Plant Cell Imaging Based on Nanodiamonds with Excitation-Dependent Fluorescence.

Science.gov (United States)

Su, Li-Xia; Lou, Qing; Jiao, Zhen; Shan, Chong-Xin

2016-12-01

Despite extensive work on fluorescence behavior stemming from color centers of diamond, reports on the excitation-dependent fluorescence of nanodiamonds (NDs) with a large-scale redshift from 400 to 620 nm under different excitation wavelengths are so far much fewer, especially in biological applications. The fluorescence can be attributed to the combined effects of the fraction of sp(2)-hybridized carbon atoms among the surface of the fine diamond nanoparticles and the defect energy trapping states on the surface of the diamond. The excitation-dependent fluorescent NDs have been applied in plant cell imaging for the first time. The results reported in this paper may provide a promising route to multiple-color bioimaging using NDs.

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

Mean excitation energies for molecular ions

Energy Technology Data Exchange (ETDEWEB)

Jensen, Phillip W.K.; Sauer, Stephan P.A. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Oddershede, Jens [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States); Sabin, John R., E-mail: sabin@qtp.ufl.edu [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States)

2017-03-01

The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

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.

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...

Effect of Δ-isobar excitation on spin-dependent observables of elastic nucleon-deuteron scattering

International Nuclear Information System (INIS)

Nemoto, S.; Oryu, S.; Chmielewski, K.; Sauer, P.U.

2000-01-01

Δ-isobar excitation in the nuclear medium yields an effective three-nucleon force. A coupled-channel formulation with Δ-isobar excitation developed previously is used. The three-particle scattering equations are solved by a separable expansion of the two-baryon transition matrix for elastic nucleon-deuteron scattering. The effect of Δ-isobar excitation on the spin-dependent observables is studied at energies above 50 MeV nucleon lab energy. (author)

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

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

Field-orientation dependence of low-energy quasiparticle excitations in the heavy-electron superconductor UBe(13).

Science.gov (United States)

Shimizu, Yusei; Kittaka, Shunichiro; Sakakibara, Toshiro; Haga, Yoshinori; Yamamoto, Etsuji; Amitsuka, Hiroshi; Tsutsumi, Yasumasa; Machida, Kazushige

2015-04-10

Low-energy quasiparticle excitations in the superconducting (SC) state of UBe_{13} were studied by means of specific-heat (C) measurements in a rotating field. Quite unexpectedly, the magnetic-field dependence of C(H) is linear in H with no angular dependence at low fields in the SC state, implying that the gap is fully open over the Fermi surfaces, in stark contrast to previous expectations. In addition, a characteristic cubic anisotropy of C(H) was observed above 2 T with a maximum (minimum) for H∥[001] ([111]) within the (11[over ¯]0) plane, in the normal as well as in the SC states. This oscillation possibly originates from the anisotropic response of the heavy quasiparticle bands, and might be a key to understand the unusual properties of UBe_{13}.

Power density and temperature dependent multi-excited states in InAs/GaAs quantum dots

International Nuclear Information System (INIS)

Bouzaïene, L.; Sfaxi, L.; Baira, M.; Maaref, H.; Bru-Chevallier, C.

2011-01-01

Self-assembled InAs/GaAs (001) quantum dots (QDs) were grown by molecular beam epitaxy using ultra low-growth rate. A typical dot diameter of around 28 ± 2 nm and a typical height of 5 ± 1 nm are observed based on atomic force microscopy image. The photoluminescence (PL) spectra, their power and temperature dependences have been studied for ground (GS) and three excited states (1–3ES) in InAs QDs. By changing the excitation power density, we can significantly influence the distribution of excitons within the QD ensemble. The PL peak energy positions of GS and ES emissions bands depend on an excitation light power. With increasing excitation power, the GS emission energy was red-shifted, while the 1–3ES emission energies were blue-shifted. It is found that the full width at half maximum of the PL spectra has unusual relationship with increasing temperature from 9 to 300 K. The temperature dependence of QD PL spectra shown the existence of two stages of PL thermal quenching and two distinct activation energies corresponding to the temperature ranges I (9–100 K) and II (100–300 K).

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

International Nuclear Information System (INIS)

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

1981-06-01

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

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.

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.

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.

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.

High energy nuclear excitations

International Nuclear Information System (INIS)

Gogny, D.; Decharge, J.

1983-09-01

The main purpose of this talk is to see whether a simple description of the nuclear excitations permits one to characterize some of the high energy structures recently observed. The discussion is based on the linear response to different external fields calculated using the Random Phase Approximation. For those structure in heavy ion collisions at excitation energies above 50 MeV which cannot be explained with such a simple approach, we discuss a possible mechanism for this heavy ion scattering

Mean excitation energies for molecular ions

DEFF Research Database (Denmark)

Jensen, Phillip W.K.; Sauer, Stephan P.A.; Oddershede, Jens

2017-01-01

The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase...

Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.

Science.gov (United States)

Plötner, Jürgen; Tozer, David J; Dreuw, Andreas

2010-08-10

Time-dependent density functional theory (TDDFT) with standard GGA or hybrid exchange-correlation functionals is not capable of describing the potential energy surface of the S1 state of Pigment Yellow 101 correctly; an additional local minimum is observed at a twisted geometry with substantial charge transfer (CT) character. To investigate the influence of nonlocal exact orbital (Hartree-Fock) exchange on the shape of the potential energy surface of the S1 state in detail, it has been computed along the twisting coordinate employing the standard BP86, B3LYP, and BHLYP xc-functionals as well as the long-range separated (LRS) exchange-correlation (xc)-functionals LC-BOP, ωB97X, ωPBE, and CAM-B3LYP and compared to RI-CC2 benchmark results. Additionally, a recently suggested Λ-parameter has been employed that measures the amount of CT in an excited state by calculating the spatial overlap of the occupied and virtual molecular orbitals involved in the transition. Here, the error in the calculated S1 potential energy curves at BP86, B3LYP, and BHLYP can be clearly related to the Λ-parameter, i.e., to the extent of charge transfer. Additionally, it is demonstrated that the CT problem is largely alleviated when the BHLYP xc-functional is employed, although it still exhibits a weak tendency to underestimate the energy of CT states. The situation improves drastically when LRS-functionals are employed within TDDFT excited state calculations. All tested LRS-functionals give qualitatively the correct potential energy curves of the energetically lowest excited states of P. Y. 101 along the twisting coordinate. While LC-BOP and ωB97X overcorrect the CT problem and now tend to give too large excitation energies compared to other non-CT states, ωPBE and CAM-B3LYP are in excellent agreement with the RI-CC2 results, with respect to both the correct shape of the potential energy curve as well as the absolute values of the calculated excitation energies.

Simulation of spatially dependent excitation rates and power deposition in RF discharges for plasma processing

International Nuclear Information System (INIS)

Kushner, M.J.; Anderson, H.M.; Hargis, P.J.

1985-01-01

In low pressure, radio frequency (RF) discharges of the type used in plasma processing of semiconductor materials, the rate of electron impact excitation and energy transfer processes depends upon both the phase of the RF excitation and position in the discharge. Electron impact collisions create radicals that diffuse or drift to the surfaces of interest where they are adsorbed or otherwise react. To the extent that these radicals have a finite lifetime, their transport time from point of creation to surface of interest is an important parameter. The spatial dependence of the rate of the initial electron impact collisions is therefore also an important parameter. The power that sustains the discharge is coupled into the system by two mechanisms: a high energy e-beam component of the electron distribution resulting from electrons falling through or being accelerated by the sheaths, and by joule heating in the body of the plasma. In this paper, the authors discuss the spatial dependence of excitation rates and the method of power deposition iin RF discharges of the type used for plasma processing

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

Hardness and excitation energy

Indian Academy of Sciences (India)

It is shown that the first excitation energy can be given by the Kohn-Sham hardness (i.e. the energy difference of the ground-state lowest unoccupied and highest occupied levels) plus an extra term coming from the partial derivative of the ensemble exchange-correlation energy with respect to the weighting factor in the ...

Spin-isospin excitations induced by heavy ions at Saturne energies

International Nuclear Information System (INIS)

Hennino, T.

1989-01-01

Our program on the Spin-Isospin excitations started with the ( 3 He, 3 H) and ( 2 H, 2 He) reactions was extended with the heavy ion beams available at Saturne ( 12 C, 16 0, 20 Ne and 40 Ar) to study systematically the Δ excitation energy region. Projectile-ejectile dependences were measured. The Δ peak shift appears as a common feature in all charge exchange reactions. The first cross section calculations for the ( 12 C, 12 N) reaction are in good quantitative agreement with the data [fr

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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)

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

DEFF Research Database (Denmark)

Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

2008-01-01

Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

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).

Spectroscopic and DFT studies of calix[4]arene: time-dependent DFT calculations for elucidating the variation in the excitation energies with geometry

Energy Technology Data Exchange (ETDEWEB)

Boo, Bong Hyun; Kwak, Hae Ran; Hong, Seung Ki [Chungnam National University, Daejeon (Korea, Republic of); Park, Chan Jo [Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); No, Kwang Hyun [Sookmyung Womens University, Seoul (Korea, Republic of)

2010-08-15

We have searched low-lying conformers of calix[4]arene and found one global minimum having a cone shape, together with three conformers such as partial cone-shape conformers. We then elucidated the thermodynamics for the conformational changes by performing density-functional theory (DFT) calculations. The time-dependent DFT calculation enabled us to assign the absorption spectrum and to reveal a variation of the excitation energies with geometry.

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.

Convergence of environment polarization effects in multiscale modeling of excitation energies

DEFF Research Database (Denmark)

Beerepoot, Maarten; Steindal, Arnfinn Hykkerud; Ruud, Kenneth

2014-01-01

We present a systematic investigation of the influence of polarization effects from a surrounding medium on the excitation energies of a chromophore. We use a combined molecular dynamics and polarizable embedding time-dependent density functional theory (PE-TD-DFT) approach for chromophores in pr...

Energy-optimal electrical excitation of nerve fibers.

Science.gov (United States)

Jezernik, Saso; Morari, Manfred

2005-04-01

We derive, based on an analytical nerve membrane model and optimal control theory of dynamical systems, an energy-optimal stimulation current waveform for electrical excitation of nerve fibers. Optimal stimulation waveforms for nonleaky and leaky membranes are calculated. The case with a leaky membrane is a realistic case. Finally, we compare the waveforms and energies necessary for excitation of a leaky membrane in the case where the stimulation waveform is a square-wave current pulse, and in the case of energy-optimal stimulation. The optimal stimulation waveform is an exponentially rising waveform and necessitates considerably less energy to excite the nerve than a square-wave pulse (especially true for larger pulse durations). The described theoretical results can lead to drastically increased battery lifetime and/or decreased energy transmission requirements for implanted biomedical systems.

Roles of the Excitation in Harvesting Energy from Vibrations.

Directory of Open Access Journals (Sweden)

Hui Zhang

Full Text Available The study investigated the role of excitation in energy harvesting applications. While the energy ultimately comes from the excitation, it was shown that the excitation may not always behave as a source. When the device characteristics do not perfectly match the excitation, the excitation alternately behaves as a source and a sink. The extent to which the excitation behaves as a sink determines the energy harvesting efficiency. Such contradictory roles were shown to be dictated by a generalized phase defined as the instantaneous phase angle between the velocity of the device and the excitation. An inductive prototype device with a diamagnetically levitated seismic mass was proposed to take advantage of the well established phase changing mechanism of vibro-impact to achieve a broader device bandwidth. Results suggest that the vibro-impact can generate an instantaneous, significant phase shift in response velocity that switches the role of the excitation. If introduced properly outside the resonance zone it could dramatically increase the energy harvesting efficiency.

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.

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...

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

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

Inelastic surface vibrations versus energy-dependent nucleus ...

