the magnetic field effect on the lowest excited-state binding energy of hydrogenic shallow-donor impurity in wurtzite (In,Ga)N/GaN parabolic transversal-section quantum-well wire (PQWW) using the finite-difference method within the quasi-one-dimensional effective potential model. The calculations are performed within the framework of the effective mass approximation. A cylindrical QWW effective radius is taken into account to describe the lateral confinement strength. The numerical results show that: (i) the probability density is the largest on a circularity whose radius is the effective radius and (ii) the lowest excited-state binding energy is the largest when an impurity is located on this circularity while it starts to decrease as the impurity is away from the circularity. (author)

Prediction of interior noise due to random acoustic or turbulent boundary layer excitation using statistical energy analysis

Science.gov (United States)

Grosveld, Ferdinand W.

1990-01-01

The feasibility of predicting interior noise due to random acoustic or turbulent boundary layer excitation was investigated in experiments in which a statistical energy analysis model (VAPEPS) was used to analyze measurements of the acceleration response and sound transmission of flat aluminum, lucite, and graphite/epoxy plates exposed to random acoustic or turbulent boundary layer excitation. The noise reduction of the plate, when backed by a shallow cavity and excited by a turbulent boundary layer, was predicted using a simplified theory based on the assumption of adiabatic compression of the fluid in the cavity. The predicted plate acceleration response was used as input in the noise reduction prediction. Reasonable agreement was found between the predictions and the measured noise reduction in the frequency range 315-1000 Hz.

Optimal systematics of single-humped fission barriers for statistical calculations

International Nuclear Information System (INIS)

Mashnik, S.G.

1993-01-01

A systematic comparison of the existing phenomenological approaches and models for describing single-humped fast-computing fission barriers are given. The experimental data on excitation energy dependence of the fissility of compound nuclei are analyzed in the framework of the statistical approach by using different models for fission barriers, shell and pairing corrections and level-density parameter in order to identify their reliability and region of applicability for Monte Carlo calculations of evaporative cascades. The energy dependence of fission cross-sections for reactions induced by intermediate energy protons has been analyzed in the framework of the cascade-exiton model. 53 refs., 15 figs., 3 tabs

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

International Nuclear Information System (INIS)

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

2014-01-01

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

Electron-impact excitation of Zn II

International Nuclear Information System (INIS)

Msezane, A.Z.; Henry, R.J.W.

1982-01-01

Collision strengths are calculated for excitation of Zn II from the 4s ground state to excited states 4p, 3d 9 4s 2 , 5s, and 4d in a five-state close-coupling approximation for the electron-impact energy range 15 5 3d 10 4s 2 in a two-state close-coupling approximation for the same energy range. Accurate target functions are used in the expansion. Very good agreement with measurements of absolute emission cross sections of Rogers et al. is obtained for energy region 15< E<100 eV, when cascade contributions are included. Poorer agreement is obtained with experiment for excitation of the 5s state, owing to sensitivities in the close-coupling approximation

Continuum emission of excited sodium dimer

International Nuclear Information System (INIS)

Pardo, A.; Poyato, J.M.L.; Alonso, J.I.; Rico, F.R.

1980-01-01

A study has been made of the behaviour of excited molecular sodium using high-power Ar + laser radiation. A continuum emission was observed in the red wavelength region. This emission was thought to be caused by the formation of excited triatomic molecules. Energy transfer was observed from excited molecules to atoms. (orig.)

Method of producing excited states of atomic nuclei

International Nuclear Information System (INIS)

Morita, M.; Morita, R.

1976-01-01

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

Lifetime of the first excited 2{sup +} state in {sup 172}W and {sup 178}W

Energy Technology Data Exchange (ETDEWEB)

Rudigier, M., E-mail: rudigier@ikp.uni-koeln.d [Institut fuer Kernphysik, Universitaet zu Koeln, Zuelpicher Str. 77, 50937 Koeln (Germany); Regis, J.-M.; Jolie, J.; Zell, K.O.; Fransen, C. [Institut fuer Kernphysik, Universitaet zu Koeln, Zuelpicher Str. 77, 50937 Koeln (Germany)

2010-12-01

The lifetime of the first excited 2{sup +} state in {sup 172}W and {sup 178}W has been measured in fast timing experiments using the Cologne Double Orange Spectrometer for conversion electron spectroscopy. The B(E2,2{sub 1}{sup +{yields}}0{sub 1}{sup +}) values of the isotopes {sup 170-178}W are compared to calculations in the Interacting Boson Model (IBM) employing the consistent Q formalism. An analysis of the B(E2) value systematics in the rare earth nuclei around mass A=170 using the N{sub p}N{sub n}-scheme shows signatures of a structural change in the tungsten isotopes which is not reflected in the energy systematics.

Influence of Exchange-Correlation Functional in the Calculations of Vertical Excitation Energies of Halogenated Copper Phthalocyanines using Time-Dependent Density Functional Theory (TD-DFT)

International Nuclear Information System (INIS)

Lee, Sang Uck

2013-01-01

The accurate prediction of vertical excitation energies is very important for the development of new materials in the dye and pigment industry. A time-dependent density functional theory (TD-DFT) approach coupled with 22 different exchange-correlation functionals was used for the prediction of vertical excitation energies in the halogenated copper phthalocyanine molecules in order to find the most appropriate functional and to determine the accuracy of the prediction of the absorption wavelength and observed spectral shifts. Among the tested functional, B3LYP functional provides much more accurate vertical excitation energies and UV-vis spectra. Our results clearly provide a benchmark calibration of the TD-DFT method for phthalocyanine based dyes and pigments used in industry

Subsurface excitations in a metal

DEFF Research Database (Denmark)

Ray, M. P.; Lake, R. E.; Sosolik, C. E.

2009-01-01

We investigate internal hot carrier excitations in a Au thin film bombarded by hyperthermal and low energy alkali and noble gas ions. Excitations within the thin film of a metal-oxide-semiconductor device are measured revealing that ions whose velocities fall below the classical threshold given...... by the free-electron model of a metal still excite hot carriers. Excellent agreement between these results and a nonadiabatic model that accounts for the time-varying ion-surface interaction indicates that the measured excitations are due to semilocalized electrons near the metal surface....

Electron distribution function in electron-beam-excited plasmas

International Nuclear Information System (INIS)

Brau, C.A.

1976-01-01

In monatomic plasmas excited by high-intensity relativistic electron beams, the electron secondary distribution function is dominated by elastic electron-electron collisions at low electron energies and by inelastic electron-atom collisions at high electron energies (above the excitation threshold). Under these conditions, the total rate of excitation by inelastic collisions is limited by the rate at which electron-electron collisions relax the distribution function in the neighborhood of the excitation threshold. To describe this effect quantitatively, an approximate analytic solution of the electron Boltzmann equation is obtained, including both electron-electron and inelastic collisions. The result provides a simple formula for the total rate of excitation

Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals.

Science.gov (United States)

Velasco, A M; Lavín, C; Dolgounitcheva, O; Ortiz, J V

2014-08-21

Vertical excitation energies of the methyl and silyl radicals were inferred from ab initio electron propagator calculations on the electron affinities of CH3(+) and SiH3(+). Photoionization cross sections and angular distribution of photoelectrons for the outermost orbitals of both CH3 and SiH3 radicals have been obtained with the Molecular Quantum Defect Orbital method. The individual ionization cross sections corresponding to the Rydberg channels to which the excitation of the ground state's outermost electron gives rise are reported. Despite the relevance of methyl radical in atmospheric chemistry and combustion processes, only data for the photon energy range of 10-11 eV seem to be available. Good agreement has been found with experiment for photoionization cross section of this radical. To our knowledge, predictions of the above mentioned photoionization parameters on silyl radical are made here for the first time, and we are not aware of any reported experimental measurements. An analysis of our results reveals the presence of a Cooper minimum in the photoionization of the silyl radical. The adequacy of the two theoretical procedures employed in the present work is discussed.

Spectroscopy of Orbitally Excited $B_{s}$ Mesons with the CDF II Detector

Energy Technology Data Exchange (ETDEWEB)

Heck, Martin [Karlsruhe Inst. of Technology (KIT) (Germany)

2009-07-17

The aim of particle physics is to understand the properties of matter on the most fundamental level. The two main questions are: ’What are the constituents of matter?’ and ’How do those constituents interact with one another?’ One approach used throughout the experimental testing of theories of matter, that aim to answer these questions, is the study of the energy spectrum of excited states. Especially in cases of simple configurations as found in the hydrogenium atom, the potential energy related to an interaction can be studied. In chapter 2 I describe basics of the Standard Model related to the study of orbitally excited mesons made of a b- and an s-quark [B_s], theoretical predictions, and results of previous experiments. In chapter 3 one can find a description of the experiment used to collect the data. In chapter 4 the important tools used in my analysis are explained. The following chapter 5 describes the first core of the analysis, the reconstruction and selection, before in chapter 6 the fits to the data, and the considered systematic uncertainties are presented.

Time interval measurement between to emission: a systematics

International Nuclear Information System (INIS)

Bizard, G.; Bougault, R.; Brou, R.; Colin, J.; Durand, D.; Genoux-Lubain, A.; Horn, D.; Kerambrun, A.; Laville, J.L.; Le Brun, C.; Lecolley, J.F.; Lopez, O.; Louvel, M.; Mahi, M.; Meslin, C.; Steckmeyer, J.C.; Tamain, B.; Wieloch, A.

1998-01-01

A systematic study of the evolution of intervals of fragment emission times as a function of the energy deposited in the compound system was performed. Several measurements, Ne at 60 MeV/u, Ar at 30 and 60 MeV/u and two measurements for Kr at 60 MeV/u (central and semi-peripheral collisions) are presented. In all the experiments the target was Au and the mass of the compounds system was around A = 200. The excitation energies per nucleon reached in the case of these heavy systems cover the range of 3 to 5.5 MeV/u. The method used to determine the emission time intervals is based on the correlation functions associated to the relative angle distributions. The gaps between the data and simulations allow to evaluate the emission times. A rapid decrease of these time intervals was observed when the excitation energy increased. This variation starts at 500 fm/c which corresponds to a sequential emission. This relatively long time which indicates a weak interaction between fragments, corresponds practically to the measurement threshold. The shortest intervals (about 50 fm/c) are associated to a spontaneous multifragmentation and were observed in the case of central collisions at Ar+Au and Kr+Au at 60 MeV/u. Two interpretations are possible. The multifragmentation process might be viewed as a sequential process of very short time-separation or else, one can separate two zones heaving in mind that the multifragmentation is predominant from 4,5 MeV/u excitation energy upwards. This question is still open and its study is under way at LPC. An answer could come from the study of the rupture process of an excited nucleus, notably by the determination of its life-time

Systematic analysis of hot Yb{sup *} isotopes using the energy density formalism

Energy Technology Data Exchange (ETDEWEB)

Jain, Deepika; Sharma, Manoj K.; Rajni [Thapar University, School of Physics and Materials Science, Patiala (India); Kumar, Raj [University of Padova, Department of Physics and Astronomy, Padova (Italy); Gupta, Raj K. [Panjab University, Department of Physics, Chandigarh (India)

2014-10-15

A systematic study of the spin-orbit density interaction potential is carried out, with spherical as well as deformed choices of nuclei, for a variety of near-symmetric and asymmetric colliding nuclei leading to various isotopes of the compound nucleus Yb{sup *}, using the semiclassical extended Thomas-Fermi formulation (ETF) of the Skyrme energy density formalism (SEDF). We observe that the spin-orbit density interaction barrier height (V{sub JB}) and barrier position (R{sub JB}) increase systematically with the increase in number of neutrons in both the projectile and target, for spherical systems. On allowing deformation effects with optimum orientations, the barrier-height increases by a large order of magnitude, as compared to the spherical case, in going from {sup 156}Yb{sup *} to {sup 172}Yb{sup *} nuclear systems formed via near-symmetric Ni+Mo or asymmetric O+Sm colliding nuclei, except that for the oblate-shaped nuclei, the V{sub JB} is the highest and R{sub JB} shifts towards a smaller (compact) interaction radius. The temperature does not change the behavior of spin-orbit density dependent (V{sub J}) and independent (V{sub P}) interaction potentials, except for some minor changes in the magnitude. The orientation degree of freedom also plays an important role in modifying the barrier characteristics and hence produces a large effect on the fusion cross section. The fusion excitation function of the compound nuclei {sup 160,} {sup 164}Yb{sup *} formed in different incoming channels, show clearly that the new forces GSkI and KDE0v1 respond better than the old SIII force. Among the first two, KDE0v1 seems to perform better. The fusion cross-sections are also predicted for a few other isotopes of Yb{sup *}. (orig.)