Indian Academy of Sciences (India)

Limitations of the static Woods–Saxon potential and the applicability of the energy dependent Woods–Saxon potential (EDWSP) model within the framework of one-dimensional Wong formula to explore the sub-barrier fusion data are highlighted. The inelastic surface excitations of the fusing nuclei are found to be ...

Molecular-alignment dependence in the transfer excitation of H2

International Nuclear Information System (INIS)

Wang, Y.D.; McGuire, J.H.; Weaver, O.L.; Corchs, S.E.; Rivarola, R.D.

1993-01-01

Molecular-alignment effects in the transfer excitation of H 2 by high-velocity heavy ions are studied using a two-step mechanism with amplitudes evaluated from first-order perturbation theory. Two-electron transfer excitation is treated as a result of two independent collision processes (excitation and electron transfer). Cross sections for each one-electron subprocess as well as the combined two-electron process are calculated as functions of the molecular-alignment angle. Within the independent-electron approximation, the dynamic roles of electron excitation and transfer in conjunction with molecular alignment are explored. While both excitation and transfer cross sections may strongly depend on molecular alignment, it is electron transfer that is largely responsible for the molecular-alignment dependence in the transfer excitation process. Interpretation of some experimental observations based on this model will also be discussed

Field dependence of magnetic order and excitations in the Kitaev candidate alpha-RuCl3

Science.gov (United States)

Banerjee, Arnab; Kelley, Paula; Winn, Barry; Aczel, Adam; Lumsden, Mark; Mandrus, David; Nagler, Stephen

The search for new quantum states of matter has been one of the forefront endeavors of condensed matter physics. The two-dimensional Kitaev quantum spin liquid (QSL) is of special interest as an exactly solvable spin-liquid model exhibiting exotic fractionalized excitations. Recently, alpha-RuCl3 has been identified as a candidate system for exhibiting some aspects of Kitaev QSL physics. The spins in this material exhibit zig-zag order at low temperatures, and show both low energy spin wave excitation arising from the ordered state as well as a continuum excitation extending to higher energies that has been taken as evidence for QSL relate Majorana fermions. In this talk, we show that the application of an in-plane magnetic field suppresses the zig-zag order possibly resulting in a state devoid of long-range order. Field-dependent inelastic neutron scattering on single-crystal shows a remarkable effect on the excitation spectrum above the critical field. The work is supported by US-DOE, Office of Science, Basic Energy Sciences and User Facilities Divisions, and also the Gordon and Betty Moore Foundation EPiQS Grant GBFM4416.

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.

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.

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.

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.

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

Off-resonant vibrational excitation: Orientational dependence and spatial control of photofragments

DEFF Research Database (Denmark)

Machholm, Mette; Henriksen, Niels Engholm

2000-01-01

Off-resonant and resonant vibrational excitation with short intense infrared (IR) laser pulses creates localized oscillating wave packets, but differs by the efficiency of the excitation and surprisingly by the orientational dependence. Orientational selectivity of the vibrational excitation...... of randomly oriented heteronuclear diatomic molecules can be obtained under simultaneous irradiation by a resonant and an off-resonant intense IR laser pulse: Molecules with one initial orientation will be vibrationally excited, while those with the opposite orientation will be at rest. The orientation-dependent...... distribution. (C) 2000 American Institute of Physics....

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.

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

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.

Pressure dependence of excited-state charge-carrier dynamics in organolead tribromide perovskites

Science.gov (United States)

Liu, X. C.; Han, J. H.; Zhao, H. F.; Yan, H. C.; Shi, Y.; Jin, M. X.; Liu, C. L.; Ding, D. J.

2018-05-01

Excited-state charge-carrier dynamics governs the performance of organometal trihalide perovskites (OTPs) and is strongly influenced by the crystal structure. Characterizing the excited-state charge-carrier dynamics in OTPs under high pressure is imperative for providing crucial insights into structure-property relations. Here, we conduct in situ high-pressure femtosecond transient absorption spectroscopy experiments to study the excited-state carrier dynamics of CH3NH3PbBr3 (MAPbBr3) under hydrostatic pressure. The results indicate that compression is an effective approach to modulate the carrier dynamics of MAPbBr3. Across each pressure-induced phase, carrier relaxation, phonon scattering, and Auger recombination present different pressure-dependent properties under compression. Responsiveness is attributed to the pressure-induced variation in the lattice structure, which also changes the electronic band structure. Specifically, simultaneous prolongation of carrier relaxation and Auger recombination is achieved in the ambient phase, which is very valuable for excess energy harvesting. Our discussion provides clues for optimizing the photovoltaic performance of OTPs.

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

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.

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

Momentum-dependent excitation processes in crystalline and amorphous films of conjugated oligomers

International Nuclear Information System (INIS)

Zojer, E.; Knupfer, M.; Shuai, Z.; Fink, J.; Bredas, J.L.; Hoerhold, H.-H.; Grimme, J.; Scherf, U.; Benincori, T.; Leising, G.

2000-01-01

The electronic structure of periodic materials is usually described on the basis of band-structure models, in which each state is not only characterized by its energy but also by the corresponding electron momentum. In this paper we present investigations of momentum-dependent excitation processes in a number of molecular crystals and amorphous thin films. For our studies we have chosen ladder-type quinquephenyl (5LP), distyrylbenzene (3PV), a substituted quinquephenylenevinylene (5PV), and a bridged quarterthienyl (4TB). These substances are representative for several classes of conjugated organic materials. Their physical properties are dominated by the molecular building blocks. The investigated films, however, also allow us to study differences in the characteristics of crystalline (3PV and 4TB), partly amorphous (5LP) and fully amorphous (5PV) systems. Momentum-dependent excitations are induced by inelastic electron scattering in electron-energy-loss spectroscopy (EELS) experiments. The experimental data are compared to molecule based post-Hartree-Fock quantum-chemical simulations performed with the intermediate neglect of differential overlap (INDO) approach coupled to a configuration interaction (CI) technique applying the proper momentum-dependent transition matrix elements. Our results show that even in relatively small systems the molecular electronic states can be characterized by an associated range in momentum space. In addition, differences between inelastic electron scattering spectra for low values of momentum transfer and the optical data obtained for the crystalline samples underline the strong impact of light propagation on the absorption characteristics of highly anisotropic crystalline materials

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)

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

Science.gov (United States)

Li, Shaohong L; Truhlar, Donald G

2015-07-14

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

Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations

International Nuclear Information System (INIS)

Peng, Degao; Yang, Yang; Zhang, Peng; Yang, Weitao

2014-01-01

In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N 4 ). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as 〈S ^2 〉 are also developed and tested

Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations

Energy Technology Data Exchange (ETDEWEB)

Peng, Degao; Yang, Yang; Zhang, Peng [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Yang, Weitao, E-mail: weitao.yang@duke.edu [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)

2014-12-07

In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N{sup 4}). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as 〈S{sup ^2}〉 are also developed and tested.

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.

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.

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.

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

Direct observation and theory of trajectory-dependent electronic energy losses in medium-energy ion scattering.

Science.gov (United States)

Hentz, A; Parkinson, G S; Quinn, P D; Muñoz-Márquez, M A; Woodruff, D P; Grande, P L; Schiwietz, G; Bailey, P; Noakes, T C Q

2009-03-06

The energy spectrum associated with scattering of 100 keV H+ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-28

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

Electric field dependence of the total excimer luminescence of xenon excited below the atomic ionization limit

International Nuclear Information System (INIS)

Anon.

1987-01-01

In the spectral region of interest (i.e., 11.1 eV ≤ h nu ≤ 11.9 eV), the photoionization yield of electrons from excited-state dimers of xenon, increases monotonically to relatively high values (e.g., Y(11.7 eV) = 0.43 electrons/absorbed photon). It is also known however, that the luminescence intensity excited by photons in this region is quite high, even at low pressures. These two observations can be reconciled only by assuming that one of the processes leading to excimer luminescence involves dimer-ion + electron recombination. If this assumption is correct, application of an electric field, with concomitant collection of the free charges generated by the incident photons, should lead to a decrease in luminescence intensity; moreover, this decrease should follow the energy dependence of the photoionization yield function. The present report demonstrates experimentally that this is indeed the case. Such experiments combining luminescence and electric fields were made, until now, only by high-energy excitation. In this case the deconvolution of the various decay channels is hardly possible

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...

Oleate induces KATP channel-dependent hyperpolarization in mouse hypothalamic glucose-excited neurons without altering cellular energy charge.

Science.gov (United States)

Dadak, Selma; Beall, Craig; Vlachaki Walker, Julia M; Soutar, Marc P M; McCrimmon, Rory J; Ashford, Michael L J

2017-03-27

The unsaturated fatty acid, oleate exhibits anorexigenic properties reducing food intake and hepatic glucose output. However, its mechanism of action in the hypothalamus has not been fully determined. This study investigated the effects of oleate and glucose on GT1-7 mouse hypothalamic cells (a model of glucose-excited (GE) neurons) and mouse arcuate nucleus (ARC) neurons. Whole-cell and perforated patch-clamp recordings, immunoblotting and cell energy status measures were used to investigate oleate- and glucose-sensing properties of mouse hypothalamic neurons. Oleate or lowered glucose concentration caused hyperpolarization and inhibition of firing of GT1-7 cells by the activation of ATP-sensitive K + channels (K ATP ). This effect of oleate was not dependent on fatty acid oxidation or raised AMP-activated protein kinase activity or prevented by the presence of the UCP2 inhibitor genipin. Oleate did not alter intracellular calcium, indicating that CD36/fatty acid translocase may not play a role. However, oleate activation of K ATP may require ATP metabolism. The short-chain fatty acid octanoate was unable to replicate the actions of oleate on GT1-7 cells. Although oleate decreased GT1-7 cell mitochondrial membrane potential there was no change in total cellular ATP or ATP/ADP ratios. Perforated patch and whole-cell recordings from mouse hypothalamic slices demonstrated that oleate hyperpolarized a subpopulation of ARC GE neurons by K ATP activation. Additionally, in a separate small population of ARC neurons, oleate application or lowered glucose concentration caused membrane depolarization. In conclusion, oleate induces K ATP- dependent hyperpolarization and inhibition of firing of a subgroup of GE hypothalamic neurons without altering cellular energy charge. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Concentration dependence of the light yield and energy resolution of NaI:Tl and CsI:Tl crystals excited by gamma, soft X-rays and alpha particles

CERN Document Server

Trefilova, L N; Kovaleva, L V; Zaslavsky, B G; Zosim, D I; Bondarenko, S K

2002-01-01

Based on the analysis of light yield dependence on activator concentration for NaI:Tl and CsI:Tl excited by gamma-rays, soft X-rays and alpha-particles, an explanation of the effect of energy resolution enhancement with the rise of Tl content has been proposed. Based on the concept regarding the electron track structure, we proposed an alternative explanation of the intrinsic resolution value. The concept does not take into account the non-proportional response to electrons of different energies and is based on the statistic fluctuation of scintillation photon number formed outside and inside the regions of higher ionization density.

Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set framework

Science.gov (United States)

Hutter, Jürg

2003-03-01

An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.

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

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 momentum transfer dependence of double excitations of helium

International Nuclear Information System (INIS)

Zhu Lin-Fan; Liu Xiao-Jing; Yuan Zhen-Sheng; Xu Ke-Zun

2005-01-01

The momentum transfer dependence of fundamental double excitation processes of helium is studied with high resolution and fast electron impact. It elucidates the dynamical correlations, in terms of internal correlation quantum numbers, K, T and A. The Fano profile parameters q, f a , ρ 2 , f and S of doubly excited states 2 (1,0) 2 +1se , 2 (0,1) 2 +1p0 and 2 (1,0) 2 +1De are determined as functions of momentum transfer K 2 . (author)

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....