Nuclear interactions of high energy heavy ions and applications in astrophysics

International Nuclear Information System (INIS)

Wefel, J.P.

1992-01-01

This program was established for the purpose of studying projectile fragmentation; (1) as a function of energy, focusing first on the intermediate energy region, < 1 GeV/nucleon, where there have been few previous measurements and no systematic studies, and (2) as a function of projectile mass, starting with light beams and proceeding to species as heavy as nickel (and possibly beyond). The intermediate energy region is important as the transition between the lower energy data, where the interaction appears to be dominated by collective effects and the decay of excited nuclei, and the highest energy results, where nucleon-nucleon interactions are fundamental, ''limiting fragmentation'' applies, and the nucleus may well break-up before any de-excitation. The mass dependence of projectile fragmentation is largely unknown since most detailed work has involved light ion beams. Nuclear structure effects, for example, may well be quite prominent for heavier beams. Furthermore, the nuclear excitation functions for the production of different fragment isotopes have immediate application to the astrophysical interpretation of existing isotopic datasets obtained from balloon and satellite measurements of galactic cosmic rays

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

International Nuclear Information System (INIS)

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

1988-01-01

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

Plunger lifetime measurements after Coulomb excitation at intermediate beam energies

Energy Technology Data Exchange (ETDEWEB)

Hackstein, Matthias; Dewald, Alfred; Fransen, Christoph; Ilie, Gabriela; Jolie, Jan; Melon, Barbara; Pissulla, Thomas; Rother, Wolfram; Zell, Karl-Oskar [University of Cologne (Germany); Petkov, Pavel [University of Cologne (Germany); INRNE (Bulgaria); Chester, Aaron; Adrich, Przemyslaw; Bazin, Daniel; Bowen, Matt; Gade, Alexandra; Glasmacher, Thomas; Miller, Dave; Moeller, Victoria; Starosta, Krzysztof; Stolz, Andreas; Vaman, Constantin; Voss, Philip; Weissharr, Dirk [Michigan State Univerity (United States); Moeller, Oliver [TU Darmstadt (Germany)

2008-07-01

Two recoil-distance-doppler-shift (RDDS) experiments were performed at the NSCL/MSU using Coulomb excitations of the projectile nuclei {sup 110}Pd, {sup 114}Pd at beam energies of 54 MeV/u in order to investigate the evolution of deformation of neutron rich paladium isotopes. The experimental set-up consisted of a dedicated plunger device, developed at the University of Cologne, the SEGA Ge-array and the S800 spectrometer. Lifetimes of the 2{sub 1}{sup +}-states in {sup 110}Pd and {sup 114}Pd were derived from the analysis of the {gamma}-line-shapes as well as from the measured decay-curves. Special features of the data analysis, e.g. features originating from the very high recoil velocities, are discussed.

Instrumental aspects of tube-excited energy-dispersive X-ray fluorescence analysis

International Nuclear Information System (INIS)

Adams, F.; Nullens, H.; Espen, P. van

1983-01-01

Energy-dispersive X-ray fluorescence spectrometry is an attractive and widely used method for sensitive multi-element analysis. The method suffers from the extreme density of spectral components in a rather limited energy range which implies the need for computer based spectrum analysis. The method of iterative least squares analysis is the most powerful tool for this. It requires a systematic and accurate description of the spectral features. Other important necessities for accurate analysis are the calibration of the spectrometer and the correction for matrix absorption effects in the sample; they can be calculated from available physical constants. Ours and similar procedures prove that semi-automatic analyses are possible with an accuracy of the order of 5%. (author)

Deviation from normal Boltzmann distribution of high-lying energy levels of iron atom excited by Okamoto-cavity microwave-induced plasmas using pure nitrogen and nitrogen–oxygen gases

International Nuclear Information System (INIS)

Wagatsuma, Kazuaki

2015-01-01

This paper describes several interesting excitation phenomena occurring in a microwave-induced plasma (MIP) excited with Okamoto-cavity, especially when a small amount of oxygen was mixed with nitrogen matrix in the composition of the plasma gas. An ion-to-atom ratio of iron, which was estimated from the intensity ratio of ion to atomic lines having almost the same excitation energy, was reduced by adding oxygen gas to the nitrogen MIP, eventually contributing to an enhancement in the emission intensities of the atomic lines. Furthermore, Boltzmann plots for iron atomic lines were observed in a wide range of the excitation energy from 3.4 to 6.9 eV, indicating that plots of the atomic lines having lower excitation energies (3.4 to 4.8 eV) were well fitted on a straight line while those having more than 5.5 eV deviated upwards from the linear relationship. This overpopulation would result from any other excitation process in addition to the thermal excitation that principally determines the Boltzmann distribution. A Penning-type collision with excited species of nitrogen molecules probably explains this additional excitation mechanism, in which the resulting iron ions recombine with captured electrons, followed by cascade de-excitations between closely-spaced excited levels just below the ionization limit. As a result, these high-lying levels might be more populated than the low-lying levels of iron atom. The ionization of iron would be caused less actively in the nitrogen–oxygen plasma than in a pure nitrogen plasma, because excited species of nitrogen molecule, which can provide the ionization energy in a collision with iron atom, are consumed through collisions with oxygen molecules to cause their dissociation. It was also observed that the overpopulation occurred to a lesser extent when oxygen gas was added to the nitrogen plasma. The reason for this was also attributed to decreased number density of the excited nitrogen species due to collisions with oxygen

Evolution of collectivity in the 78Ni region: Coulomb excitation of 74Ni at intermediate energies.

Directory of Open Access Journals (Sweden)

Marchi T.

2014-03-01

Full Text Available The study of the collective properties of nuclear excitations far from stability provides information about the shell structure at extreme conditions. Spectroscopic observables such as the energy or the transition probabilities of the lowest states, in nuclei with large neutron excess, allow to probe the density and isospin dependence of the effective interaction. Indeed, it was recently shown that tensor and three-body forces play an important role in breaking and creating magic numbers. Emblematic is the case of the evolution of the Ni isotopic chain where several features showed up moving from the most neutron rich stable isotope (64Ni towards the 78Ni nucleus where the large neutron excess coincides with a double shell closure. In this framework, we have recently performed an experiment with the goal to extract the B(E2; 0+ → 2+ value for the 74Ni nucleus in an intermediate-energy Coulomb excitation experiment: preliminary results are discussed.

A new analysis technique to measure fusion excitation functions with large beam energy dispersions

Science.gov (United States)

Figuera, P.; Di Pietro, A.; Fisichella, M.; Lattuada, M.; Shotter, A. C.; Ruiz, C.; Zadro, M.

2018-01-01

Peculiar nuclear structures of two colliding nuclei such has clustering, neutron halo/skin or very low breakup thresholds can affect the reaction dynamics below the Coulomb barrier and this may also have astrophysical consequences. In order to have a better understanding of this topic, in the last decade, several experiments were performed. A typical experimental challenge of such studies is the need to measure excitation functions below the Coulomb barrier, having a strong energy dependence, with rather large beam energy dispersions inside the target. This may easily lead to ambiguities in associating the measured cross section with a proper beam energy. In this paper a discussion on this topic is reported and a new technique to deal with the above problem will be proposed.

Electron-excited molecule interactions

International Nuclear Information System (INIS)

Christophorou, L.G.; Tennessee Univ., Knoxville, TN

1991-01-01

In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10 6 to 10 7 times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs

Doping dependence of low-energy quasiparticle excitations in superconducting Bi2212.

Science.gov (United States)

Ino, Akihiro; Anzai, Hiroaki; Arita, Masashi; Namatame, Hirofumi; Taniguchi, Masaki; Ishikado, Motoyuki; Fujita, Kazuhiro; Ishida, Shigeyuki; Uchida, Shinichi

2013-12-05

: The doping-dependent evolution of the d-wave superconducting state is studied from the perspective of the angle-resolved photoemission spectra of a high-Tc cuprate, Bi2Sr2CaCu2 O8+δ (Bi2212). The anisotropic evolution of the energy gap for Bogoliubov quasiparticles is parametrized by critical temperature and superfluid density. The renormalization of nodal quasiparticles is evaluated in terms of mass enhancement spectra. These quantities shed light on the strong coupling nature of electron pairing and the impact of forward elastic or inelastic scatterings. We suggest that the quasiparticle excitations in the superconducting cuprates are profoundly affected by doping-dependent screening.

Mean excitation energy of polystyrene extracted from proton-stopping-power measurements

International Nuclear Information System (INIS)

Porter, L.E.

1980-01-01

The measured stopping power of polystyrene for 2.2- to 5.9-MeV protons has been analyzed with the Bloch projectile-z 4 correction term and a modified low-velocity projectile-z 3 term included in the Bethe-Bloch formula. When the full-strength Walske K-shell correction was utilized, the mean excitation energy corresponding to the best fit of the measurements was (71.1 +- 1.8) eV. This result was obtained for a value of the free parameter of the low-velocity projectile-z 3 effect formalism of 1.90 +- 0.05, whether or not a Walske L-shell correction was included

Data on ionization, excitation, dissociation and dissociative ionization of targets by helium ion bombardments, (1)

International Nuclear Information System (INIS)

Oda, Nobuo; Urakawa, Junji

1984-03-01

This report presents a compilation of the experimental data on cross sections for the ionization, excitation, dissociation and dissociative ionization processes of targets in helium ion impacts on atoms and molecules under a single collision condition. These measurements were carried out in the energy range from several keV to 3.5 MeV. A systematic survey has been made on the literatures from 1975 to the end of 1982. A list of references is also given, including relevant papers published before 1975. (author)

Towards an unambiguous determination of the excitation energy of the projectile in heavy-ion reactions?

Energy Technology Data Exchange (ETDEWEB)

Buta, A.M.; Steckmeyer, J.C. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Auger, G. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France)] [and others

2002-03-01

The excitation energy of the quasi-projectiles produced in heavy-ion collisions is determined for the {sup 58}Ni+{sup 197}Au reactions at 52 and 90 AMeV. A new method is proposed for isolating unambiguously the particles evaporated by the source. It consists in observing them at small angles along the flight direction of the source. (authors)

Charge transfer in low-energy collisions of H with He+ and H+ with He in excited states

Science.gov (United States)

Loreau, J.; Ryabchenko, S.; Muñoz Burgos, J. M.; Vaeck, N.

2018-04-01

The charge transfer process in collisions of excited (n = 2, 3) hydrogen atoms with He+ and in collisions of excited helium atoms with H+ is studied theoretically. A combination of a fully quantum-mechanical method and a semi-classical approach is employed to calculate the charge-exchange cross sections at collision energies from 0.1 eV u‑1 up to 1 keV u‑1. These methods are based on accurate ab initio potential energy curves and non-adiabatic couplings for the molecular ion HeH+. Charge transfer can occur either in singlet or in triplet states, and the differences between the singlet and triplet spin manifolds are discussed. The dependence of the cross section on the quantum numbers n and l of the initial state is demonstrated. The isotope effect on the charge transfer cross sections, arising at low collision energy when H is substituted by D or T, is investigated. Rate coefficients are calculated for all isotopes up to 106 K. Finally, the impact of the present calculations on models of laboratory plasmas is discussed.

Dual structure in the charge excitation spectrum of electron-doped cuprates

Science.gov (United States)

Bejas, Matías; Yamase, Hiroyuki; Greco, Andrés

2017-12-01

Motivated by the recent resonant x-ray scattering (RXS) and resonant inelastic x-ray scattering (RIXS) experiments for electron-doped cuprates, we study the charge excitation spectrum in a layered t -J model with the long-range Coulomb interaction. We show that the spectrum is not dominated by a specific type of charge excitations, but by different kinds of charge fluctuations, and is characterized by a dual structure in the energy space. Low-energy charge excitations correspond to various types of bond-charge fluctuations driven by the exchange term (J term), whereas high-energy charge excitations are due to usual on-site charge fluctuations and correspond to plasmon excitations above the particle-hole continuum. The interlayer coupling, which is frequently neglected in many theoretical studies, is particularly important to the high-energy charge excitations.

Excited states rotational effects on the behavior of excited molecules

CERN Document Server

Lim, Edward C

2013-01-01

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

Search for Excited Leptons at LEP

CERN Document Server

Achard, P.; Aguilar-Benitez, M.; Alcaraz, J.; Alemanni, G.; Allaby, J.; Aloisio, A.; Alviggi, M.G.; Anderhub, H.; Andreev, Valery P.; Anselmo, F.; Arefev, A.; Azemoon, T.; Aziz, T.; Bagnaia, P.; Bajo, A.; Baksay, G.; Baksay, L.; Baldew, S.V.; Banerjee, S.; Banerjee, Sw.; Barczyk, A.; Barillere, R.; Bartalini, P.; Basile, M.; Batalova, N.; Battiston, R.; Bay, A.; Becattini, F.; Becker, U.; Behner, F.; Bellucci, L.; Berbeco, R.; Berdugo, J.; Berges, P.; Bertucci, B.; Betev, B.L.; Biasini, M.; Biglietti, M.; Biland, A.; Blaising, J.J.; Blyth, S.C.; Bobbink, G.J.; Bohm, A.; Boldizsar, L.; Borgia, B.; Bottai, S.; Bourilkov, D.; Bourquin, M.; Braccini, S.; Branson, J.G.; Brochu, F.; Burger, J.D.; Burger, W.J.; Cai, X.D.; Capell, M.; Cara Romeo, G.; Carlino, G.; Cartacci, A.; Casaus, J.; Cavallari, F.; Cavallo, N.; Cecchi, C.; Cerrada, M.; Chamizo, M.; Chang, Y.H.; Chemarin, M.; Chen, A.; Chen, G.; Chen, G.M.; Chen, H.F.; Chen, H.S.; Chiefari, G.; Cifarelli, L.; Cindolo, F.; Clare, I.; Clare, R.; Coignet, G.; Colino, N.; Costantini, S.; de la Cruz, B.; Cucciarelli, S.; van Dalen, J.A.; de Asmundis, R.; Deglon, P.; Debreczeni, J.; Degre, A.; Dehmelt, K.; Deiters, K.; della Volpe, D.; Delmeire, E.; Denes, P.; DeNotaristefani, F.; De Salvo, A.; Diemoz, M.; Dierckxsens, M.; Dionisi, C.; Dittmar, M.; Doria, A.; Dova, M.T.; Duchesneau, D.; Duda, M.; Echenard, B.; Eline, A.; El Hage, A.; El Mamouni, H.; Engler, A.; Eppling, F.J.; Extermann, P.; Falagan, M.A.; Falciano, S.; Favara, A.; Fay, J.; Fedin, O.; Felcini, M.; Ferguson, T.; Fesefeldt, H.; Fiandrini, E.; Field, J.H.; Filthaut, F.; Fisher, P.H.; Fisher, W.; Fisk, I.; Forconi, G.; Freudenreich, K.; Furetta, C.; Galaktionov, Iouri; Ganguli, S.N.; Garcia-Abia, Pablo; Gataullin, M.; Gentile, S.; Giagu, S.; Gong, Z.F.; Grenier, Gerald Jean; Grimm, O.; Gruenewald, M.W.; Guida, M.; van Gulik, R.; Gupta, V.K.; Gurtu, A.; Gutay, L.J.; Haas, D.; Hakobyan, R.S.; Hansen, J.M.; Hatzifotiadou, D.; Hebbeker, T.; Herve, Alain; Hirschfelder, J.; Hofer, H.; Hohlmann, M.; Holzner, G.; Hou, S.R.; Hu, Y.; Jin, B.N.; Jones, Lawrence W.; de Jong, P.; Josa-Mutuberria, I.; Kafer, D.; Kaur, M.; Kienzle-Focacci, M.N.; Kim, J.K.; Kirkby, Jasper; Kittel, W.; Klimentov, A.; Konig, A.C.; Kopal, M.; Koutsenko, V.; Kraber, M.; Kraemer, R.W.; Kruger, A.; Kunin, A.; Ladron de Guevara, P.; Laktineh, I.; Landi, G.; Lebeau, M.; Lebedev, A.; Lebrun, P.; Lecomte, P.; Lecoq, P.; Le Coultre, P.; Le Goff, J.M.; Leiste, R.; Levtchenko, M.; Levtchenko, P.; Li, C.; Likhoded, S.; Lin, C.H.; Lin, W.T.; Linde, F.L.; Lista, L.; Liu, Z.A.; Lohmann, W.; Longo, E.; Lu, Y.S.; Luci, C.; Luminari, L.; Lustermann, W.; Ma, W.G.; Malgeri, L.; Malinin, A.; Mana, C.; Mans, J.; Martin, J.P.; Marzano, F.; Mazumdar, K.; McNeil, R.R.; Mele, S.; Merola, L.; Meschini, M.; Metzger, W.J.; Mihul, A.; Milcent, H.; Mirabelli, G.; Mnich, J.; Mohanty, G.B.; Muanza, G.S.; Muijs, A.J.M.; Musicar, B.; Musy, M.; Nagy, S.; Natale, S.; Napolitano, M.; Nessi-Tedaldi, F.; Newman, H.; Nisati, A.; Kluge, Hannelies; Ofierzynski, R.; Organtini, G.; Pal, I.; Palomares, C.; Paolucci, P.; Paramatti, R.; Passaleva, G.; Patricelli, S.; Paul, Thomas Cantzon; Pauluzzi, M.; Paus, C.; Pauss, F.; Pedace, M.; Pensotti, S.; Perret-Gallix, D.; Petersen, B.; Piccolo, D.; Pierella, F.; Pioppi, M.; Piroue, P.A.; Pistolesi, E.; Plyaskin, V.; Pohl, M.; Pojidaev, V.; Pothier, J.; Prokofev, D.; Quartieri, J.; Rahal-Callot, G.; Rahaman, Mohammad Azizur; Raics, P.; Raja, N.; Ramelli, R.; Rancoita, P.G.; Ranieri, R.; Raspereza, A.; Razis, P.; Ren, D.; Rescigno, M.; Reucroft, S.; Riemann, S.; Riles, Keith; Roe, B.P.; Romero, L.; Rosca, A.; Rosier-Lees, S.; Roth, Stefan; Rosenbleck, C.; Rubio, J.A.; Ruggiero, G.; Rykaczewski, H.; Sakharov, A.; Saremi, S.; Sarkar, S.; Salicio, J.; Sanchez, E.; Schafer, C.; Schegelsky, V.; Schopper, H.; Schotanus, D.J.; Sciacca, C.; Servoli, L.; Shevchenko, S.; Shivarov, N.; Shoutko, V.; Shumilov, E.; Shvorob, A.; Son, D.; Souga, C.; Spillantini, P.; Steuer, M.; Stickland, D.P.; Stoyanov, B.; Straessner, A.; Sudhakar, K.; Sultanov, G.; Sun, L.Z.; Sushkov, S.; Suter, H.; Swain, J.D.; Szillasi, Z.; Tang, X.W.; Tarjan, P.; Tauscher, L.; Taylor, L.; Tellili, B.; Teyssier, D.; Timmermans, Charles; Ting, Samuel C.C.; Ting, S.M.; Tonwar, S.C.; Toth, J.; Tully, C.; Tung, K.L.; Ulbricht, J.; Valente, E.; Van de Walle, R.T.; Vasquez, R.; Veszpremi, V.; Vesztergombi, G.; Vetlitsky, I.; Vicinanza, D.; Viertel, G.; Villa, S.; Vivargent, M.; Vlachos, S.; Vodopianov, I.; Vogel, H.; Vogt, H.; Vorobev, I.; Vorobyov, A.A.; Wadhwa, M.; Wang, Q.; Wang, X.L.; Wang, Z.M.; Weber, M.; Wienemann, P.; Wilkens, H.; Wynhoff, S.; Xia, L.; Xu, Z.Z.; Yamamoto, J.; Yang, B.Z.; Yang, C.G.; Yang, H.J.; Yang, M.; Yeh, S.C.; Zalite, A.; Zalite, Yu.; Zhang, Z.P.; Zhao, J.; Zhu, G.Y.; Zhu, R.Y.; Zhuang, H.L.; Zichichi, A.; Zimmermann, B.; Zoller, M.

2003-01-01

A search for charged and neutral excited leptons is performed in 217 pb-1 of data collected with the L3 detector at LEP at centre-of-mass energies up to 209 GeV. The pair- and single-production mechanisms are investigated and no signals are detected. Combining with L3 results from searches at lower centre-of-mass energies, gives improved limits on the masses and couplings of excited leptons.

Strong electric and magnetic dipole excitations in deformed nuclei

International Nuclear Information System (INIS)

Kneissl, U.

1993-01-01

Systematic nuclear resonance fluorescence (NRF) experiments have been performed at the bremsstrahlung facility of the Stutgart dynamitron to investigate the distribution of magnetic and electric dipole excitations in deformed nuclei

Photo-excitation of carotenoids causes cytotoxicity via singlet oxygen production

International Nuclear Information System (INIS)

Yoshii, Hiroshi; Yoshii, Yukie; Asai, Tatsuya; Furukawa, Takako; Takaichi, Shinichi; Fujibayashi, Yasuhisa

2012-01-01

Highlights: ► Some photo-excited carotenoids have photosensitizing ability. ► They are able to produce ROS. ► Photo-excited fucoxanthin can produce singlet oxygen through energy transfer. -- Abstract: Carotenoids, natural pigments widely distributed in algae and plants, have a conjugated double bond system. Their excitation energies are correlated with conjugation length. We hypothesized that carotenoids whose energy states are above the singlet excited state of oxygen (singlet oxygen) would possess photosensitizing properties. Here, we demonstrated that human skin melanoma (A375) cells are damaged through the photo-excitation of several carotenoids (neoxanthin, fucoxanthin and siphonaxanthin). In contrast, photo-excitation of carotenoids that possess energy states below that of singlet oxygen, such as β-carotene, lutein, loroxanthin and violaxanthin, did not enhance cell death. Production of reactive oxygen species (ROS) by photo-excited fucoxanthin or neoxanthin was confirmed using a reporter assay for ROS production with HeLa Hyper cells, which express a fluorescent indicator protein for intracellular ROS. Fucoxanthin and neoxanthin also showed high cellular penetration and retention. Electron spin resonance spectra using 2,2,6,6-tetramethil-4-piperidone as a singlet oxygen trapping agent demonstrated that singlet oxygen was produced via energy transfer from photo-excited fucoxanthin to oxygen molecules. These results suggest that carotenoids such as fucoxanthin, which are capable of singlet oxygen production through photo-excitation and show good penetration and retention in target cells, are useful as photosensitizers in photodynamic therapy for skin disease.

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

Energy Technology Data Exchange (ETDEWEB)

Klump, K N; Lassettre, E N

1975-01-01

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

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

International Nuclear Information System (INIS)

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

1997-01-01

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

Excitation of lowest electronic states of thymine by slow electrons

Science.gov (United States)

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

2013-11-01

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

Isotope separation using vibrationally excited molecules

International Nuclear Information System (INIS)

Woodroffe, J.A.; Keck, J.C.

1979-01-01

Vibrational excitation of molecules having components of a selected isotope type is used to produce a conversion from vibrational to translational excitation of the molecules by collision with the molecules of a heavy carrier gas. The resulting difference in translaton between the molecules of the selected isotope type and all other molecules of the same compound permits their separate collection. When applied to uranium enrichment, a subsonic cryogenic flow of molecules of uranium hexafluoride in combination with an argon carrier gas is directed through a cooled chamber that is illuminated by laser radiaton tuned to vibrationally excite the uranium hexafluoride molecules of a specific uranium isotope. The excited molecules collide with carrier gas molecules, causing a conversion of the excitation energy into a translation of the excited molecule, which results in a higher thermal energy or diffusivity than that of the other uranium hexafluoride molecules. The flowing molecules including the excited molecules directly enter a set of cryogenically cooled channels. The higher thermal velocity of the excited molecules increases the probability of their striking a collector surface. The molecules which strike this surface immediately condense. After a predetermined thickness of molecules is collected on the surface, the flow of uranium hexafluoride is interrupted and the chamber heated to the point of vaporization of the collected hexafluoride, permitting its removal. (LL)

Intensities of two-quanta cascades at different excitation energies of compound nuclei 146Nd, 174Yb, 183W

International Nuclear Information System (INIS)

Boneva, S.T.; Khitrov, V.A.; Sukhovoj, A.M.; Vojnov, A.V.