On geometry-dependent vortex stability and topological spin excitations on curved surfaces with cylindrical symmetry

International Nuclear Information System (INIS)

Carvalho-Santos, V.L.; Apolonio, F.A.; Oliveira-Neto, N.M.

2013-01-01

We study the Heisenberg model on cylindrically symmetric curved surfaces. Two kinds of excitations are considered. The first is given by the isotropic regime, yielding the sine-Gordon equation and π solitons are predicted. The second one is given by the XY model, leading to a vortex turning around the surface. Helical states are also considered, however, topological arguments cannot be used to ensure its stability. The energy and the anisotropy parameter which stabilizes the vortex state are explicitly calculated for two surfaces: catenoid and hyperboloid. The results show that the anisotropy and the vortex energy depends on the underlying geometry. -- Highlights: •Applying the anisotropic Heisenberg model on curved surfaces. •Appearance of topological solitons on curved surfaces with cylindrical symmetry. •Calculus of the vortex energy, which depends on curvature. •Discussion on features of non-topological helical-like states. •Vortex stability ensured by the anisotropy parameter value

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

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.)

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)

Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states

Energy Technology Data Exchange (ETDEWEB)

Rüger, Robert, E-mail: rueger@scm.com [Scientific Computing & Modelling NV, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig (Germany); Lenthe, Erik van [Scientific Computing & Modelling NV, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Heine, Thomas [Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig (Germany); Visscher, Lucas [Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands)

2016-05-14

We propose a new method of calculating electronically excited states that combines a density functional theory based ground state calculation with a linear response treatment that employs approximations used in the time-dependent density functional based tight binding (TD-DFTB) approach. The new method termed time-dependent density functional theory TD-DFT+TB does not rely on the DFTB parametrization and is therefore applicable to systems involving all combinations of elements. We show that the new method yields UV/Vis absorption spectra that are in excellent agreement with computationally much more expensive TD-DFT calculations. Errors in vertical excitation energies are reduced by a factor of two compared to TD-DFTB.

Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

Energy Technology Data Exchange (ETDEWEB)

Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

2015-12-14

We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

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.

Magnetic resonance described in the excitation dependent rotating frame of reference.

Science.gov (United States)

Tahayori, Bahman; Johnston, Leigh A; Mareels, Iven M Y; Farrell, Peter M

2008-01-01

An excitation dependent rotating frame of reference to observe the magnetic resonance phenomenon is introduced in this paper that, to the best of our knowledge, has not been used previously in the nuclear magnetic resonance context. The mathematical framework for this new rotating frame of reference is presented based on time scaling the Bloch equation after transformation to the classical rotating frame of reference whose transverse plane is rotating at the Larmor frequency. To this end, the Bloch equation is rewritten in terms of a magnetisation vector observed from the excitation dependent rotating frame of reference. The resultant Bloch equation is referred to as the time scaled Bloch equation. In the excitation dependent rotating frame of reference whose coordinates are rotating at the instantaneous Rabi frequency the observed magnetisation vector is a much slower signal than the true magnetisation in the rotating frame of reference. As a result the ordinary differential equation solvers have the ability to solve the time scaled version of the Bloch equation with a larger step size resulting in a smaller number of samples for solving the equation to a desired level of accuracy. The simulation results for different types of excitation are presented in this paper. This method may be used in true Bloch simulators in order to reduce the simulation time or increase the accuracy of the numerical solution. Moreover, the time scaled Bloch equation may be employed to determine the optimal excitation pattern in magnetic resonance imaging as well as designing pulses with better slice selectivity which is an active area of research in this field.

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.

The excitation of an independent-particle gas - classical or quantal - by a time-dependent potential well

International Nuclear Information System (INIS)

Blocki, J.; Skalski, J.; Swiatecki, W.J.

1995-01-01

A systematic numerical investigation of the excitation of a classical or quantal gas of non-interacting particles in a time-dependent potential well is described. The excitation energy was followed in time for one oscillation around the sphere for six types of deformation: spheroidal shapes and Legendre polynomial ripples P 2 , P 3 , P 4 , P 5 , P 6 , with relative rms amplitudes of 0.2. Ten different speeds of deformation and eleven different values of the diffuseness of the potential well were studied, making altogether 660 quantal and 660 classical time-dependent calculations. In the upper range of deformation speeds the quantal results for the non-integrable shapes P 3 -P 6 agree approximately with the wall formula for dissipation, the deviations being largely accounted for by the wave-mechanical suppression factor of Koonin et al. For low deformation speeds the dissipation becomes dominated by one or two avoided level crossings. (orig.)

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.

Temperature dependence of the magnetic excitation spectrum of Dy2Fe14B

International Nuclear Information System (INIS)

Loewenhaupt, M.; Fabi, P.; Sosnowska, I.; Frick, B.; Eccleston, R.

1995-01-01

We present inelastic magnetic neutron scattering spectra of polycrystalline Dy 2 Fe 14 B measured between 2 and 650 K employing different time-of-flight spectrometers. At the lowest temperatures we can identify in the magnetic excitation spectra the following features: (i) a dominant line at Δ=12 meV with a shoulder at 11.1 meV, and (ii) two weak lines at 3.8 and 5.5 meV. The temperature dependence of the average position Δ of the dominant line follows roughly the temperature dependence of the spontaneous magnetization of Y 2 Fe 14 B indicating that the energy of this mode is substantially fixed by the molecular fields of the surrounding Fe moments. Slight deviations, however, indicate that the Dy level spacing is not equidistant due to crystal field effects. ((orig.))

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.

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...

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.

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...

Model dependences of the deactivation of phytoplankton pigment excitation energy on environmental conditions in the sea

Directory of Open Access Journals (Sweden)

Mirosława Ostrowska

2012-11-01

Full Text Available A semi-empirical, physical models have been derived of the quantum yield ofthe deactivation processes (fluorescence, photosynthesis and heat productionof excited states in phytoplankton pigment molecules. Besides some alreadyknown models (photosynthesis and fluorescence, this novel approachincorporates the dependence of the dissipation yield of the excitation energyin phytoplankton pigment molecules on heat. The quantitative dependences ofthe quantum yields of these three processes on three fundamental parameters ofthe marine environment are defined: the chlorophyll concentration in the surface water layer Ca(0 (the basin trophicity,the irradiance PAR(z and the temperature temp(z at the study site.The model is complemented with two other relevant models describing thequantum yield of photosynthesis and of natural Sun-Induced Chlorophyll a Fluorescence (SICF in the sea, derived earlier by the author or with herparticipation on the basis of statistical analyses of a vast amount ofempirical material. The model described in the present paper enables theestimation of the quantum yields of phytoplankton pigment heat production forany region and season, in waters of any trophicity at different depths fromthe surface to depths of ca 60 m. The model can therefore be used to estimatethe yields of these deactivation processes in more than half the thickness ofthe euphotic zone in oligotrophic waters and in the whole thickness (anddeeper of this zone in mesotrophic and eutrophic waters. In particular theserelationships may be useful for a component analysis of the budget of lightenergy absorbed by phytoplankton pigments, namely, its utilization influorescence, photochemical quenching and nonphotochemical radiationlessdissipation - i.e. direct heat production.

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.

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

Formation of H{sub 2} from internally heated polycyclic aromatic hydrocarbons: Excitation energy dependence

Energy Technology Data Exchange (ETDEWEB)

Chen, T., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se; Gatchell, M.; Stockett, M. H.; Schmidt, H. T.; Cederquist, H.; Zettergren, H., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Delaunay, R.; Rousseau, P.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Université de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Domaracka, A.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Micelotta, E. R. [Université Paris Sud, Institut d’Astrophysique Spatiale, UMR 8617, 91405 Orsay (France); Tielens, A. G. G. M. [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands)

2015-04-14

We have investigated the effectiveness of molecular hydrogen (H{sub 2}) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H{sub 2} formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis also suggests that H{sub 2} emission is correlated with multi-fragmentation processes, which means that the [PAH-2H]{sup +} peak intensities in the mass spectra may not be used for estimating H{sub 2}-formation rates.

Extended Lagrangian Excited State Molecular Dynamics.

Science.gov (United States)

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

2018-02-13

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

Magnetic field effects on exciplex-forming systems: the effect on the locally excited fluorophore and its dependence on free energy.

Science.gov (United States)

Kattnig, Daniel R; Rosspeintner, Arnulf; Grampp, Günter

2011-02-28

This study addresses magnetic field effects in exciplex forming donor-acceptor systems. For moderately exergonic systems, the exciplex and the locally excited fluorophore emission are found to be magneto-sensitive. A previously introduced model attributing this finding to excited state reversibility is confirmed. Systems characterised by a free energy of charge separation up to approximately -0.35 eV are found to exhibit a magnetic field effect on the fluorophore. A simple three-state model of the exciplex is introduced, which uses the reaction distance and the asymmetric electron transfer reaction coordinate as pertinent variables. Comparing the experimental emission band shapes with those predicted by the model, a semi-quantitative picture of the formation of the magnetic field effect is developed based on energy hypersurfaces. The model can also be applied to estimate the indirect contribution of the exchange interaction, even if the perturbative approach fails. The energetic parameters that are essential for the formation of large magnetic field effects on the exciplex are discussed.

Anomalous temperature dependence of excitation transfer between quantum dots

Czech Academy of Sciences Publication Activity Database

Král, Karel; Menšík, Miroslav

2015-01-01

Roč. 7, č. 4 (2015), 325-330 ISSN 2164-6627 R&D Projects: GA MŠk(CZ) LD14011; GA MŠk LH12236; GA MŠk LH12186 Institutional support: RVO:68378271 ; RVO:61389013 Keywords : excitation transfer * quantum dots * temperature dependence * electron-phonon interaction Subject RIV: BM - Solid Matter Physics ; Magnetism

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.)

Inter-dependence not Over-dependence: Reducing Urban Transport Energy Dependence

Energy Technology Data Exchange (ETDEWEB)

Saunders, Michael James; Rodrigues da Silva, Antonio Nelson

2007-07-01

A major issue of concern in today's world is urban transport energy dependence and energy supply security. In an energy inter-dependent world, energy over-dependence brings risks to urban transport systems. Many urban areas are over-dependent on finite petroleum resources for transport. New technology and the development and integration of renewable resources into transport energy systems may reduce some of the current transport energy dependence of urban areas. However, the most effective means of reducing energy dependence is to first design urban areas for this condition. An urban policy framework is proposed that requires transport energy dependence to be measured and controlled in the urban development process. A new tool has been created for this purpose, the Transport Energy Specification (TES), which measures transport energy dependence of urban areas. This creates the possibility for cities to regulate urban development with respect to energy dependence. Trial assessments were performed in Germany, New Zealand and Brazil; initial analysis by transport and government professionals shows promise of this tool being included into urban policy. The TES combined with a regulatory framework has the potential to significantly reduce transport energy consumption and dependence in urban areas in the future. (auth)

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

Mechanism and models for collisional energy transfer in highly excited large polyatomic molecules

International Nuclear Information System (INIS)

Gilbert, R. G.