1990-01-01

Intensities of two-quanta cascades are obtained for 2-3 final low-lying levels of the following nuclei 146 Nd, 174 Yb and 183 W. These measured intensities are compared with the intensities calculated in the frame of various models at primary transition energies ranging from 0.5 MeV to the neutron binding energy. Some excitation energy intervals are revealed, experimentally obtained intensities of cascade are inconsistent with model calculations. 15 refs.; 7 figs

Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations

OpenAIRE

Ren, Xinguo; Rinke, Patrick; Tkatchenko, Alexandre; Scheffler, Matthias

2010-01-01

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice-evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals-leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior ca...

Dissipation of the electronic excitation energy in fluorides with different type of a crystal lattice

International Nuclear Information System (INIS)

Lisitsyn, V.M.; Grechkina, T. V.; Korepanov, V.I.; Lisitsyna, L.A.

2004-01-01

Full text: In this paper we present results of comparison of efficiency creations of primary defects in crystals of fluorides of two different lattice structures: stone salt - LiF and rutile MgF 2 . We have used the methods with nanosecond time-resolved of pulse spectroscopy and found laws of creation and evolution self-trapped exciton (STE) and the F centers in a temperature range from 12.5 to 500 K and a time interval from 10 -8 to 10 -1 s after the ending of influence of a pulse electron. The density of excitation of crystals in a pulse is no more than 0.1 J·cm -3 , average energy electrons made 200 keV, duration electron pulse - 7 ns. It is established, that in crystal LiF under action of radiation are created STE two types which have various spectral-kinetic parameters absorption and emission transitions, various values of activation energy of processes of a post-industrial relaxation and different character of temperature dependences of creation efficiency under action electron pulse. In the field of low temperatures (12.5 K) created on center STE has absorption bands on 5.5 and 5.1 eV and emission band on 5.8 eV. Off-center STE has absorption on 5.3 and 4.75 eV and emission on 4.4 eV bands and are created in the interval 12.5-170 K with peak efficiency h area 60 K. In crystal MgF 2 at low temperatures (20 K) under action of radiation one STE with a nucleus occupying off-center configuration, having luminescence band on 3.2 eV and a series absorption transitions in area 4-5.5 eV is created. Concurrently with STE in both crystals under action of a pulse electron the F-centers with efficiency, not dependent on temperature of a crystal in area 20-100 K are created. There are two alternative processes under action of an irradiation with growth of temperature higher 100 K: reducing of STE creation and increasing of F centers creation. In both crystals quenching temperature of luminescence STE at T>60 K which is not accompanied by growth of efficiency of creation

Low energy spin excitations in chromium metal

International Nuclear Information System (INIS)

Pynn, R.; Azuah, R.T.; Stirling, W.G.

1997-01-01

Neutron scattering experiments with full polarization analysis have been performed with a single crystal of chromium to study the low-energy spin fluctuations in the transverse spin density wave (TSDW) state. A number of remarkable results have been found. Inelastic scattering observed close to the TSDW satellite positions at (1 ± δ,0,0) does not behave as expected for magnon scattering. In particular, the scattering corresponds to almost equally strong magnetization fluctuations both parallel and perpendicular to the ordered moments of the TSDW phase. As the Neel temperature is approached from below, scattering at the commensurate wavevector (1,0,0) increases in intensity as a result of critical scattering at silent satellites (1,0, ± δ) being included within the spectrometer resolution function. This effect, first observed by Sternlieb et al, does not account for all of the inelastic scattering around the (1,0,0) position, however, Rather, there are further collective excitations, apparently emanating from the TSDW satellites, which correspond to magnetic fluctuations parallel to the ordered TSDW moments. These branches have a group velocity that is close to that of (1,0,0) longitudinal acoustic (LA) phonons, but assigning their origin to magneto-elastic scattering raises other unanswered questions

Dipole polarizability of neutron rich nuclei and the symmetry energy

Energy Technology Data Exchange (ETDEWEB)

Horvat, Andrea; Johansen, Jacob; Miki, Kenjiro; Schindler, Fabia; Schrock, Philipp [IKP, TU Darmstadt (Germany); Aumann, Thomas [IKP, TU Darmstadt (Germany); GSI, Darmstadt (Germany); Boretzky, Konstanze [GSI, Darmstadt (Germany); Collaboration: R3B-Collaboration

2015-07-01

As a part of a systematic investigation of the dipole response of stable up to very neutron rich tin isotopes, nuclear and electromagnetic excitation of {sup 124}Sn-{sup 134}Sn has been investigated at relativistic energies in inverse kinematics induced by carbon and lead targets at the LAND-R3B setup at GSI in Darmstadt. The electric dipole response and the nuclear reaction cross section, total and charge-changing, are obtained from the kinematically complete determination of momenta of all particles on an event by event basis. The dipole polarizability is extracted from the Coulomb excitation interaction channel, in order to make use of relevant correlations of this observable with nuclear matter properties such as the symmetry energy at saturation density (J) and it's slope (L). The systematics of the low-lying ''pygmy'' dipole strength, the giant dipole resonance (GDR) and the neutron skin thickness are determined with respect to increasing isospin asymmetry. This talk also discusses the correlations and sensitivities of these variables and observables obtained within the framework of nuclear energy density functional theory.

An analytical approach for predicting the energy capture and conversion by impulsively-excited bistable vibration energy harvesters

Science.gov (United States)

Harne, R. L.; Zhang, Chunlin; Li, Bing; Wang, K. W.

2016-07-01

Impulsive energies are abundant throughout the natural and built environments, for instance as stimulated by wind gusts, foot-steps, or vehicle-road interactions. In the interest of maximizing the sustainability of society's technological developments, one idea is to capture these high-amplitude and abrupt energies and convert them into usable electrical power such as for sensors which otherwise rely on less sustainable power supplies. In this spirit, the considerable sensitivity to impulse-type events previously uncovered for bistable oscillators has motivated recent experimental and numerical studies on the power generation performance of bistable vibration energy harvesters. To lead to an effective and efficient predictive tool and design guide, this research develops a new analytical approach to estimate the electroelastic response and power generation of a bistable energy harvester when excited by an impulse. Comparison with values determined by direct simulation of the governing equations shows that the analytically predicted net converted energies are very accurate for a wide range of impulse strengths. Extensive experimental investigations are undertaken to validate the analytical approach and it is seen that the predicted estimates of the impulsive energy conversion are in excellent agreement with the measurements, and the detailed structural dynamics are correctly reproduced. As a result, the analytical approach represents a significant leap forward in the understanding of how to effectively leverage bistable structures as energy harvesting devices and introduces new means to elucidate the transient and far-from-equilibrium dynamics of nonlinear systems more generally.

Elastic, excitation, ionization and charge transfer cross sections of current interest in fusion energy research

Energy Technology Data Exchange (ETDEWEB)

Schultz, D.R.; Krstic, P.S. [Oak Ridge National Lab. TN (United States). Physics Div.

1997-01-01

Due to the present interest in modeling and diagnosing the edge and divertor plasma regions in magnetically confined fusion devices, we have sought to provide new calculations regarding the elastic, excitation, ionization, and charge transfer cross sections in collisions among relevant ions, neutrals, and isotopes in the low-to intermediate-energy regime. We summarize here some of our recent work. (author)

Fission of 255,256Es, 255-257Fm, and 258Md at moderate excitation energies

NARCIS (Netherlands)

Britt, H.C.; Hoffman, D.C.; Plicht, J. van der; Wilhelmy, J.; Cheifetz, E.; Dupzyk, R.J.; Lougheed, R.W.

1984-01-01

The fission of 255,256Es, 255-257Fm, and 258Md has been studied in the excitation energy range from threshold to 25 MeV. A target of 254Es was used in the direct reaction studies; (d,pf), (t,pf), (3He,df), (3He,pf), and in the compound induced fission reactions formed with p, d, t, and α particle

Study of ionizing collisions involving excited states in a potassium-rubidium mixture at thermal energy

International Nuclear Information System (INIS)

Djerad, M.T.

1987-01-01

This study concerns mainly ionising collisions involving excited states in a saturated mixture of K-Rb vapours, at thermal energy. The experimental method consists into continuous resonant two steps laser excitation of the atoms (n ≤ 10) and mass spectrometry of ion currents. Radiative and collisional relaxation of the atoms create a complex medium. The most efficient collisional processes are Penning ionisation and Hornbeck-Molnar ionisation. In the heteronuclear system Rb(n1) + K(4P), the following exit channels may be operative: Rb(n1) + K(4P) → Rb + + e - + K Rb(n1) + K(4p) → K + + e - + Rb Rb(n1) + K(4P) → KRb + + e - . The measurements show that the first channel has an average cross section ∼ 10 -13 cm 2 . Those of the other channels are at least three orders of magnitude smaller and thus comparatively negligible. The data obtained from 5D to 10S allow to conclude that the flux in the entrance channel ionises at large separation between Rb(n1) and K(4P). The process of ionisation is dominated by polarisation forces, exchange forces being negligible. In the present mixture, Hornbeck-Molnar ionisation leads to homonuclear molecular ions K 2 + , Rb 2 + as well as the heteronuclear one KRb + . We have measured the rate coefficients for the systems: K(n1) + Rb → KRb + + e - Rb(n1) + K → KRb + + e - . The rate coefficients increase with the excitation energy of the level n1; they do not exhibit fundamental differences with those measured in pure alkali vapours [fr

Coherent electromagnetic excitation and disintegration of relativistic nuclei passing through crystals

International Nuclear Information System (INIS)

Pivovarov, Yu.L.; Shirokov, A.A.; Vorobiev, S.A.

1990-01-01

The energy dependence of electromagnetic excitation and electromagnetic disintegration cross sections for relativistic nuclei passing through crystals is investigated both theoretically and by means of computer simulation. For electromagnetic excitation, resonant peaks are found at definite energy values. An increase of electromagnetic excitation and disintegration cross sections in crystals at very high energies is found to be due to coherent addition of amplitudes. Numerical results are presented for the electric dipole excitation of fluorine nuclei and electromagnetic deuteron disintegration. (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 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

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

Science.gov (United States)

Kowalczyk, Tim; Le, Khoa; Irle, Stephan

2016-01-12

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

Disentangling dark energy and cosmic tests of gravity from weak lensing systematics

Science.gov (United States)

Laszlo, Istvan; Bean, Rachel; Kirk, Donnacha; Bridle, Sarah

2012-06-01

We consider the impact of key astrophysical and measurement systematics on constraints on dark energy and modifications to gravity on cosmic scales. We focus on upcoming photometric ‘stage III’ and ‘stage IV’ large-scale structure surveys such as the Dark Energy Survey (DES), the Subaru Measurement of Images and Redshifts survey, the Euclid survey, the Large Synoptic Survey Telescope (LSST) and Wide Field Infra-Red Space Telescope (WFIRST). We illustrate the different redshift dependencies of gravity modifications compared to intrinsic alignments, the main astrophysical systematic. The way in which systematic uncertainties, such as galaxy bias and intrinsic alignments, are modelled can change dark energy equation-of-state parameter and modified gravity figures of merit by a factor of 4. The inclusion of cross-correlations of cosmic shear and galaxy position measurements helps reduce the loss of constraining power from the lensing shear surveys. When forecasts for Planck cosmic microwave background and stage IV surveys are combined, constraints on the dark energy equation-of-state parameter and modified gravity model are recovered, relative to those from shear data with no systematic uncertainties, provided fewer than 36 free parameters in total are used to describe the galaxy bias and intrinsic alignment models as a function of scale and redshift. While some uncertainty in the intrinsic alignment (IA) model can be tolerated, it is going to be important to be able to parametrize IAs well in order to realize the full potential of upcoming surveys. To facilitate future investigations, we also provide a fitting function for the matter power spectrum arising from the phenomenological modified gravity model we consider.