1995-01-01

Collisional energy transfer in highly excited molecules (say, 200-500 kJ mol -1 above the zero-point energy of reactant, or of product, for a recombination reaction) is reviewed. An understanding of this energy transfer is important in predicting and interpreting the pressure dependence of gas-phase rate coefficients for unimolecular and recombination reactions. For many years it was thought that this pressure dependence could be calculated from a single energy-transfer quantity, such as the average energy transferred per collision. However, the discovery of 'super collisions' (a small but significant fraction of collisions which transfer abnormally large amounts of energy) means that this simplistic approach needs some revision. The 'ordinary' (non-super) component of the distribution function for collisional energy transfer can be quantified either by empirical models (e.g., an exponential-down functional form) or by models with a physical basis, such as biased random walk (applicable to monatomic or diatomic collision partners) or ergodic (for polyatomic collision partners) treatments. The latter two models enable approximate expressions for the average energy transfer to be estimated from readily available molecular parameters. Rotational energy transfer, important for finding the pressure dependence for recombination reactions, can for these purposes usually be taken as transferring sufficient energy so that the explicit functional form is not required to predict the pressure dependence. The mechanism of 'ordinary' energy transfer seems to be dominated by low-frequency modes of the substrate, whereby there is sufficient time during a vibrational period for significant energy flow between the collision partners. Super collisions may involve sudden energy flow as an outer atom of the substrate is squashed between the substrate and the bath gas, and then is moved away from the interaction by large-amplitude motion such as a ring vibration or a rotation; improved

The dependence of the electronic coupling on energy gap and bridge conformation - Towards prediction of the distance dependence of electron transfer reactions

International Nuclear Information System (INIS)

Eng, Mattias P.; Albinsson, Bo

2009-01-01

The attenuation factor, β, for the distance dependence of electron exchange reactions is a sensitive function of the donor-bridge energy gap and bridge conformation. In this work the electronic coupling for electron and triplet excitation energy transfer has been investigated for five commonly used repeating bridge structures. The investigated bridge structures are OF (oligo fluorene), OP (oligo phenylene), OPE (oligo p-phenyleneethynylene), OPV (oligo phenylenevinylene), and OTP (oligo thiophene). Firstly, the impact of the donor-bridge energy gap was investigated by performing calculations with a variety of donors appended onto bridges that were kept in a planar conformation. This resulted in, to our knowledge, the first presented sets of bridge specific parameters to be inserted into the commonly used McConnell model. Secondly, since at experimental conditions large conformational flexibility is expected, a previously developed model that takes conformational disorder of the bridge into account has been applied to the investigated systems [M.P. Eng, T. Ljungdahl, J. Martensson, B. Albinsson, J. Phys. Chem. B 110 (2006) 6483]. This model is based on Boltzmann averaging and has been shown to describe the temperature dependence of the attenuation factor through OPE-bridges. Together, the parameters describing the donor-bridge energy gap dependence, for planar bridge structures, and the Boltzmann averaging procedure, describing the impact of rotational disorder, have the potential to a priori predict attenuation factors for electron and excitation energy transfer reactions through bridged donor-acceptor systems

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.

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.

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.

Relative and absolute level populations in beam-foil--excited neutral helium

International Nuclear Information System (INIS)

Davidson, J.

1975-01-01

Relative and absolute populations of 19 levels in beam-foil--excited neutral helium at 0.275 MeV have been measured. The singlet angular-momentum sequences show dependences on principal quantum number consistent with n -3 , but the triplet sequences do not. Singlet and triplet angular-momentum sequences show similar dependences on level excitation energy. Excitation functions for six representative levels were measured in the range 0.160 to 0.500 MeV. The absolute level populations increase with energy, whereas the neutral fraction of the beam decreases with energy. Further, the P angular-momentum levels are found to be overpopulated with respect to the S and D levels. The overpopulation decreases with increasing principal quantum number

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

Kinetics studies following state-selective laser excitation

International Nuclear Information System (INIS)

Keto, J.W.

1994-04-01

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

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)

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

Science.gov (United States)

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

2015-12-08

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

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.

Time dependence of resonance γ-radiation modulated by acoustic excitations

International Nuclear Information System (INIS)

Mkrtchyan, A.R.; Arakelyan, A.R.; Gabrielyan, R.G.; Kocharyan, L.A.; Grigoryan, G.R.; Slavinskii, M.M.

1984-01-01

Experimental investigations of the time dependence of the γ-resonance absorption line intensity in case of modulation by acoustic waves are presented. 57 Co was used as source and a stainless steel foil was chosen as an absorber. The time dependences of the counting rate of the resonant γ-quanta corresponding to excitations with 3400 Hz and with 1.5 or 7 V at the vibrosystem transducer are plotted. The measurements show that the method has principal advantages over the conventional Moessbauer spectroscopy

Momentum Dependence of Charge Excitations in YBa2Cu3O7-δ and Nd2-xCexCuO4

Science.gov (United States)

Ishii, Kenji

2006-03-01

Resonant inelastic x-ray scattering (RIXS) studies at Cu K-edge on high-Tc superconducting cuprates, YBa2Cu3O7-δ and Nd2-xCexCuO4 are presented. The superconductivity occurs in the vicinity of the Mott insulating state and it is important to clarify the nature of the Mott gap and its doping dependence. Because RIXS has an advantage that we can measure charge excitation in a wide energy-momentum space, it gives a unique opportunity to study the electronic structure of materials. We apply this technique to high-Tc superconducting cuprates. In particular the electronic structure of strongly correlated metals is in the focus of our RIXS study. The experiments were performed at BL11XU of SPring-8, Japan, where a specially designed spectrometer for inelastic x-ray scattering is installed. In optimally doped YBa2Cu3O7-δ, anisotropic spectra are observed in the ab plane of a twin-free crystal. The Mott gap excitation from the one-dimensional CuO chain is enhanced at 2 eV near the zone boundary of the chain direction, while the excitation from the CuO2 plane is broad at 1.5-4 eV and almost independent of momentum. Theoretical calculation based on the one-dimensional and two-dimensional Hubbard model reproduces the observed features in the RIXS spectra when smaller values of the on-site Coulomb energy of the chain than that of the plane are assumed. This means that the charge transfer gap of the chain is smaller than that of the plane. On the other hand, both interband excitation across the Mott gap and intraband excitation in the upper Hubbard band are observed in the electron-doped Nd2-xCexCuO4. The intensity of the interband excitation is concentrated at ˜ 2 eV near the zone boundary while a dispersion relation with a momentum-dependent width emerges in the intraband excitation. The author would like to acknowledge to his collaborators, K. Tsutsui, Y. Endoh, T. Tohyama, K. Kuzushita, T. Inami, K. Ohwada, M. Hoesch, M. Tsubota, Y. Murakami, J. Mizuki, S. Maekawa, T

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

International Nuclear Information System (INIS)

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

2005-01-01

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

The temperature dependence of giant resonances in high-excited nucleus

International Nuclear Information System (INIS)

Li Ming; Song Hongqiu

1991-01-01

The Hartree-Fock equation and the linear response theory in finite temperature are used to calculate the positions and transition strenghths of the giant resonances of high-excited nucleus Pb 208 . The result shows a downward shift and a broadening of the giant resonance energies as temperatrue increases

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.

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.

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.

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.

Relative and absolute level populations in beam-foil-excited neutral helium

Science.gov (United States)

Davidson, J.

1975-01-01

Relative and absolute populations of 19 levels in beam-foil-excited neutral helium at 0.275 MeV have been measured. The singlet angular-momentum sequences show dependences on principal quantum number consistent with n to the -3rd power, but the triplet sequences do not. Singlet and triplet angular-momentum sequences show similar dependences on level excitation energy. Excitation functions for six representative levels were measured in the range from 0.160 to 0.500 MeV. The absolute level populations increase with energy, whereas the neutral fraction of the beam decreases with energy. Further, the P angular-momentum levels are found to be overpopulated with respect to the S and D levels. The overpopulation decreases with increasing principal quantum number.

Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional.

Science.gov (United States)

Ziegler, Tom; Krykunov, Mykhaylo; Autschbach, Jochen

2014-09-09

The random phase approximation (RPA) equation of adiabatic time dependent density functional ground state response theory (ATDDFT) has been used extensively in studies of excited states. It extracts information about excited states from frequency dependent ground state response properties and avoids, thus, in an elegant way, direct Kohn-Sham calculations on excited states in accordance with the status of DFT as a ground state theory. Thus, excitation energies can be found as resonance poles of frequency dependent ground state polarizability from the eigenvalues of the RPA equation. ATDDFT is approximate in that it makes use of a frequency independent energy kernel derived from the ground state functional. It is shown in this study that one can derive the RPA equation of ATDDFT from a purely variational approach in which stationary states above the ground state are located using our constricted variational DFT (CV-DFT) method and the ground state functional. Thus, locating stationary states above the ground state due to one-electron excitations with a ground state functional is completely equivalent to solving the RPA equation of TDDFT employing the same functional. The present study is an extension of a previous work in which we demonstrated the equivalence between ATDDFT and CV-DFT within the Tamm-Dancoff approximation.

Photon energy dependence of left-right asymmetry parameters of Kr 4p photoelectrons in the vicinity of 3d resonant excitations

International Nuclear Information System (INIS)

Ricz, S.; Holste, K.; Borovik, Jr.A.A.; Bernhardt, D.; Schippers, S.; Muller, A.; Kover, A.; Varga, D.

2011-01-01

Complete text of publication follows. A left-right asymmetry was observed experimentally for the outer s-shell photoelectrons of noble gases and of the H 2 molecule in our previous studies (see the cited articles for the definition of 'left' and 'right' as well as for the details of the experimental method). Recently, the angular distribution of 4p photoelectrons of Kr was measured with linearly polarized synchrotron radiation in the photon energy range (90 - 94.4 eV) of the 3d -1 → np resonant excitations in order to determine the anisotropy parameters. Now, also the left-right asymmetry parameters have been determined from the measured spectra of Ref. [3]. The experiment was performed at beamline BW3 of the DORIS III storage ring at HASYLAB (Hamburg, Germany). The emitted electrons were analyzed using the ESA-22D electrostatic electron spectrometer. Fig. 1 shows the measured left-right asymmetry parameters (A LR ) of the two fine structure components of Kr 4p photoelectrons. The asymmetry parameters (A LR ) are increasing with increasing photon energies reaching a maximum value of 0.04, definitely different from zero when considering the error bars. Furthermore, the left-right asymmetry parameters oscillate around the (3d 3/2,5/2 ) -1 → 5p resonant excitation for both fine structure components. Currently, we do not know what kind of interaction can produce a left-right asymmetry in photon-atom collisions but the shape of the oscillations shows interference between the unknown and the resonant excitation channels. One of the most important observations is that the sign of A LR changes from positive to negative and then back again to positive just within a narrow photon energy range of only 250 meV around the (3d 5/2 ) -1 → 5p resonant excitation. Within such a narrow range artificial asymmetry of the experimental setup is totally unconceivable. Acknowledgements. The authors thank the DORIS III staff for providing excellent working conditions. This work was

Electronic excitation in ion-atom collisions

International Nuclear Information System (INIS)

Rodriguez, V.D.; Miraglia, J.E.

1988-01-01

Theoretical calculations for excitation of hydrogen-like atoms by ion impact at high and intermediate energies, are presented. Impulsive and eikonal wave functions are employed, both normalized. It is studied the dependence on energy and projectil charge (saturation) of cross sections, compared to experimental results. (A.C.A.S.) [pt

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.

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.

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.

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)

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

Science.gov (United States)

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

2016-04-01

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

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

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

Spin-polarized spin excitation spectroscopy

International Nuclear Information System (INIS)

Loth, Sebastian; Lutz, Christopher P; Heinrich, Andreas J

2010-01-01

We report on the spin dependence of elastic and inelastic electron tunneling through transition metal atoms. Mn, Fe and Cu atoms were deposited onto a monolayer of Cu 2 N on Cu(100) and individually addressed with the probe tip of a scanning tunneling microscope. Electrons tunneling between the tip and the substrate exchange energy and spin angular momentum with the surface-bound magnetic atoms. The conservation of energy during the tunneling process results in a distinct onset threshold voltage above which the tunneling electrons create spin excitations in the Mn and Fe atoms. Here we show that the additional conservation of spin angular momentum leads to different cross-sections for spin excitations depending on the relative alignment of the surface spin and the spin of the tunneling electron. For this purpose, we developed a technique for measuring the same local spin with a spin-polarized and a non-spin-polarized tip by exchanging the last apex atom of the probe tip between different transition metal atoms. We derive a quantitative model describing the observed excitation cross-sections on the basis of an exchange scattering process.

Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

Science.gov (United States)

El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

2018-03-01

In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

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)

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.

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

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

First-principles calculation of the polarization-dependent force driving the Eg mode in bismuth under optical excitation.

Science.gov (United States)

Murray, Eamonn; Fahy, Stephen

2014-03-01

Using first principles electronic structure methods, we calculate the induced force on the Eg (zone centre transverse optical) phonon mode in bismuth immediately after absorption of polarized light. When radiation with polarization perpendicular to the c-axis is absorbed in bismuth, the distribution of excited electrons and holes breaks the three-fold rotational symmetry and leads to a net force on the atoms in the direction perpendicular to the axis. We calculate the initial excited electronic distribution as a function of photon energy and polarization and find the resulting transverse and longitudinal forces experienced by the atoms. Using the measured, temperature-dependent rate of decay of the transverse force[2], we predict the approximate amplitude of induced atomic motion in the Eg mode as a function of temperature and optical fluence. This work is supported by Science Foundation Ireland and a Marie Curie International Incoming Fellowship.

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

Structure of electron tracks in water. 2. Distribution of primary ionizations and excitations in water radiolysis

International Nuclear Information System (INIS)

Pimblott, S.M.; Mozumder, A.

1991-01-01

A procedure for the calculation of entity-specific ionization and excitation probabilities for water radiolysis at low linear energy transfer (LET) has been developed. The technique pays due attention to the effects of the ionization threshold and the energy dependence of the ionization efficiency. The numbers of primary ionizations and excitations are not directly proportional to the spur energy. At a given spur energy, ionization follows a binomial distribution subject to an energetically possible maximum. The excitation distribution for a spur of given energy and with a given number of ionizations is given by a geometric series. The occurrence probabilities depend upon the cross sections of ionization, excitation, and other inferior processes. Following the low-LET radiolysis of liquid water the most probable spurs contain one ionization, two ionizations, or one ionization and one excitation, while in water vapor they contain either one ionization or one excitation. In liquid water the most probable outcomes for spurs corresponding to the most probable energy loss (22 eV) and to the mean energy loss (38 eV) are one ionization and one excitation, and two ionizations and one excitation, respectively. In the vapor, the most probable energy loss is 14 eV which results in one ionization or one excitation and the mean energy loss is 34 eV for which the spur of maximum probability contains one ionization and two excitations. The total calculated primary yields for low-LET radiolysis are in approximate agreement with experiment in both phases

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

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

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...

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 dependence of photoluminescence in silicon quantum dots

International Nuclear Information System (INIS)

Wen Xiaoming; Lap Van Dao; Hannaford, Peter; Cho, E-C; Cho, Young H; Green, Martin A

2007-01-01

We have studied the optical properties of silicon quantum dots (QDs) embedded in a silicon oxide matrix using photoluminescence (PL) and time-resolved PL. A broad luminescence band is observed in the red region, in which the time evolution exhibits a stretched exponential decay. With increasing excitation intensity a significant saturation effect is observed. Direct electron-hole recombination is the dominant effect in the red band. A relatively narrow peak appears around 1.5 eV, which is attributed to the interface states overlapping with transition from the ground state of the silicon QDs. The saturation factor increases slowly with detection photon energy between 1.5 and 1.8 eV, which is attributed to the emission from zero-phonon electron-hole recombination. At higher photon energies the significantly increased saturation factor suggests a different emission mechanism, most likely the defect states from silicon, silicon oxide or silicon rich oxide

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

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.

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

Spin texture and magnetoroton excitations at nu=1/3.

Science.gov (United States)

Groshaus, Javier G; Dujovne, Irene; Gallais, Yann; Hirjibehedin, Cyrus F; Pinczuk, Aron; Tan, Yan-Wen; Stormer, Horst; Dennis, Brian S; Pfeiffer, Loren N; West, Ken W

2008-02-01

Neutral spin texture (ST) excitations at nu=1/3 are directly observed for the first time by resonant inelastic light scattering. They are determined to involve two simultaneous spin flips. At low magnetic fields, the ST energy is below that of the magnetoroton minimum. With increasing in-plane magnetic field these mode energies cross at a critical ratio of the Zeeman and Coulomb energies of eta(c)=0.020+/-0.001. Surprisingly, the intensity of the ST mode grows with temperature in the range in which the magnetoroton modes collapse. The temperature dependence is interpreted in terms of a competition between coexisting phases supporting different excitations. We consider the role of the ST excitations in activated transport at nu=1/3.

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

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock.

Science.gov (United States)

Hesselmann, Andreas; Görling, Andreas

2011-01-21

A recently introduced time-dependent exact-exchange (TDEXX) method, i.e., a response method based on time-dependent density-functional theory that treats the frequency-dependent exchange kernel exactly, is reformulated. In the reformulated version of the TDEXX method electronic excitation energies can be calculated by solving a linear generalized eigenvalue problem while in the original version of the TDEXX method a laborious frequency iteration is required in the calculation of each excitation energy. The lowest eigenvalues of the new TDEXX eigenvalue equation corresponding to the lowest excitation energies can be efficiently obtained by, e.g., a version of the Davidson algorithm appropriate for generalized eigenvalue problems. Alternatively, with the help of a series expansion of the new TDEXX eigenvalue equation, standard eigensolvers for large regular eigenvalue problems, e.g., the standard Davidson algorithm, can be used to efficiently calculate the lowest excitation energies. With the help of the series expansion as well, the relation between the TDEXX method and time-dependent Hartree-Fock is analyzed. Several ways to take into account correlation in addition to the exact treatment of exchange in the TDEXX method are discussed, e.g., a scaling of the Kohn-Sham eigenvalues, the inclusion of (semi)local approximate correlation potentials, or hybrids of the exact-exchange kernel with kernels within the adiabatic local density approximation. The lowest lying excitations of the molecules ethylene, acetaldehyde, and pyridine are considered as examples.

Emission spectroscopic studies on dynamics of molecular excitation and dissociation by controlled electron impact

International Nuclear Information System (INIS)

Ogawa, Teiichiro

1986-01-01

Emission spectrum by controlled electron impact has been a successful technique for the investigation of molecular dynamics. (1) Molecular excitation. Aromatic molecules give an optical emission similar to fluorescence. However, as is shown by the vibrational structure and the electron energy dependence of benzene emission, its excitation process is not necessarily optical. Some aliphatic molecules also exhibit an emission band at the ultraviolet region. (2) Molecular dissociation. Analysis of the Doppler profile, the threshold energy, the excitation function and the isotope effect of the atomic emission produced in electron-molecule collisions has clarified the dynamics of the molecular dissociation. Especially the Doppler profile has given the translational energy distribution of the fragment atom, which is very useful to disclose the potential energy curve. Its angular dependence has recently found to allow determination of the symmetry of the intermediate excited state and the magnetic sublevel distribution of the fragment atom. These finding has revealed detailed state-to-state dynamics of the molecular dissociation. (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

Shaping charge excitations in chiral edge states with a time-dependent gate voltage

Science.gov (United States)

Misiorny, Maciej; Fève, Gwendal; Splettstoesser, Janine

2018-02-01

We study a coherent conductor supporting a single edge channel in which alternating current pulses are created by local time-dependent gating and sent on a beam-splitter realized by a quantum point contact. The current response to the gate voltage in this setup is intrinsically linear. Based on a fully self-consistent treatment employing a Floquet scattering theory, we analyze the effect of different voltage shapes and frequencies, as well as the role of the gate geometry on the injected signal. In particular, we highlight the impact of frequency-dependent screening on the process of shaping the current signal. The feasibility of creating true single-particle excitations with this method is confirmed by investigating the suppression of excess noise, which is otherwise created by additional electron-hole pair excitations in the current signal.

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...

Calculation of 0-0 excitation energies of organic molecules by CIS(D) quantum chemical methods

International Nuclear Information System (INIS)

Grimme, Stefan; Izgorodina, Ekaterina I.

2004-01-01

The accuracy and reliability of the CIS(D) quantum chemical method and a spin-component scaled variant (SCS-CIS(D)) are tested for calculating 0-0 excitation energies of organic molecules. The ground and excited state geometries and the vibrational zero-point corrections are taken from (TD)DFT-B3LYP calculations. In total 32 valence excited states of different character are studied: π → π* states of polycyclic aromatic compounds/polyenes and n → π* states of carbonyl, thiocarbonyl and aza(azo)-aromatic compounds. This set is augmented by two systems of special interest, i.e., indole and the TICT state of dimethylaminbenzonitrile (DMABN). Both methods predict excitation energies that are on average higher than experiment by about 0.2 eV. The errors are found to be quite systematic (with a standard deviation of about 0.15 eV) and especially SCS-CIS(D) provides a more balanced treatment of π → π* vs. n → π* states. For the test suite of states, both methods clearly outperform the (TD)DFT-B3LYP approach. Opposed to previous conclusions about the performance of CIS(D), these methods can be recommended as reliable and efficient tools for computational studies of excited state problems in organic chemistry. In order to obtain conclusive results, however, the use of optimized excited state geometries and comparison with observables (0-0 excitation energies) are necessary

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

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)

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.

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

Science.gov (United States)

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

1994-04-01

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

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...

Natural excitation orbitals from linear response theories : Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

NARCIS (Netherlands)

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

2017-01-01

Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In

Observation of an energy threshold for large ΔE collisional relaxation of highly vibrationally excited pyrazine (Evib=31 000-41 000 cm-1) by CO2

Science.gov (United States)

Elioff, Michael S.; Wall, Mark C.; Lemoff, Andrew S.; Mullin, Amy S.

1999-03-01

Energy dependent studies of the collisional relaxation of highly vibrationally excited pyrazine through collisions with CO2 were performed for initial pyrazine energies Evib=31 000-35 000 cm-1. These studies are presented along with earlier results for pyrazine with Evib=36 000-41 000 cm-1. High-resolution transient IR laser absorption of individual CO2 (0000) rotational states (J=56-80) was used to investigate the magnitude and partitioning of energy gain into CO2 rotation and translation, which comprises the high energy tail of the energy transfer distribution function. Highly vibrationally excited pyrazine was prepared by absorption of pulsed UV light at seven wavelengths in the range λ=281-324 nm, followed by radiationless decay to pyrazine's ground electronic state. Nascent CO2 (0000) rotational populations were measured for each UV excitation wavelength and distributions of nascent recoil velocities for individual rotational states of CO2 (0000) were obtained from Doppler-broadened transient linewidth measurements. Measurements of energy transfer rate constants at each UV wavelength yield energy-dependent probabilities for collisions involving large ΔE values. These results reveal that the magnitude of large ΔE collisional energy gain in CO2 (0000) is fairly insensitive to the amount of vibrational energy in pyrazine for Evib=31 000-35 000 cm-1. A comparison with earlier studies on pyrazine with Evib=36 000-41 000 cm-1 indicates that the V→RT energy transfer increases both in magnitude and probability for Evib>36 000 cm-1. Implications of incomplete intramolecular vibrational relaxation, electronic state coupling, and isomerization barriers are discussed in light of these results.

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 study on rare gas - oxygen reactions excited by low temperature plasma

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Hiroaki; Kiuchi, Kiyoshi; Saburi, Tei; Fukaya, Kiyoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

2001-03-01

The concentration of radioactive rare gases like Xe and Kr in nuclear fuels on PWRs and BWRs increases promptly with dependent on the burn-up ratio. These gases are affect to the long performance of nuclear fuel elements due to accumulate in gap between cladding and fuel, because it has the low thermal conductivity. It is also required to develop the practical means to correct these gases including in the off-gas in nuclear plants for inhibiting the environmental pollution. On the present study, we carried out the fundamental research to evaluate the chemical reactivity of these gases under heavy irradiation. We proposed the new excitation mechanism of these gases by expecting the formation of low energy plasma under irradiation. The chemical reactivity on rare gas-oxygen system was examined by using the low energy plasma driven reaction apparatus installed the RF excitation source. The density of electrons and lower pressure limit for the RF excitation was depended on the ionization energy of each gas. It is clarified that Xe is easy to form gaseous oxide due to the high excitation efficiency in low energy plasma. (author)

Phonon excitations in multicomponent amorphous solids

International Nuclear Information System (INIS)

Vakarchuk, I.A.; Migal', V.M.; Tkachuk, V.M.