Multiply excited molecules produced by photon and electron interactions

International Nuclear Information System (INIS)

Odagiri, T.; Kouchi, N.

2006-01-01

The photon and electron interactions with molecules resulting in the formation of multiply excited molecules and the subsequent decay are subjects of great interest because the independent electron model and Born-Oppenheimer approximation are much less reliable for the multiply excited states of molecules than for the ground and lower excited electronic states. We have three methods to observe and investigate multiply excited molecules: 1) Measurements of the cross sections for the emission of fluorescence emitted by neutral fragments in the photoexcitation of molecules as a function of incident photon energy [1-3], 2) Measurements of the electron energy-loss spectra tagged with the fluorescence photons emitted by neutral fragments [4], 3) Measurements of the cross sections for generating a pair of photons in absorption of a single photon by a molecule as a function of incident photon energy [5-7]. Multiply excited states degenerate with ionization continua, which make a large contribution in the cross section curve involving ionization processes. The key point of our methods is hence that we measure cross sections free from ionization. The feature of multiply excited states is noticeable in such a cross section curve. Recently we have measured: i) the cross sections for the emission of the Lyman- fluorescence in the photoexcitation of CH 4 as a function of incident photon energy in the range 18-51 eV, ii) the electron energy-loss spectrum of CH 4 tagged with the Lyman-photons at 80 eV incident electron energy and 10 electron scattering angle in the range of the energy loss 20-45 eV, in order to understand the formation and decay of the doubly excited methane in photon and electron interactions. [8] The results are summarized in this paper and the simultaneous excitation of two electrons by electron interaction is compared with that by photon interaction in terms of the oscillator strength. (authors)

Direct determination of resonance energy transfer in photolyase: structural alignment for the functional state.

Science.gov (United States)

Tan, Chuang; Guo, Lijun; Ai, Yuejie; Li, Jiang; Wang, Lijuan; Sancar, Aziz; Luo, Yi; Zhong, Dongping

2014-11-13

Photoantenna is essential to energy transduction in photoinduced biological machinery. A photoenzyme, photolyase, has a light-harvesting pigment of methenyltetrahydrofolate (MTHF) that transfers its excitation energy to the catalytic flavin cofactor FADH¯ to enhance DNA-repair efficiency. Here we report our systematic characterization and direct determination of the ultrafast dynamics of resonance energy transfer from excited MTHF to three flavin redox states in E. coli photolyase by capturing the intermediates formed through the energy transfer and thus excluding the electron-transfer quenching pathway. We observed 170 ps for excitation energy transferring to the fully reduced hydroquinone FADH¯, 20 ps to the fully oxidized FAD, and 18 ps to the neutral semiquinone FADH(•), and the corresponding orientation factors (κ(2)) were determined to be 2.84, 1.53 and 1.26, respectively, perfectly matching with our calculated theoretical values. Thus, under physiological conditions and over the course of evolution, photolyase has adopted the optimized orientation of its photopigment to efficiently convert solar energy for repair of damaged DNA.

Nuclear energy density functional from chiral pion-nucleon dynamics revisited

OpenAIRE

Kaiser, N.; Weise, W.

2009-01-01

We use a recently improved density-matrix expansion to calculate the nuclear energy density functional in the framework of in-medium chiral perturbation theory. Our calculation treats systematically the effects from $1\\pi$-exchange, iterated $1\\pi$-exchange, and irreducible $2\\pi$-exchange with intermediate $\\Delta$-isobar excitations, including Pauli-blocking corrections up to three-loop order. We find that the effective nucleon mass $M^*(\\rho)$ entering the energy density functional is iden...

Vibrational energy transfer in selectively excited diatomic molecules

International Nuclear Information System (INIS)

Dasch, C.J.

1978-09-01

Single rovibrational states of HCl(v=2), HBr(v=2), DCl(v=2), and CO(v=2) were excited with a pulsed optical parametric oscillator (OPO). Total vibrational relaxation rates near - resonance quenchers were measured at 295 0 K using time resolved infrared fluorescence. These rates are attributed primarily to V - V energy transfer, and they generally conform to a simple energy gap law. A small deviation was found for the CO(v) + DCl(v') relaxation rates. Upper limits for the self relaxation by V - R,T of HCl(v=2) and HBr(v=2) and for the two quantum exchange between HCl and HBr were determined. The HF dimer was detected at 295 0 K and 30 torr HF pressure with an optoacoustic spectrometer using the OPO. Pulsed and chopped, resonant and non-resonant spectrophones are analyzed in detail. From experiments and first order perturbation theory, these V - V exchange rates appear to behave as a first order perturbation in the vibrational coordinates. The rotational dynamics are known to be complicated however, and the coupled rotational - vibrational dynamics were investigated theoreticaly in infinite order by the Dillon and Stephenson and the first Magnus approximations. Large ΔJ transitions appear to be important, but these calculations differ by orders of magnitude on specific rovibrational transition rates. Integration of the time dependent semiclassical equations by a modified Gordon method and a rotationally distorted wave approximation are discussed as methods which would treat the rotational motion more accurately. 225 references

NO-γ emissions from streamer discharges: direct electron impact excitation versus resonant energy transfer

International Nuclear Information System (INIS)

Liu Ningyu; Pasko, Victor P

2010-01-01

It has been established that production of NO-γ emission in pulsed corona discharges is dominated by the energy transfer from N 2 (A 3 Σ u + ) to the NO ground state NO(X 2 Π r ) while direct excitation by electron impact is negligible. However, recent studies suggest that the electron impact excitation plays a more important role. In this work, we report modelling results of NO-γ emission associated with streamer discharges using two cross section data sets available in the literature. The first set was originally reported by Mojarrabi et al (1996 Phys. Rev. A 54 2977-82) and later updated by Brunger et al (2000 J. Phys. B: At. Mol. Opt. Phys. 33 809-19); the second set was published by Hayashi (1990 Nonequilibrium Processes in Partially Ionized Gases (NATO Advanced Science Institutes Series, Series B, Physics vol 220) ed M Capitelli and J N Bardsley (New York: Plenum) pp 333-40). According to the results, the role played by the electron impact excitation in the production of NO-γ is drastically different when different cross sections are used. The results indicate that the first data set leads to better agreement with experimental measurements. (fast track communication)

Environment-assisted Quantum Critical Effect for Excitation Energy Transfer in a LH2-type Trimer

Science.gov (United States)

Xu, Lan; Xu, Bo

2015-10-01

In this article, we are investigating excitation energy transfer (EET) in a basic unit cell of light-harvesting complex II (LH2), named a LH2-type trimer. Calculation of energy transfer efficiency (ETE) in the framework of non-Markovian environment is also implemented. With these achievements, we theoretically predict the environment-assisted quantum critical effect, where ETE exhibits a sudden change at the critical point of quantum phase transition (QPT) for the LH2-type trimer. It is found that highly efficient EET with nearly unit efficiency may occur in the vicinity of the critical point of QPT.

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-03-01

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

The fluorescence action spectra of some saturated hydrocarbon liquids for excitation energies above and below their ionization thresholds

International Nuclear Information System (INIS)

Ostafin, A.E.; Lipsky, S.

1993-01-01

Fluorescence action spectra have been obtained for the neat liquids, cis-decalin, trans-decalin, bicyclohexyl, cyclohexane, methylcyclohexane, isobutylcyclohexane, 2,3,4-trimethylpentane, 2,3-dimethylbutane, 3-methylhexane, 3-methylpentane, n-decane, n-dodecane, and n-pentadecane at excitation energies, ε, ranging from their absorption onsets (at ca. 7 eV) to 10.3 eV. For all compounds, with the exception of cis-decalin, the fluorescence quantum yield is observed to monotonically decline with increasing ε, reaching a minimum value at an energy, ε m (a few tenths of an eV above the liquid phase ionization threshold, ε l ) followed by a slow increase. In the case of cis-decalin, the fluorescence quantum yield remains constant over the entire range of excitation energies studied, permitting its use as a quantum counter replacing the standard sodium salicylate, at least over a spectral range from 185 to 120 nm. The recovery of the fluorescence quantum yield for ε>ε m is attributed to an increasing probability for electron ejection followed by e - +RH + geminate recombination, to produce an excited state of RH with energy less than ε l . From a simple analysis of the action spectrum, a lower bound estimate of the electron ejection probability, φ ± , is obtained as a function of ε. In the case of cyclohexane, where φ ± has been obtained by other techniques at ε congruent 10 eV, the lower bound estimate agrees with the experimental value. From this agreement, arguments are presented to make plausible the conjecture that in all these liquids, the initially produced e - +RH + geminate ion pair first rapidly internally converts to an ion-pair state ca

Quinary excitation method for pulse compression ultrasound measurements.

Science.gov (United States)

Cowell, D M J; Freear, S

2008-04-01

A novel switched excitation method for linear frequency modulated excitation of ultrasonic transducers in pulse compression systems is presented that is simple to realise, yet provides reduced signal sidelobes at the output of the matched filter compared to bipolar pseudo-chirp excitation. Pulse compression signal sidelobes are reduced through the use of simple amplitude tapering at the beginning and end of the excitation duration. Amplitude tapering using switched excitation is realised through the use of intermediate voltage switching levels, half that of the main excitation voltages. In total five excitation voltages are used creating a quinary excitation system. The absence of analogue signal generation and power amplifiers renders the excitation method attractive for applications with requirements such as a high channel count or low cost per channel. A systematic study of switched linear frequency modulated excitation methods with simulated and laboratory based experimental verification is presented for 2.25 MHz non-destructive testing immersion transducers. The signal to sidelobe noise level of compressed waveforms generated using quinary and bipolar pseudo-chirp excitation are investigated for transmission through a 0.5m water and kaolin slurry channel. Quinary linear frequency modulated excitation consistently reduces signal sidelobe power compared to bipolar excitation methods. Experimental results for transmission between two 2.25 MHz transducers separated by a 0.5m channel of water and 5% kaolin suspension shows improvements in signal to sidelobe noise power in the order of 7-8 dB. The reported quinary switched method for linear frequency modulated excitation provides improved performance compared to pseudo-chirp excitation without the need for high performance excitation amplifiers.

Design and Analysis of a Linear Hybrid Excitation Flux-Switching Generator for Direct Drive Wave Energy Converters

Directory of Open Access Journals (Sweden)

Lei Huang

2013-01-01

Full Text Available Linear generators have the advantage of a simple structure of the secondary, which is suitable for the application of wave energy conversion. Based on the vernier hybrid machines (VHMs, widely used for direct drive wave energy converters, this paper proposes a novel hybrid excitation flux-switching generator (LHEFSG, which can effectively improve the performance of this kind of generators. DC hybrid excitation windings and multitooth structure were used in the proposed generator to increase the magnetic energy and overcome the disadvantages of easily irreversible demagnetization of VHMs. Firstly, the operation principle and structure of the proposed generator are introduced. Secondly, by using the finite element method, the no-load performance of the proposed generator is analyzed and composed with ones of conventional VHM. In addition, the on-load performance of the proposed generator is obtained by finite element analysis (FEA. A dislocation of pole alignments method is implemented to reduce the cogging force. Lastly, a prototype of the linear flux-switching generator is used to verify the correctness of FEA results. All the results validate that the proposed generator has better performance than its counterparts.

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

International Nuclear Information System (INIS)

Wundt, Benedikt J.; Jentschura, Ulrich D.