1988-01-01

The method of two-time temperature-dependent Green's functions is used to investigate phonon excitations in multicomponent amorphous solids. The equation obtained for the energy spectrum of the phonon excitations takes into account the damping associated with scattering of phonons by structure fluctuations. The quasicrystal approximation is considered, and as an example explicit expressions are obtained for the case of a two-component amorphous solid for the frequencies of the acoustical and optical modes and for the longitudinal and transverse velocities of sound. The damping is investigated

Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems

Science.gov (United States)

Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

2018-06-01

The restricted excitation subspace approximation is explored as a basis to reduce the memory storage required in linear response time-dependent density functional theory (TDDFT) calculations within the Tamm-Dancoff approximation. It is shown that excluding the core orbitals and up to 70% of the virtual orbitals in the construction of the excitation subspace does not result in significant changes in computed UV/vis spectra for large molecules. The reduced size of the excitation subspace greatly reduces the size of the subspace vectors that need to be stored when using the Davidson procedure to determine the eigenvalues of the TDDFT equations. Furthermore, additional screening of the two-electron integrals in combination with a reduction in the size of the numerical integration grid used in the TDDFT calculation leads to significant computational savings. The use of these approximations represents a simple approach to extend TDDFT to the study of large systems and make the calculations increasingly tractable using modest computing resources.

Recent History of Effector Use Modulates Practice-Dependent Changes in Corticospinal Excitability but Not Motor Learning.

Science.gov (United States)

Hussain, Sara J; Darling, Warren G; Cole, Kelly J

2016-01-01

The theory of homeostatic metaplasticity has significant implications for human motor cortical plasticity and motor learning. Previous work has shown that the extent of recent effector use before exogenously-induced plasticity can affect the direction, magnitude and variability of aftereffects. However, the impact of recent effector use on motor learning and practice-dependent plasticity is not known. We hypothesized that reducing effector use for 8 hours via hand/wrist immobilization would facilitate practice-dependent changes in corticospinal excitability and TMS-evoked thumb movement kinematics, while also promoting 24-hour retention of a ballistic motor skill. Subjects participated in a crossover study involving two conditions. During the immobilization condition, subjects wore a splint that restricted motion of the left hand and thumb for 8 hours. While wearing the splint, subjects were instructed to avoid using their left hand as much as possible. During the control condition, subjects did not wear a splint at any time nor were they instructed to avoid hand use. After either an 8 hour period of immobilization or normal hand use, we collected MEP and TMS-evoked thumb movement recruitment curves, and subjects practiced a ballistic motor skill involving rapid thumb extension. After motor practice, MEP and TMS-evoked thumb movement recruitment curves were re-tested. Retention of the motor skill was tested 30 minutes and 24 hours after motor practice. Reduced effector use did not impact pre-practice corticospinal excitability but did facilitate practice-dependent changes in corticospinal excitability, and this enhancement was specific to the trained muscle. In contrast, reducing effector use did not affect practice-dependent changes in TMS-evoked thumb movements nor did it promote acquisition or retention of the skill. Finally, we detected some associations between pre-practice excitability levels, plasticity effects and learning effects, but these did not reach

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

Spin dependent spectroscopy of heavy quarkonium

International Nuclear Information System (INIS)

Gupta, Pramila; Mehrotra, I.

2011-01-01

In the present work mass spectroscopy of charmonium and bottonium systems has been studied using energy dependent quark interquark potential in the framework of non-relativistic Schroedinger wave equation. Energy dependence gives rise to nonlocality in the potential. These authors have used the interquark potential to be of the form of harmonic oscillator with a small linear energy dependent perturbation. Their main conclusion is that energy dependence can account for saturation of the energy levels at higher excitation energies, a feature that is observed experimentally

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

Energy Technology Data Exchange (ETDEWEB)

Rebolini, Elisa, E-mail: elisa.rebolini@kjemi.uio.no; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr [Laboratoire de Chimie Théorique, Sorbonne Universités, UPMC Univ Paris 06, CNRS, 4 place Jussieu, F-75005 Paris (France)

2016-03-07

We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter approximation for the long-range response kernel. This approach goes beyond the adiabatic approximation usually used in linear-response TDDFT and aims at improving the accuracy of calculations of electronic excitation energies of molecular systems. A detailed derivation of the frequency-dependent second-order Bethe-Salpeter correlation kernel is given using many-body Green-function theory. Preliminary tests of this range-separated TDDFT method are presented for the calculation of excitation energies of the He and Be atoms and small molecules (H{sub 2}, N{sub 2}, CO{sub 2}, H{sub 2}CO, and C{sub 2}H{sub 4}). The results suggest that the addition of the long-range second-order Bethe-Salpeter correlation kernel overall slightly improves the excitation energies.

Excitation of the Δ resonance in heavy ion charge exchange reactions

International Nuclear Information System (INIS)

Roy-Stephan, M.

1987-06-01

Results on the Δ excitation by heavy ion charge exchange are presented. 900 MeV per nucleon 12 C, 16 0, 20 Ne and 1100 MeV per nucleon 12 C have been used. The Δ excitation strength depends on the projectile - ejectile nature and on the incident energy. The role of the target mass is also discussed. The peak for the Δ in nuclei is energy shifted from the free Δ peak

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.

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

Discretization-dependent model for weakly connected excitable media

Science.gov (United States)

Arroyo, Pedro André; Alonso, Sergio; Weber dos Santos, Rodrigo

2018-03-01

Pattern formation has been widely observed in extended chemical and biological processes. Although the biochemical systems are highly heterogeneous, homogenized continuum approaches formed by partial differential equations have been employed frequently. Such approaches are usually justified by the difference of scales between the heterogeneities and the characteristic spatial size of the patterns. Under different conditions, for example, under weak coupling, discrete models are more adequate. However, discrete models may be less manageable, for instance, in terms of numerical implementation and mesh generation, than the associated continuum models. Here we study a model to approach discreteness which permits the computer implementation on general unstructured meshes. The model is cast as a partial differential equation but with a parameter that depends not only on heterogeneities sizes, as in the case of quasicontinuum models, but also on the discretization mesh. Therefore, we refer to it as a discretization-dependent model. We validate the approach in a generic excitable media that simulates three different phenomena: the propagation of action membrane potential in cardiac tissue, in myelinated axons of neurons, and concentration waves in chemical microemulsions.

Nuclei far from stability. Individual and collective excitations at low energy

International Nuclear Information System (INIS)

Meyer, M.

1984-01-01

The low energy structure of exotic nuclei is discussed in terms of self-consistent microscopic models. The experimental striking features of the spectroscopy of these nuclei are briefly surveyed and the schematic steps performed to obtain from effective N-N interactions their spectroscopic properties are presented. Their saturation and deformation properties are given by the Hartree-Fock approximation (HF). Then it is shown how to describe the dynamics of even-even exotic nuclei excited states by solving the complete Bohr Hamiltonian, built microscopically using the HF approximation and the adiabatic limit (and its derivatives) of the time-dependent HF approximation (ATDHF). The structure of odd and doubly odd nuclei is discussed in the framework of the unified model, ie the microscopic rotor + quasiparticles model. Finally possible future directions of experimental research concerning exotic nuclei are described and improvements or new theoretical approaches discussed [fr

Exactly solvable energy-dependent potentials

International Nuclear Information System (INIS)

Garcia-Martinez, J.; Garcia-Ravelo, J.; Pena, J.J.; Schulze-Halberg, A.

2009-01-01

We introduce a method for constructing exactly-solvable Schroedinger equations with energy-dependent potentials. Our method is based on converting a general linear differential equation of second order into a Schroedinger equation with energy-dependent potential. Particular examples presented here include harmonic oscillator, Coulomb and Morse potentials with various types of energy dependence.

Nuclear quantum effects on the nonadiabatic decay mechanism of an excited hydrated electron

Science.gov (United States)

Borgis, Daniel; Rossky, Peter J.; Turi, László

2007-11-01

We present a kinetic analysis of the nonadiabatic decay mechanism of an excited state hydrated electron to the ground state. The theoretical treatment is based on a quantized, gap dependent golden rule rate constant formula which describes the nonadiabatic transition rate between two quantum states. The rate formula is expressed in terms of quantum time correlation functions of the energy gap and of the nonadiabatic coupling. These gap dependent quantities are evaluated from three different sets of mixed quantum-classical molecular dynamics simulations of a hydrated electron equilibrated (a) in its ground state, (b) in its first excited state, and (c) on a hypothetical mixed potential energy surface which is the average of the ground and the first excited electronic states. The quantized, gap dependent rate results are applied in a phenomenological kinetic equation which provides the survival probability function of the excited state electron. Although the lifetime of the equilibrated excited state electron is computed to be very short (well under 100fs), the survival probability function for the nonequilibrium process in pump-probe experiments yields an effective excited state lifetime of around 300fs, a value that is consistent with the findings of several experimental groups and previous theoretical estimates.

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

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.

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

carboxylate triplet state energies from 19 150 to 20 600 cm{sup -1} was demonstrated in dependence on the type of the carboxylate anion. The interligand energy transfer from Phen to carboxylate lowest triplet state was revealed in complexes with Phen ligand. The effect of OH-group inserted in 1- or 3-position of 2-naphthoate ligand on the excitation energy transfer is also analyzed.

Trajectory-dependent energy loss for swift He atoms axially scattered off a silver surface

Energy Technology Data Exchange (ETDEWEB)

Ríos Rubiano, C.A. [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina); Bocan, G.A. [Centro Atómico Bariloche, Comisión Nacional de Energía Ató mica, and Consejo Nacional de Investigaciones Científicas y Técnicas, S.C. de Bariloche, Río Negro (Argentina); Juaristi, J.I. [Departamento de Física de Materiales, Facultad de Químicas, UPV/EHU, 20018 San Sebastián (Spain); Donostia International Physics Center (DIPC) and Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), 20018 San Sebastián (Spain); Gravielle, M.S., E-mail: msilvia@iafe.uba.ar [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina)

2014-12-01

Angle- and energy-loss-resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile distributions are evaluated within a semi-classical formalism that includes dissipative effects due to electron–hole excitations through a friction force. For mono-energetic beams impinging along the [11{sup ¯}0],[11{sup ¯}2] and [001] directions, the model predicts the presence of multiple peak structures in energy-loss spectra. Such structures provide detailed information about the trajectory-dependent energy loss. However, when the experimental dispersion of the incident beam is taken into account, these energy-loss peaks are completely washed out, giving rise to a smooth energy-loss distribution, in fairly good agreement with available experimental data.

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.

Target mass number dependence of cluster excitation in hadron-nucleus collisions

International Nuclear Information System (INIS)

Komarov, V.I.; Mueller, H.; Tesch, S.

1984-06-01

A phenomenological cluster excitation model is used to calculate spectra of backward emitted protons and pions from proton- and pion-nucleus collisions at incidence energies of 1 GeV to 400 GeV. Assuming the same properties of clusters within all target nuclei good agreement of the model calculations with experimental data is reached for a wide region of the target mass number. (author)

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

Modulation of Corticospinal Excitability Depends on the Pattern of Mechanical Tactile Stimulation

Directory of Open Access Journals (Sweden)

Sho Kojima

2018-01-01

Full Text Available We investigated the effects of different patterns of mechanical tactile stimulation (MS on corticospinal excitability by measuring the motor-evoked potential (MEP. This was a single-blind study that included nineteen healthy subjects. MS was applied for 20 min to the right index finger. MS intervention was defined as simple, lateral, rubbing, vertical, or random. Simple intervention stimulated the entire finger pad at the same time. Lateral intervention stimulated with moving between left and right on the finger pad. Rubbing intervention stimulated with moving the stimulus probe, fixed by protrusion pins. Vertical intervention stimulated with moving in the forward and backward directions on the finger pad. Random intervention stimulated to finger pad with either row protrudes. MEPs were measured in the first dorsal interosseous muscle to transcranial magnetic stimulation of the left motor cortex before, immediately after, and 5–20 min after intervention. Following simple intervention, MEP amplitudes were significantly smaller than preintervention, indicating depression of corticospinal excitability. Following lateral, rubbing, and vertical intervention, MEP amplitudes were significantly larger than preintervention, indicating facilitation of corticospinal excitability. The modulation of corticospinal excitability depends on MS patterns. These results contribute to knowledge regarding the use of MS as a neurorehabilitation tool to neurological disorder.

Modulation of Corticospinal Excitability Depends on the Pattern of Mechanical Tactile Stimulation.

Science.gov (United States)

Kojima, Sho; Onishi, Hideaki; Miyaguchi, Shota; Kotan, Shinichi; Sasaki, Ryoki; Nakagawa, Masaki; Kirimoto, Hikari; Tamaki, Hiroyuki

2018-01-01

We investigated the effects of different patterns of mechanical tactile stimulation (MS) on corticospinal excitability by measuring the motor-evoked potential (MEP). This was a single-blind study that included nineteen healthy subjects. MS was applied for 20 min to the right index finger. MS intervention was defined as simple, lateral, rubbing, vertical, or random. Simple intervention stimulated the entire finger pad at the same time. Lateral intervention stimulated with moving between left and right on the finger pad. Rubbing intervention stimulated with moving the stimulus probe, fixed by protrusion pins. Vertical intervention stimulated with moving in the forward and backward directions on the finger pad. Random intervention stimulated to finger pad with either row protrudes. MEPs were measured in the first dorsal interosseous muscle to transcranial magnetic stimulation of the left motor cortex before, immediately after, and 5-20 min after intervention. Following simple intervention, MEP amplitudes were significantly smaller than preintervention, indicating depression of corticospinal excitability. Following lateral, rubbing, and vertical intervention, MEP amplitudes were significantly larger than preintervention, indicating facilitation of corticospinal excitability. The modulation of corticospinal excitability depends on MS patterns. These results contribute to knowledge regarding the use of MS as a neurorehabilitation tool to neurological disorder.

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.

Excited hydrogen bonds in the molecular mechanism of muscle contraction.

Science.gov (United States)

Bespalova, S V; Tolpygo, K B

1991-11-21

The mechanism of muscle contraction is considered. The hydrolysis of an ATP molecule is assumed to produce the excitation of hydrogen bonds A--H...B between electronegative atoms A and B, which are contained in the myosin head and actin filament. This excitation energy epsilon f depends on the interatomic distance AB = R and generates the tractive force f = -delta epsilon f/delta R, that makes atoms AB approach each other. The swing of the myosin head results in macroscopic mutual displacement of actin and myosin polymers. The motion of the actin filament under the action of this force is studied. The conditions under which a considerable portion of the excitation energy converts into the potential tension energy of the actin filament are analysed, and the probability of higher muscle efficiency existence is discussed.

Anisotropic Intervalley Plasmon Excitations in Graphene

International Nuclear Information System (INIS)

Chen Jian; Xu Huai-Zhe

2015-01-01

We investigate theoretically the intervalley plasmon excitations (IPEs) in graphene monolayer within the random-phase approximation. We derive an analytical expression of the real part of the dielectric function. We find a low-energy plasmon mode with a linear anisotropic dispersion which depends on the Fermi energy and the dielectric constant of substrate. The IPEs show strongly anisotropic behavior, which becomes significant around the zigzag crystallographic direction. More interestingly, the group velocity of IPE varies from negative to positive, and vanishes at special energy. (paper)

Emission-energy dependence of ultrafast P-emission decay in ZnO from bulk to nanofilm

International Nuclear Information System (INIS)

Wakaiki, Shuji; Ichida, Hideki; Bamba, Motoaki; Kawase, Toshiki; Kawakami, Masaki; Mizoguchi, Kohji; Kim, DaeGwi; Nakayama, Masaaki; Kanematsu, Yasuo

2014-01-01

We have performed time-resolved photoluminescence (PL) spectroscopy for ZnO thin films with thicknesses of 90, 460, and 2800 nm under intense excitation condition. We clearly observed the P emission due to inelastic exciton–exciton scattering. It was found that, in the 460- and 2800-nm thick samples, the decay time of the P emission considerably depends on the detection energy inversely proportional to the group velocity of the polariton in a bulk crystal with each factor of proportionality. In contrast, the energy dependence is less remarkable in the 90-nm thick sample. The decay times are basically shortened with a decrease in the film thickness. The thickness dependence of the P-emission-decay profiles is explained by considering the crossover from the polariton modes in the 2800-nm thick sample (bulk-like film) to the exciton-/photon-like modes in the 90-nm thick sample (nanofilm). - Highlights: • We clearly observed the P-PL dynamics due to inelastic exciton–exciton scattering. • The P-PL decay times are basically shortened with a decrease in the film thickness. • The P-PL decay time depends on the detection energy in the bulk-like sample. • The energy dependence of the P-PL decay time almost disappears in the 90-nm sample. • The thickness dependence is explained by the crossover between exciton and photon

Emission-energy dependence of ultrafast P-emission decay in ZnO from bulk to nanofilm

Energy Technology Data Exchange (ETDEWEB)

Wakaiki, Shuji, E-mail: s.wakaiki@mls.eng.osaka-u.ac.jp [Department of Material and Life Science, Division of Advanced Science and Biotechnology, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan); Ichida, Hideki [Department of Material and Life Science, Division of Advanced Science and Biotechnology, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan); Science and Technology Entrepreneurship Laboratory, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan); Bamba, Motoaki [Department of Physics, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043 (Japan); Kawase, Toshiki; Kawakami, Masaki [Department of Applied Physics, Graduate School of Engineering, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan); Mizoguchi, Kohji [Department of Physical Science, Graduate School of Science, Osaka Prefecture University, 1-1 Gakuen, Naka-ku, Sakai, Osaka 599-8531 (Japan); Kim, DaeGwi; Nakayama, Masaaki [Department of Applied Physics, Graduate School of Engineering, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585 (Japan); Kanematsu, Yasuo [Department of Material and Life Science, Division of Advanced Science and Biotechnology, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan); Science and Technology Entrepreneurship Laboratory, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2014-08-01

We have performed time-resolved photoluminescence (PL) spectroscopy for ZnO thin films with thicknesses of 90, 460, and 2800 nm under intense excitation condition. We clearly observed the P emission due to inelastic exciton–exciton scattering. It was found that, in the 460- and 2800-nm thick samples, the decay time of the P emission considerably depends on the detection energy inversely proportional to the group velocity of the polariton in a bulk crystal with each factor of proportionality. In contrast, the energy dependence is less remarkable in the 90-nm thick sample. The decay times are basically shortened with a decrease in the film thickness. The thickness dependence of the P-emission-decay profiles is explained by considering the crossover from the polariton modes in the 2800-nm thick sample (bulk-like film) to the exciton-/photon-like modes in the 90-nm thick sample (nanofilm). - Highlights: • We clearly observed the P-PL dynamics due to inelastic exciton–exciton scattering. • The P-PL decay times are basically shortened with a decrease in the film thickness. • The P-PL decay time depends on the detection energy in the bulk-like sample. • The energy dependence of the P-PL decay time almost disappears in the 90-nm sample. • The thickness dependence is explained by the crossover between exciton and photon.

Mathematical modelling of frequency-dependent hysteresis and energy loss of FeBSiC amorphous alloy

International Nuclear Information System (INIS)

Koprivica, Branko; Milovanovic, Alenka; Mitrovic, Nebojsa

2017-01-01

The aim of this paper is to present a novel mathematical model of frequency-dependent magnetic hysteresis. The major hysteresis loop in this model is represented by the ascending and descending curve over an arctangent function. The parameters of the hysteresis model have been calculated from a measured hysteresis loop of the FeBSiC amorphous alloy sample. A number of measurements have been performed with this sample at different frequencies of the sinusoidal excitation magnetic field. A variation of the coercive magnetic field with the frequency has been observed and used in the modelling of frequency-dependent hysteresis with the proposed model. A comparison between measured and modelled hysteresis loops has been presented. Additionally, the areas of the obtained hysteresis loops, representing the energy loss per unit volume, have been calculated and the dependence of the energy loss on the frequency is shown. Furthermore, two models of the frequency dependence of the coercivity and two models of the energy loss separation have been used for fitting the experimental and simulation results. The relations between these models and their parameters have been observed and analysed. Also, the relations between parameters of the hysteresis model and the parameters of the energy loss separation models have been analysed and discussed. - Highlights: • A mathematical model of frequency-dependent hysteresis is proposed. • Dependence of coercivity and energy loss per unit volume on frequency is modelled. • Equivalence between models and relation between model parameters are presented.

Triplet excited electronic state switching induced by hydrogen bonding: A transient absorption spectroscopy and time-dependent DFT study

Energy Technology Data Exchange (ETDEWEB)

Ravi Kumar, Venkatraman; Ariese, Freek; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India)

2016-03-21

The solvent plays a decisive role in the photochemistry and photophysics of aromatic ketones. Xanthone (XT) is one such aromatic ketone and its triplet-triplet (T-T) absorption spectra show intriguing solvatochromic behavior. Also, the reactivity of XT towards H-atom abstraction shows an unprecedented decrease in protic solvents relative to aprotic solvents. Therefore, a comprehensive solvatochromic analysis of the triplet-triplet absorption spectra of XT was carried out in conjunction with time dependent density functional theory using the ad hoc explicit solvent model approach. A detailed solvatochromic analysis of the T-T absorption bands of XT suggests that the hydrogen bonding interactions are different in the corresponding triplet excited states. Furthermore, the contributions of non-specific and hydrogen bonding interactions towards differential solvation of the triplet states in protic solvents were found to be of equal magnitude. The frontier molecular orbital and electron density difference analysis of the T{sub 1} and T{sub 2} states of XT indicates that the charge redistribution in these states leads to intermolecular hydrogen bond strengthening and weakening, respectively, relative to the S{sub 0} state. This is further supported by the vertical excitation energy calculations of the XT-methanol supra-molecular complex. The intermolecular hydrogen bonding potential energy curves obtained for this complex in the S{sub 0}, T{sub 1}, and T{sub 2} states support the model. In summary, we propose that the different hydrogen bonding mechanisms exhibited by the two lowest triplet excited states of XT result in a decreasing role of the nπ{sup ∗} triplet state, and are thus responsible for its reduced reactivity towards H-atom abstraction in protic solvents.

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.

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.

Nuclear-excited Feshbach resonances in the electron scattering from hydrogen halides

International Nuclear Information System (INIS)

Knoth, G.; Gote, M.; Radle, M.; Jung, K.; Ehrhardt, H.

1989-01-01

The energy dependences of the differential cross sections for the electron impact excitation of the higher vibrational levels (v=2 and v=3) of HF and HCl have been measured. Besides the threshold peak a resonance structure has been observed in the v=3 excitation functions of HF below the cusp structure at the opening of the v=4 channel. This resonance structure is the first experimental proof for the existence of the nuclear-excited Feshbach resonances which are interpreted to be the origin of the threshold peaks in the vibrational excitation channels

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...