2008-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-01-24

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

Systematic investigations of low energy Ar ion beam sputtering of Si and Ag

Energy Technology Data Exchange (ETDEWEB)

Feder, R., E-mail: rene.feder@iom-leipzig.de [Leibniz-Institut für Oberflächenmodifizierung, Permoserstraße 15, 04318 Leipzig (Germany); Frost, F.; Neumann, H.; Bundesmann, C.; Rauschenbach, B. [Leibniz-Institut für Oberflächenmodifizierung, Permoserstraße 15, 04318 Leipzig (Germany)

2013-12-15

Ion beam sputter deposition (IBD) delivers some intrinsic features influencing the growing film properties, because ion properties and geometrical process conditions generate different energy and spatial distributions of the sputtered and scattered particles. Even though IBD has been used for decades, the full capabilities are not investigated systematically and specifically used yet. Therefore, a systematic and comprehensive analysis of the correlation between the properties of the ion beam, the generated secondary particles and backscattered ions and the deposited films needs to be done. A vacuum deposition chamber has been set up which allows ion beam sputtering of different targets under variation of geometrical parameters (ion incidence angle, position of substrates and analytics in respect to the target) and of ion beam parameters (ion species, ion energy) to perform a systematic and comprehensive analysis of the correlation between the properties of the ion beam, the properties of the sputtered and scattered particles, and the properties of the deposited films. A set of samples was prepared and characterized with respect to selected film properties, such as thickness and surface topography. The experiments indicate a systematic influence of the deposition parameters on the film properties as hypothesized before. Because of this influence, the energy distribution of secondary particles was measured using an energy-selective mass spectrometer. Among others, experiments revealed a high-energetic maximum for backscattered primary ions, which shifts with increasing emission angle to higher energies. Experimental data are compared with Monte Carlo simulations done with the well-known Transport and Range of Ions in Matter, Sputtering version (TRIM.SP) code [J.P. Biersack, W. Eckstein, Appl. Phys. A: Mater. Sci. Process. 34 (1984) 73]. The thicknesses of the films are in good agreement with those calculated from simulated particle fluxes. For the positions of the

Experimental energy-dependent nuclear spin distributions

International Nuclear Information System (INIS)

Egidy, T. von; Bucurescu, D.

2009-01-01

A new method is proposed to determine the energy-dependent spin distribution in experimental nuclear-level schemes. This method compares various experimental and calculated moments in the energy-spin plane to obtain the spin-cutoff parameter σ as a function of mass A and excitation energy using a total of 7202 levels with spin assignment in 227 nuclei between F and Cf. A simple formula, σ 2 =0.391 A 0.675 (E-0.5Pa ' ) 0.312 , is proposed up to about 10 MeV that is in very good agreement with experimental σ values and is applied to improve the systematics of level-density parameters.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

Science.gov (United States)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

Upper-bound nature of the Brueckner energy of nuclear matter

International Nuclear Information System (INIS)

Harada, M.

1993-01-01

A trial wavefunction is constructed for nuclear matter in terms of the reaction matrix. The trial function includes only two-particle excitations and the resulting energy expectation value for two-nucleon forces with a state-independent repulsive core of Yukawa shape approaches in the thermodynamic limit the energy given by the lowest order Brueckner theory with standard dispersion. Evaluation of the energy expectation value is carried out in a systematic way by use of an identity that holds between the Hamiltonians and reaction matrix. (Author)

Piezoelectric Wind Energy Harvesting from Self-Excited Vibration of Square Cylinder

Directory of Open Access Journals (Sweden)

Junlei Wang

2016-01-01

Full Text Available Self-excited vibration of a square cylinder has been considered as an effective way in harvesting piezoelectric wind energy. In present work, both of the vortex-induced vibration and unstable galloping phenomenon process are investigated in a reduced velocity (Ur=U/ωn·D range of 4≤Ur≤20 with load resistance ranging in 100 Ω≤R≤1 MΩ. The vortex-induced vibration covers presynchronization, synchronization, and postsynchronization branches. An aeroelectromechanical model is given to describe the coupling of the dynamic equation of the fluid-structure interaction and the equation of Gauss law. The effects of load resistance are investigated in both the open-circuit and close-circuit system by a linear analysis, which covers the parameters of the transverse displacement, aerodynamic force, output voltage, and harvested power utilized to measure the efficiency of the system. The highest level of the transverse displacement and the maximum value of harvested power of synchronization branch during the vortex-induced vibration and galloping are obtained. The results show that the large-amplitude galloping at high wind speeds can generate energy. Additionally, energy can be harvested by utilization of the lock-in phenomenon of vortex-induced vibration under low wind speed.

Multiple electromagnetic excitations of relativistic projectiles

International Nuclear Information System (INIS)

Llope, W.J.; Braun-Munzinger, P.

1992-01-01

Conditions optimum for the first experimental verification of the multiplication electromagnetic excitations of nuclei in relativistic nucleus-nucleus collisions are described. The relative magnitudes of three important physical processes that might interfere with such a measurement are compared to the predicted strengths for the single and multiple electromagnetic excitations for various choices of the projectile mass and beam energy. Strategies are presented for making inferences concerning the presence of multiple excitation strength in experimental data

Uniform excitations in magnetic nanoparticles

Directory of Open Access Journals (Sweden)

Steen Mørup

2010-11-01

Full Text Available We present a short review of the magnetic excitations in nanoparticles below the superparamagnetic blocking temperature. In this temperature regime, the magnetic dynamics in nanoparticles is dominated by uniform excitations, and this leads to a linear temperature dependence of the magnetization and the magnetic hyperfine field, in contrast to the Bloch T3/2 law in bulk materials. The temperature dependence of the average magnetization is conveniently studied by Mössbauer spectroscopy. The energy of the uniform excitations of magnetic nanoparticles can be studied by inelastic neutron scattering.

Uniform excitations in magnetic nanoparticles

DEFF Research Database (Denmark)

Mørup, Steen; Frandsen, Cathrine; Hansen, Mikkel Fougt

2010-01-01

We present a short review of the magnetic excitations in nanoparticles below the superparamagnetic blocking temperature. In this temperature regime, the magnetic dynamics in nanoparticles is dominated by uniform excitations, and this leads to a linear temperature dependence of the magnetization...... and the magnetic hyperfine field, in contrast to the Bloch T3/2 law in bulk materials. The temperature dependence of the average magnetization is conveniently studied by Mössbauer spectroscopy. The energy of the uniform excitations of magnetic nanoparticles can be studied by inelastic neutron scattering....

Measurement and analysis of excitation functions in 16O + 103Rh system in the excitation energy range ≅ 2-4 MeV/A

International Nuclear Information System (INIS)

Singh, Devendra P.; Unnati; Sharma, Manoj Kumar; Singh, Pushpendra P.; Singh, B.P.; Prasad, R.; Gupta, Sunita; Rakesh Kumar; Bhardwaj, H.D.

2006-01-01

In the present work, excitation functions for seven evaporation residues (ERs) produced via complete fusion and incomplete fusion processes in 16 O + 103 Rh system have been measured in the energy range ≅ 47-85 MeV, using recoil catcher technique followed by off-line gamma-ray spectrometry. Comparison of the experimental data with statistical model based computer code PACE 2 revealed dominance of incomplete fusion in reactions involving alpha-emission channels. To the best of our knowledge these reactions are being reported for the first time

Coupled cluster calculations of mean excitation energies of the noble gas atoms He, Ne and Ar and of the H2 molecule

DEFF Research Database (Denmark)

Sauer, Stephan P. A.; Ul Haq, Inam; Sabin, John R.

2014-01-01

by about 1%. For the two-electron systems He and H2, our CCSD results (for a Lanczos chain length equal to the full excitation space), I0 = 42:28 eV (Helium) and I0 = 19:62 eV (H2), correspond to full conguration interaction results and are therefore the exact, non-relativistic theoretical values......Using an asymmetric-Lanczos-chain algorithm for the calculation of the coupled cluster linear response functions at the CCSD and CC2 levels of approximation, we have calculated the mean excitation energies of the noble gases He, Ne and Ar, and of the hydrogen molecule H2. Convergence with respect...... for the mean excitation energy of these two systems within the Bethe theory for the chosen basis set and, in the case of H2, at the experimental equilibrium geometry....

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

Science.gov (United States)

Beloy, K

2014-02-14

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

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

OpenAIRE

Harbola, Manoj K.; Samal, Prasanjit

2004-01-01

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

Multipole giant resonances in highly excited nuclei

International Nuclear Information System (INIS)

Xia Keding; Cai Yanhuang

1989-01-01

The isoscalar giant surface resonance and giant dipole resonance in highly excited nuclei are discussed. Excitation energies of the giant modes in 208 Pb are calculated in a simplified model, using the concept of energy wieghted sum rule (EWSR), and the extended Thomas-Fermi approximation at the finite temperature is employed to describe the finite temperature is employed to describe the finite temperature equilibrium state. It is shown that EWSR and the energy of the resonance depend only weakly on temperature in the system. This weak dependence is analysed

Perturbation expansion theory corrected from basis set superposition error. I. Locally projected excited orbitals and single excitations.

Science.gov (United States)

Nagata, Takeshi; Iwata, Suehiro

2004-02-22

The locally projected self-consistent field molecular orbital method for molecular interaction (LP SCF MI) is reformulated for multifragment systems. For the perturbation expansion, two types of the local excited orbitals are defined; one is fully local in the basis set on a fragment, and the other has to be partially delocalized to the basis sets on the other fragments. The perturbation expansion calculations only within single excitations (LP SE MP2) are tested for water dimer, hydrogen fluoride dimer, and colinear symmetric ArM+ Ar (M = Na and K). The calculated binding energies of LP SE MP2 are all close to the corresponding counterpoise corrected SCF binding energy. By adding the single excitations, the deficiency in LP SCF MI is thus removed. The results suggest that the exclusion of the charge-transfer effects in LP SCF MI might indeed be the cause of the underestimation for the binding energy. (c) 2004 American Institute of Physics.

Energy transfer in LH2 of Rhodospirillum Molischianum, studied by subpicosecond spectroscopy and configuration interaction excition calculations.

NARCIS (Netherlands)

Ihalainen, J.A.; Linnanto, J.; Myllyperkiö, P.; van Stokkum, I.H.M.; Ücker, B.; Scheer, H.; Korppi-Tommola, J.E.I.

2001-01-01

Two color transient absorption measurements were performed on a LH2 complex from Rhodospirillum molischianum by using several excitation wavelengths (790, 800, 810, and 830 nm) and probing in the spectral region from 790 to 870 nm at room temperature. The observed energy transfer time of ∼1.0 ps

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.

Entrance channel excitations in the 28Si + 28Si reaction

International Nuclear Information System (INIS)

Decowski, P.; Gierlik, E.; Box, P.F.; Kamermans, R.; Nieuwenhuizen, G.J. van; Meijer, R.J.; Griffioen, K.A.; Wilschut, H.W.; Giorni, A.; Morand, C.; Demeyer, A.; Guinet, D.

1991-01-01

Velocity spectra of heavy ions produced in the 28 Si + 28 Si reaction at bombarding energies of 19.7 and 30 MeV/nucleon were measured and interpreted within the Q-optimum model extended by the inclusion of particle evaporation from excited fragments. Regions of forward angle spectra corresponding to the mutual excitation of the reaction partners with net mass transfer zero projected onto the Q-value variable show an enhancement at Q-values of -60 - -80 MeV (excitation energies of the reaction partners equal to 30 - 40 MeV). This energy range coincides with the region of 2ℎω - 3ℎω excitations characteristic for giant osciallations. This selective excitation, which occurs at a very early stage of the reaction (the cross section is the largest at very forward angles), provides an important doorway to other dissipative processes

Systematics of threshold incident energy for deep sub-barrier fusion hindrance

International Nuclear Information System (INIS)

Ichikawa, Takatoshi; Hagino, Kouichi; Iwamoto, Akira

2007-01-01

We systematically evaluate the potential energy at the touching configuration for heavy-ion reactions using various potential models. We point out that the energy at the touching point, especially that estimated with the Krappe-Nix-Sierk (KNS) potential, strongly correlates with the threshold incident energy for steep falloff of fusion cross sections observed recently for several systems at extremely low energies. This clearly indicates that the steep fall-off phenomenon can be attributed to the dynamics after the target and projectile touch with each other, e.g., the tunneling process and the nuclear saturation property in the overlap region

Future possibilities with intermediate-energy neutron beams

International Nuclear Information System (INIS)

Brady, F.P.

1987-01-01

Future possibilities for using neutrons of intermediate energies (50 - 200 MeV) as a probe of the nucleus are discussed. Some of the recent thinking concerning a systematic approach for studying elastic and inelastic scattering of electrons and hadrons and the important role of medium- and intermediate-energy neutrons in such a programme is reviewed. The advantages of neutrons in this energy range over neutrons with lower energies and over intermediate-energy pions for determining nuclear-transition and ground state densities, and for distinguishing proton from neutron density (isovector sensitivity), are noted. The important role of (n,p) charge exchange reactions in nuclear excitation studies is also reviewed. Experimental methods for utilizing neutrons as probes in elastic, inelastic, and charge exchange studies at these energies are discussed

Analysis of complete fusion excitation functions for 7Li+152Sm, 197Au and 209Bi reactions at around barrier energies

International Nuclear Information System (INIS)

Kharab, Rajesh; Chahal, Rajiv; Kumar, Rajiv

2017-01-01

In the present work we have analyzed the fusion excitation function for CF process using the simple Wong’s formula in conjunction with the energy dependent Woods-Saxon potential (EDWSP) in near barrier energy region for 7 Li+ 152 Sm, 197 Au and 209 Bi reactions

Dipole-Dipole Electron Excitation Energy Transfer in the System CdSe/ZnS Quantum Dot - Eosin in Butyral Resin Matrix

Science.gov (United States)

Myslitskaya, N. A.; Samusev, I. G.; Bryukhanov, V. V.

2014-11-01

The electron excitation energy transfer from CdSe/ZnS quantum dots to eosin molecules in the polymer matrix of butyral resin is investigated. The main characteristics of energy transfer are determined. By means of luminescence microscopy and correlation spectroscopy methods we found that quantum dots in the polymer are in an aggregate state.

Effects of Energy Dissipation on the Parametric Excitation of a Coupled Qubit-Cavity System

Science.gov (United States)

Remizov, S. V.; Zhukov, A. A.; Shapiro, D. S.; Pogosov, W. V.; Lozovik, Yu. E.

2018-02-01

We consider a parametrically driven system of a qubit coupled to a cavity taking into account different channels of energy dissipation. We focus on the periodic modulation of a single parameter of this hybrid system, which is the coupling constant between the two subsystems. Such a modulation is possible within the superconducting realization of qubit-cavity coupled systems, characterized by an outstanding degree of tunability and flexibility. Our major result is that energy dissipation in the cavity can enhance population of the excited state of the qubit in the steady state, while energy dissipation in the qubit subsystem can enhance the number of photons generated from vacuum. We find optimal parameters for the realization of such dissipation-induced amplification of quantum effects. Our results might be of importance for the full control of quantum states of coupled systems as well as for the storage and engineering of quantum states.

Statistical description of massless excitations within a sphere with a linear equation of state and the dark energy case

Science.gov (United States)

Viaggiu, S.

2018-04-01

In this paper, we continue the investigations present in Refs. 1-3. In particular, we extend the theorem proved in Ref. 3 to any massless excitation in a given spherical box. As a first interesting result, we show that it is possible, contrary to the black hole case studied in detail in Refs. 1-3, to build macroscopic configurations with a dark energy equation of state. To this purpose, by requiring a stable configuration, a macroscopic dark fluid is obtained with an internal energy U scaling as the volume V, but with a fundamental correction looking like ˜ 1/R motivated by quantum fluctuations. Thanks to the proposition in Sec. 3 (and in Ref. 3 for gravitons), one can depict the dark energy in terms of massless excitations with a discrete spectrum. This fact opens the possibility to test a possible physical mechanism converting usual radiation into dark energy in a macroscopic configuration, also in a cosmological context. In fact, for example, in a Friedmann flat universe with a cosmological constant, particles are marginally trapped at the Hubble horizon for any given comoving observer.

Magnetic excitations in thulium metal

International Nuclear Information System (INIS)

Fernandez-Baca, J.A.; Nicklow, R.M.; Rhyne, J.J.

1989-01-01

We have performed inelastic neutron scattering measurements on a single crystal specimen of Tm at wavevectors rvec κ = (1,1, ζ) and (0,0,2 + ζ) (ζ = 0, hor-ellipsis, 1). Most of the measurements have been made at T = 5K, where Tm exhibits a seven layer ferrimagnetic-antiphase-domain structure (four moments up, parallel to the c-axis, followed by three moments down). At this temperature the excitation spectra consist of three peaks. The two lower energy excitations have been identified as originating from magneto-vibrational scattering from the TA phonon, while the higher energy excitation is magnetic and exhibits only a weak dispersion (between 8.3 and 9.6 meV). At T = 50K, a temperature at which the system exhibits a c-axis sinusoidally modulated structure, the magnetic mode shows significant softening and broadening. The magneto-vibrational scattering vanishes above the Neel temperature (T N = 58.5K) while the magnetic mode persists at least up to T = 70K. These results suggest that the Hamiltonian in this system is dominated by the crystal-field-anistropy energy, and that the exchange interaction is relatively weak. 9 refs., 2 figs

Collective excitations in itinerant spiral magnets

International Nuclear Information System (INIS)

Kampf, A.P.

1996-01-01

We investigate the coupled charge and spin collective excitations in the spiral phases of the two-dimensional Hubbard model using a generalized random-phase approximation. Already for small doping the spin-wave excitations are strongly renormalized due to low-energy particle-hole excitations. Besides the three Goldstone modes of the spiral state the dynamical susceptibility reveals an extra zero mode for low doping and strong coupling values signaling an intrinsic instability of the homogeneous spiral state. In addition, near-zero modes are found in the vicinity of the spiral pitch wave number for out-of-plane spin fluctuations. Their origin is found to be the near degeneracy with staggered noncoplanar spiral states which, however, are not the lowest energy Hartree-Fock solutions among the homogeneous spiral states. copyright 1996 The American Physical Society

Excitation function of elastic scattering on 12C + 4He system, at low energies

International Nuclear Information System (INIS)

Perez-Torres, R.; Aguilera, E. F.; Martinez-Quiroz, E.; Murillo, G.; Belyaeva, T. L.; Maldonado-Velazquez, M.

2011-01-01

Interactions in the 12 C + 4 He system are of great interest in astrophysics and to help determine the relative abundances of elements in stars, at the end of helium burning [1, 2]. The Instituto Nacional de Investigaciones Nucleares (ININ) in Mexico, have made measurements of elastic scattering for this system, using the inverse kinematics method with thick white gas [3, 4], for E CM (0.5 - 4 MeV) θ CM = 180 o . In this work we obtain excitation functions of elastic scattering of 12 C + 4 He system with angular and energy dependence; E CM = 0.5 - 4 MeV and θ CM 100 o -170 o .Using inverse kinematics method with thick white gas and energy loss tables. (Author)

Processes of the excitation energy migration and transfer in Ce3+-doped alkali gadolinium phosphates studied with time-resolved photoluminescence spectroscopy technique

International Nuclear Information System (INIS)

Stryganyuk, G.; Shalapska, T.; Voloshinovskii, A.; Gektin, A.; Krasnikov, A.; Zazubovich, S.

2011-01-01

Spectral-kinetic characteristics of Gd 3+ and Ce 3+ luminescence from a series of Ce 3+ -doped alkali gadolinium phosphates of MGdP 4 O 12 type (M=Li, Na, Cs) have been studied within 4.2-300 K temperature range using time-resolved luminescence spectroscopy techniques. The processes of energy migration along the Gd 3+ sub-lattice and energy transfer between the Gd 3+ and Ce 3+ ions have been investigated. Peculiarities of these processes have been compared for MGdP 4 O 12 phosphate hosts with different alkali metal ions. A contribution of different levels from the 6 P j multiplet of the lowest Gd 3+ excited state into the energy migration and transfer processes has been clarified. The phonon-assisted occupation of high-energy 6 P 5/2,3/2 levels by Gd 3+ in the excited 6 P j state has been revealed as a shift of Gd 3+6 P j → 8 S 7/2 emission into the short-wavelength spectral range upon the temperature increase. The relaxation of excited Gd 3+ via phonon-assisted population of Gd 3+6 P 5/2 level (next higher one to the lowest excited 6 P 7/2 ) is supposed to be responsible for the rise in probability of energy migration within the Gd 3+ sub-lattice initiating the Gd 3+ →Ce 3+ energy transfer at T 3+ →Ce 3+ energy transfer at T>150 K is explained by the increase in probability of Gd 3+ relaxation into the highest 6 P 3/2 level of the 6 P j multiplet. An efficient reversed Ce 3+ →Gd 3+ energy transfer has been revealed for the studied phosphates at 4.2 K. - Highlights: →We investigate the Gd 3+ -Ce 3+ energy transfer in alkali gadolinium phosphates. → Thermal population of Gd 3+6 P 5/2 level improves migration along the Gd sub-lattice. → Increasing overlap of Gd 3+ and Ce 3+ states enhances the Gd 3+ -Ce 3+ energy transfer. → In LiGdP 4 O 12 :Ce and NaGdP 4 O 12 :Ce an efficient Ce 3+ -Gd 3+ transfer occurs at 4-300 K. → An effective reverse Gd 3+ -Ce 3+ energy transfer becomes possible at T>150 K.

Coulomb excitation of $^{116}$Te and $^{118}$Te: a study of collectivity above the Z = 50 shell gap

CERN Multimedia

Cederkall, J A; Smith, J F; Voulot, D; Rahkila, P J; Darby, I G; Hadinia, B; Grahn, T; Paul, E S; Wadsworth, R; Bree, N C F; Baeck, T M; Julin, R J; Diriken, J V J; Jenkins, D G; Kroell, T; Leske, J; Huyse, M L

We propose to study the nature and collectivity of low-energy excitations in $^{116}$Te and $^{118}$Te. We aim to measure the transition probability of the 0$^{+}$ $\\rightarrow$ 2$^{+}$ transition by means of Coulomb excitation, employing REX-ISOLDE and MINIBALL. The proposed study probes the systematics of B(E2) values in light Te nuclei, which lie in a region of the nuclear chart where unusual phenomena and evolution of collectivity have been observed. The proposed study will shed light on the role of the residual proton-neutron interactions in the development of collectivity when approaching the N = Z line. This is a resubmission of the P-277 proposal. The suggestions of INTC have been taken into account and the data from the Yale $^{120}$Te study has been included.

Electron scattering from sodium at intermediate energies

International Nuclear Information System (INIS)

Mitroy, J.; McCarthy, I.E.

1986-10-01

A comprehensive comparison is made between theoretical calculations and experimental data for intermediate energy (≥ 10 eV) electron scattering from sodium vapour. The theoretical predictions of coupled-channels calculations (including one, two or four channels) do not agree with experimental values of the differential cross sections for elastic scattering or the resonant 3s to 3p excitation. Increasingly-more-sophisticated calculations, incorporating electron correlations in the target states, and also including core-excited states in the close-coupling expansion, are done at a few selected energies in an attempt to isolate the cause of the discrepancies between theory and experiment. It is found that these more-sophisticated calculations give essentially the same results as the two- and four-channel calculations using Hartree-Fock wavefunctions. Comparison of the sodium high-energy elastic differential cross sections with those of neon suggests that the sodium differential cross section experiments may suffer from systematic errors. There is also disagreement, at the higher energies, between theoretical values for the scattering parameters and those that are derived from laser-excited superelastic scattering and electron photon coincidence experiments. When allowance is made for the finite acceptance angle of the electron spectrometers used in the experiments by convoluting the theory with a function representing the distribution of electrons entering the electron spectrometer it is found that the magnitudes of the differences between theory and experiment are reduced

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

Science.gov (United States)

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

2017-09-01

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

Crystal field and low energy excitations measured by high resolution RIXS at the L edge of Cu, Ni and Mn

DEFF Research Database (Denmark)

Ghiringhelli, G.; Piazzalunga, A.; Wang, X.

2009-01-01

of the 3d transition metals with unprecedented energy resolution, of the order of 100 meV for Mn, Ni and Cu. We present here some preliminary spectra on CuO, malachite, NiO, , MnO and . The dd excitations are very well resolved allowing accurate experimental evaluation of 3d state energy splitting. The low...

Ion-Beam-Excited Electrostatic Ion Cyclotron Instability

DEFF Research Database (Denmark)

Michelsen, Poul; Pécseli, Hans; Juul Rasmussen, Jens

1977-01-01

The stability limits of the ion‐beam‐excited, electrostatic, ion cyclotron instability were investigated in a Q‐machine plasma where the electrons could be heated by microwaves. In agreement with theory, the beam energy necessary for excitation decreased with increasing electron temperature....

Ion-Beam-Excited, Electrostatic, Ion Cyclotron Instability

DEFF Research Database (Denmark)

Michelsen, Poul; Pécseli, Hans; Juul Rasmussen, Jens

1977-01-01

The stability limits of the ion‐beam‐excited, electrostatic, ion cyclotron instability were investigated in a Q‐machine plasma where the electrons could be heated by microwaves. In agreement with theory, the beam energy necessary for excitation decreased with increasing electron temperature....

Dissociative Excitation of Thymine by Electron Impact

Science.gov (United States)

McConkey, William; Tiessen, Collin; Hein, Jeffrey; Trocchi, Joshuah; Kedzierski, Wladek

2014-05-01

A crossed electron-gas beam system coupled to a VUV spectrometer has been used to investigate the dissociation of thymine (C5H6N2O2) into excited atomic fragments in the electron-impact energy range from threshold to 375 eV. A special stainless steel oven is used to vaporize the thymine and form it into a beam where it is intersected by a magnetically collimated electron beam, typical current 50 μA. The main features in the spectrum are the H Lyman series lines. The probability of extracting excited C or N atoms from the ring is shown to be very small. In addition to spectral data, excitation probability curves as a function of electron energy will be presented for the main emission features. Possible dissociation channels and excitation mechanisms in the parent molecule will be discussed. The authors thank NSERC (Canada) for financial support.

Evaluation of excitation energy and spin in fission fragments using the statistical model, and the FIPPS project

International Nuclear Information System (INIS)

Faust, H.; Koester, U.; Kessedjian, G.; Sage, C.; Chebboubi, A.

2013-01-01

We review the statistical model and its application for the process of nuclear fission. The expressions for excitation energy and spin distributions for the individual fission fragments are given. We will finally emphasize the importance of measuring prompt gamma decay to further test the statistical model in nuclear fission with the FIPPS project. (authors)

Hybrid lead halide perovskites for light energy conversion: Excited state properties and photovoltaic applications

Science.gov (United States)

Manser, Joseph S.

travel 220 nm over the course of 2 ns after photoexcitation, with an extrapolated diffusion length greater than one micrometer over the full excited state lifetime. The solution-processability of metal halide perovskites necessarily raises questions as to the properties of the solvated precursors and their connection to the final solid-state perovskite phase. Through structural and steady-state and time-resolved absorption studies, the important link between the excited state properties of the precursor components, composed of solvated and solid-state halometallate complexes, and CH3NH3PbI3 is evinced. This connection provides insight into optical nonlinearities and electronic properties of the perovskite phase. Fundamental studies of CH 3NH3PbI3 ultimately serve as a foundation for application of this and other related materials in high-performance devices. In the final chapter, the operation of CH3NH3PbI 3 solar cells in a tandem architecture is presented. The quest for economic, large scale hydrogen production has motivated the search for new materials and device designs capable of splitting water using only energy from the sun. In light of this, we introduce an all solution-processed tandem water splitting assembly composed of a BiVO4 photoanode and a single-junction CH3NH3PbI3 hybrid perovskite solar cell. This unique configuration allows efficient solar photon management, with the metal oxide photoanode selectively harvesting high energy visible photons and the underlying perovskite solar cell capturing lower energy visible-near IR wavelengths in a single-pass excitation. Operating without external bias under standard terrestrial one sun illumination, the photoanode-photovoltaic architecture, in conjunction with an earthabundant cobalt phosphate catalyst, exhibits a solar-to-hydrogen conversion efficiency of 2.5% at neutral pH. The design of low-cost tandem water splitting assemblies employing single-junction hybrid perovskite materials establishes a potentially

Low-energy excitations of the correlation-gap insulator SmB6: A light-scattering study

International Nuclear Information System (INIS)

Nyhus, P.; Cooper, S.L.; Fisk, Z.; Sarrao, J.

1997-01-01

We present the results of Raman scattering studies of single-crystal SmB 6 for temperatures down to 4 K and in magnetic fields up to 8 T. At temperatures below T * ∼50K the electronic Raman continuum exhibits an abrupt redistribution of scattering intensity around a temperature-independent (open-quotes isobesticclose quotes) energy, Δ c ∼290cm -1 , reflecting the opening of a pseudogap which is larger than previously suggested by transport measurements. Additionally, the Raman response exhibits at least four well-defined excitations within the gap below T * . The field dependencies of some of these in-gap states are consistent with the expected g factor (g eff =2/7) for the Sm 3+ Γ 8 level, suggesting that these gap edge states are crystal-electric-field excitations of the Sm 3+ ion split by magnetoelastic coupling. copyright 1997 The American Physical Society

Magnetic Excitations in α-RuCl3

Science.gov (United States)

Nagler, Stephen; Banerjee, Arnab; Bridges, Craig; Yan, Jiaqiang; Mandrus, David; Stone, Matthew; Aczel, Adam; Li, Ling; Yiu, Yuen; Lumsden, Mark; Knolle, Johannes; Moessner, Roderich; Tennant, Alan

2015-03-01

The layered material α-RuCl3 is composed of stacks of weakly coupled honeycomb lattices of octahedrally coordinated Ru3+ ions. The Ru ion ground state has 5 d electrons in the low spin state, with spin-orbit coupling very strong compared to other terms in the single ion Hamiltonian. The material is therefore an excellent candidate for investigating possible Heisenberg-Kitaev physics. In addition, this compound is very amenable to investigation by neutron scattering to explore the magnetic ground state and excitations in detail. Here we discuss new time-of-flight inelastic neutron scattering data on α-RuCl3. A high energy excitation near 200 meV is identified as a transition from the single ion J=1/2 ground state to the J=3/2 excited state, yielding a direct measurement of the spin orbit coupling energy. Higher resolution measurements reveal two collective modes at much lower energy scales. The results are compared with the theoretical expectations for excitations in the Heisenberg - Kitaev model on a honeycomb lattice, and show that Kitaev interactions are important. Research at SNS supported by the DOE BES Scientific User Facilities Division.

A ballistic transport model for electronic excitation following particle impact

Science.gov (United States)

Hanke, S.; Heuser, C.; Weidtmann, B.; Wucher, A.

2018-01-01

We present a ballistic model for the transport of electronic excitation energy induced by keV particle bombardment onto a solid surface. Starting from a free electron gas model, the Boltzmann transport equation (BTE) is employed to follow the evolution of the temporal and spatial distribution function f (r → , k → , t) describing the occupation probability of an electronic state k → at position r → and time t. Three different initializations of the distribution function are considered: i) a thermal distribution function with a locally and temporally elevated electron temperature, ii) a peak excitation at a specific energy above the Fermi level with a quasi-isotropic distribution in k-space and iii) an anisotropic peak excitation with k-vectors oriented in a specific transport direction. While the first initialization resembles a distribution function which may, for instance, result from electronic friction of moving atoms within an ion induced collision cascade, the peak excitation can in principle result from an autoionization process after excitation in close binary collisions. By numerically solving the BTE, we study the electronic energy exchange along a one dimensional transport direction to obtain a time and space resolved excitation energy distribution function, which is then analyzed in view of general transport characteristics of the chosen model system.

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

Vector boson excitations near deconfined quantum critical points.

Science.gov (United States)

Huh, Yejin; Strack, Philipp; Sachdev, Subir

2013-10-18

We show that the Néel states of two-dimensional antiferromagnets have low energy vector boson excitations in the vicinity of deconfined quantum critical points. We compute the universal damping of these excitations arising from spin-wave emission. Detection of such a vector boson will demonstrate the existence of emergent topological gauge excitations in a quantum spin system.

Associative ionization of neon and helium atoms by collisions of excited helium (31p) atoms of thermal energies

International Nuclear Information System (INIS)

Runge, Serge.

1980-12-01

The relative cross-sections of ionizing collisions between He + He and He + Ne atoms, have been studied, the helium being excited in a state (3 1 p) by a laser beam. The results obtained made it possible (a) to reveal in a direct manner the production of molecular ions He 2 + and He Ne + and (b) to determine the relative change in the associative ionizing cross-section in the area (0.035 - 0.17 eV) in the He (3 1 P) + Ne collision, despite the very short life of the He (3 1 P) excited state (1.7 ns). The production of He 2 + ions from an He (3 1 P) + He collision sets an upper limit to the appearance potential of these ions. The experimental study of the associative ionization in the He (3 1 P) + Ne system made it possible to extend the utilization of the GAMMA(R) self ionization model, already tested for the metastable states, to the radiative states. The GAMMA(R) model seems well suited for the description of collisions of the A excited + B type, where the excitation energy of A is greater than the ionization potential of B [fr

General theory of excitation energy transfer in donor-mediator-acceptor systems.

Science.gov (United States)

Kimura, Akihiro

2009-04-21

General theory of the excitation energy transfer (EET) in the case of donor-mediator-acceptor system was constructed by using generalized master equation (GME). In this theory, we consider the direct and indirect transitions in the EET consistently. Hence, our theory includes the quantum mechanical interference between the direct and indirect transitions automatically. Memory functions in the GME were expressed by the overlap integrals among the time-dependent emission spectrum of the donor, the absorption spectrum of the mediator, the time-dependent emission spectrum of the mediator, and the absorption spectrum of the acceptor. In the Markov limit of the memory functions, we obtained the rate of EET which consists of three terms due to the direct transition, the indirect transition, and the interference between them. We found that the interference works effectively in the limit of slow thermalization at the intermediate state. The formula of EET rate in this limit was expressed by the convolution of the EET interaction and optical spectra. The interference effect strongly depends on the width of the absorption spectrum of mediator molecule and the energy gap between the donor and the mediator molecules.

Searches for excited fermions in ep collisions at HERA

International Nuclear Information System (INIS)

Chekanov, S.; Derrick, M.; Krakauer, D.

2002-01-01

Searches in ep collisions for heavy excited fermions have been performed with the ZEUS detector at HERA. Excited states of electrons and quarks have been searched for in e + p collisions at a centre-of-mass energy of 300 GeV using an integrated luminosity of 47.7 pb -1 . Excited electrons have been sought via the decays e*→eγ, e*→eZ and e*→νW. Excited quarks have been sought via the decays q*→qγ and q*→qW. A search for excited neutrinos decaying via ν*→νγ, ν*→νZ and ν*→eW is presented using e - p collisions at 318 GeV centre-of-mass energy, corresponding to an integrated luminosity of 16.7 pb -1 . No evidence for any excited fermion is found, and limits on the characteristic couplings are derived for masses ≤250 GeV

Assessment of correlation energies based on the random-phase approximation

International Nuclear Information System (INIS)

Paier, Joachim; Ren, Xinguo; Rinke, Patrick; Scheffler, Matthias; Scuseria, Gustavo E; Grüneis, Andreas; Kresse, Georg

2012-01-01

The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought the Kohn-Sham (KS) density functional theory one step closer towards a universal, ‘general purpose first-principles method’. In an effort to systematically assess the influence of several correlation energy contributions beyond RPA, this paper presents dissociation energies of small molecules and solids, activation energies for hydrogen transfer and non-hydrogen transfer reactions, as well as reaction energies for a number of common test sets. We benchmark EX + RPA and several flavors of energy functionals going beyond it: second-order screened exchange (SOSEX), single-excitation (SE) corrections, renormalized single-excitation (rSE) corrections and their combinations. Both the SE correction and the SOSEX contribution to the correlation energy significantly improve on the notorious tendency of EX + RPA to underbind. Surprisingly, activation energies obtained using EX + RPA based on a KS reference alone are remarkably accurate. RPA + SOSEX + rSE provides an equal level of accuracy for reaction as well as activation energies and overall gives the most balanced performance, because of which it can be applied to a wide range of systems and chemical reactions. (paper)

Food for thought: Impact of metabolism on neuronal excitability.

Science.gov (United States)

Katsu-Jiménez, Yurika; Alves, Renato M P; Giménez-Cassina, Alfredo

2017-11-01

Neuronal excitability is a highly demanding process that requires high amounts of energy and needs to be exquisitely regulated. For this reason, brain cells display active energy metabolism to support their activity. Independently of their roles as energy substrates, compelling evidence shows that the nature of the fuels that neurons use contribute to fine-tune neuronal excitability. Crosstalk of neurons with glial populations also plays a prominent role in shaping metabolic flow in the brain. In this review, we provide an overview on how different carbon substrates and metabolic pathways impact neurotransmission, and the potential implications for neurological disorders in which neuronal excitability is deregulated, such as epilepsy. Copyright © 2017 Elsevier Inc. All rights reserved.