Excitation power dependence of photoluminescence spectra of GaSb type-II quantum dots in GaAs grown by droplet epitaxy

Energy Technology Data Exchange (ETDEWEB)

Kawazu, T., E-mail: KAWAZU.Takuya@nims.go.jp; Noda, T.; Sakuma, Y. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Sakaki, H. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Toyota Technological Institute, 2-12-1 Hisakata, Tempaku-ku, Nagoya 468-8511 (Japan)

2016-04-15

We investigated the excitation power P dependence of photoluminescence (PL) spectra of GaSb type-II quantum dots (QDs) in GaAs grown by droplet epitaxy. We prepared two QD samples annealed at slightly different temperatures (380 {sup o}C and 400 {sup o}C) and carried out PL measurements. The 20 {sup o}C increase of the annealing temperature leads to (1) about 140 and 60 times stronger wetting layer (WL) luminescence at low and high P, (2) about 45% large energy shift of QD luminescence with P, and (3) the different P dependence of the PL intensity ratio between the QD and the WL. These differences of the PL characteristics are explained by the effects of the WL.

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.

Search for Excited Neutrinos at HERA

CERN Document Server

Adloff, C.; Andrieu, B.; Anthonis, T.; Arkadov, V.; Astvatsatourov, A.; Babaev, A.; Bahr, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Bate, P.; Becker, J.; Beglarian, A.; Behnke, O.; Beier, C.; Belousov, A.; Benisch, T.; Berger, C.; Berndt, T.; Bizot, J.C.; Boehme, J.; Boudry, V.; Braunschweig, W.; Brisson, V.; Broker, H.B.; Brown, D.P.; Bruckner, W.; Bruncko, D.; Burger, J.; Busser, F.W.; Bunyatyan, A.; Burrage, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Cao, Jun; Caron, S.; Cassol-Brunner, F.; Clarke, D.; Clerbaux, B.; Collard, C.; Contreras, J.G.; Coppens, Y.R.; Coughlan, J.A.; Cousinou, M.C.; Cox, B.E.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Dau, W.D.; Daum, K.; Davidsson, M.; Delcourt, B.; Delerue, N.; Demirchyan, R.; De Roeck, A.; De Wolf, E.A.; Diaconu, C.; Dingfelder, J.; Dixon, P.; Dodonov, V.; Dowell, J.D.; Droutskoi, A.; Dubak, A.; Duprel, C.; Eckerlin, Guenter; Eckstein, D.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellerbrock, M.; Elsen, E.; Erdmann, M.; Erdmann, W.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Ferencei, J.; Ferron, S.; Fleischer, M.; Fleming, Y.H.; Flugge, G.; Fomenko, A.; Foresti, I.; Formanek, J.; Franke, G.; Gabathuler, E.; Gabathuler, K.; Garvey, J.; Gassner, J.; Gayler, Joerg; Gerhards, R.; Gerlich, C.; Ghazaryan, Samvel; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Grab, C.; Grassler, H.; Greenshaw, T.; Grindhammer, Guenter; Hadig, T.; Haidt, D.; Hajduk, L.; Haller, J.; Haynes, W.J.; Heinemann, B.; Heinzelmann, G.; Henderson, R.C.W.; Hengstmann, S.; Henschel, H.; Heremans, R.; Herrera, G.; Herynek, I.; Hildebrandt, M.; Hilgers, M.; Hiller, K.H.; Hladky, J.; Hoting, P.; Hoffmann, D.; Horisberger, R.; Hurling, S.; Ibbotson, M.; Issever, C.; Jacquet, M.; Jaffre, M.; Janauschek, L.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, C.; Johnson, D.P.; Jones, M.A.S.; Jung, H.; Kant, D.; Kapichine, M.; Karlsson, M.; Karschnick, O.; Keil, F.; Keller, N.; Kennedy, J.; Kenyon, I.R.; Kermiche, S.; Kiesling, Christian M.; Kjellberg, P.; Klein, M.; Kleinwort, C.; Kluge, T.; Knies, G.; Koblitz, B.; Kolya, S.D.; Korbel, V.; Kostka, P.; Kotelnikov, S.K.; Koutouev, R.; Koutov, A.; Krehbiel, H.; Kroseberg, J.; Kruger, K.; Kupper, A.; Kuhr, T.; Kurca, T.; Lahmann, R.; Lamb, D.; Landon, M.P.J.; Lange, W.; Lastovicka, T.; Laycock, P.; Lebailly, E.; Lebedev, A.; Leissner, B.; Lemrani, R.; Lendermann, V.; Levonian, S.; Lindstroem, M.; List, B.; Lobodzinska, E.; Lobodzinski, B.; Loginov, A.; Loktionova, N.; Lubimov, V.; Luders, S.; Luke, D.; Lytkin, L.; Mahlke-Kruger, H.; Malden, N.; Malinovski, E.; Malinovski, I.; Maracek, R.; Marage, P.; Marks, J.; Marshall, R.; Martyn, H.U.; Martyniak, J.; Maxfield, S.J.; Meer, D.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, J.; Meyer, P.O.; Mikocki, S.; Milstead, D.; Mkrtchyan, T.; Mohr, R.; Mohrdieck, S.; Mondragon, M.N.; Moreau, F.; Morozov, A.; Morris, J.V.; Muller, K.; Murin, P.; Nagovizin, V.; Naroska, B.; Naumann, J.; Naumann, T.; Nellen, G.; Newman, Paul R.; Nicholls, T.C.; Niebergall, F.; Niebuhr, C.; Nix, O.; Nowak, G.; Olsson, J.E.; Ozerov, D.; Panassik, V.; Pascaud, C.; Patel, G.D.; Peez, M.; Perez, E.; Phillips, J.P.; Pitzl, D.; Poschl, R.; Potachnikova, I.; Povh, B.; Rabbertz, K.; Radel, G.; Rauschenberger, J.; Reimer, P.; Reisert, B.; Reyna, D.; Risler, C.; Rizvi, E.; Robmann, P.; Roosen, R.; Rostovtsev, A.; Rusakov, S.; Rybicki, K.; Sankey, D.P.C.; Scheins, J.; Schilling, F.P.; Schleper, P.; Schmidt, D.; Schmidt, S.; Schmitt, S.; Schneider, M.; Schoeffel, L.; Schoning, A.; Schorner, T.; Schroder, V.; Schultz-Coulon, H.C.; Schwanenberger, C.; Sedlak, K.; Sefkow, F.; Chekelian, V.; Sheviakov, I.; Shtarkov, L.N.; Sirois, Y.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, Arnd E.; Spitzer, H.; Stamen, R.; Stella, B.; Stiewe, J.; Straumann, U.; Swart, M.; Tasevsky, M.; Chernyshov, V.; Chetchelnitski, S.; Thompson, Graham; Thompson, P.D.; Tobien, N.; Traynor, D.; Truoel, Peter; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Turney, J.E.; Tzamariudaki, E.; Udluft, S.; Urban, Marcel; Usik, A.; Valkar, S.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Vassiliev, S.; Vazdik, Y.; Vichnevski, A.; Wacker, K.; Wallny, R.; Waugh, B.; Weber, G.; Weber, M.; Wegener, D.; Werner, C.; Werner, M.; Werner, N.; White, G.; Wiesand, S.; Wilksen, T.; Winde, M.; Winter, G.G.; Wissing, C.; Wobisch, M.; Woehrling, E.E.; Wunsch, E.; Wyatt, A.C.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhokin, A.; Zomer, F.; Zsembery, J.; zur Nedden, M.

2002-01-01

We present a search for excited neutrinos using e^-p data taken by the H1 experiment at HERA at a center-of-mass energy of 318 GeV with an integrated luminosity of 15 pb-1. No evidence for excited neutrino production is found. Mass dependent exclusion limits are determined for the ratio of the coupling to the compositeness scale, f/Lambda, independently of the relative couplings to the SU(2) and U(1) gauge bosons. These limits extend the excluded region to higher masses than has been possible in previous searches at other colliders.

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

Cross sections for energy transfer in collisions between two excited sodium atoms

International Nuclear Information System (INIS)

Huennekens, J.; Gallagher, A.

1983-01-01

We have measured cross sections, sigma/sub n/L, for the excitation transfer process Na(3P)+Na(3P)→Na(3S)+Na(nL), where nL is the 4D or 5S level. Our results are sigma/sub 4D/ = 23 A 2 +- 35% and sigma/sub 5S/ = 16 A 2 +- 35% at Tapprox.600 K. To obtain these cross sections we have used pulsed excitation and measured the intensities of 4D, 5S, and 3P fluorescence emissions, and the spatial distribution of excited atoms resulting from radiation diffusion, as well as the excited atom density as a function of time. Additionally, we have accounted for (time-dependent) radiation trapping of 3P and nL level radiation and for the resulting anisotropies of these fluorescence emissions. Comparisons of our results with theory have been made, and their relevance to other experiments is discussed

Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?

Science.gov (United States)

Nemykin, Victor N; Hadt, Ryan G; Belosludov, Rodion V; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2007-12-20

A time-dependent density functional theory (TDDFT) approach coupled with 14 different exchange-correlation functionals was used for the prediction of vertical excitation energies in zinc phthalocyanine (PcZn). In general, the TDDFT approach provides a more accurate description of both visible and ultraviolet regions of the UV-vis and magnetic circular dichroism (MCD) spectra of PcZn in comparison to the more popular semiempirical ZINDO/S and PM3 methods. It was found that the calculated vertical excitation energies of PcZn correlate with the amount of Hartree-Fock exchange involved in the exchange-correlation functional. The correlation was explained on the basis of the calculated difference in energy between occupied and unoccupied molecular orbitals. The influence of PcZn geometry, optimized using different exchange-correlation functionals, on the calculated vertical excitation energies in PcZn was found to be relatively small. The influence of solvents on the calculated vertical excitation energies in PcZn was considered for the first time using a polarized continuum model TDDFT (PCM-TDDFT) method and was found to be relatively small in excellent agreement with the experimental data. For all tested TDDFT and PCM-TDDFT cases, an assignment of the Q-band as an almost pure a1u (HOMO)-->eg (LUMO) transition, initially suggested by Gouterman, was confirmed. Pure exchange-correlation functionals indicate the presence of six 1Eu states in the B-band region of the UV-vis spectrum of PcZn, while hybrid exchange-correlation functionals predict only five 1Eu states for the same energy envelope. The first two symmetry-forbidden n-->pi* transitions were predicted in the Q0-2 region and in the low-energy tail of the B-band, while the first two symmetry-allowed n-->pi* transitions were found within the B-band energy envelope when pure exchange-correlation functionals were used for TDDFT calculations. The presence of a symmetry-forbidden but vibronically allowed n

High spin spectroscopy near the N=Z line: Channel selection and excitation energy systematics

Energy Technology Data Exchange (ETDEWEB)

Svensson, C.E.; Cameron, J.A.; Flibotte, S. [McMaster Univ., Ontario (Canada)] [and others

1996-12-31

The total {gamma}-ray and charged-particle energies emitted in fusion-evaporation reactions leading to N=Z compound systems in the A = 50-70 mass region have been measured with the 8{pi} {gamma}-ray spectrometer and the miniball charged-particle detector array. A new method of channel selection has been developed which combines particle identification with these total energy measurements and greatly improves upon the selectivity possible with particle detection alone. In addition, the event by event measurement of total {gamma}-ray energies using the BGO ball of the 8{pi} spectrometer has allowed a determination of excitation energies following particle evaporation for a large number of channels in several different reactions. The new channel selection procedure and excitation energy systematics are illustrated with data from the reaction of {sup 24}Mg on {sup 40}Ca at E{sub lab} = 80MeV.

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.

Low-lying excited states by constrained DFT

Science.gov (United States)

Ramos, Pablo; Pavanello, Michele

2018-04-01

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

Internuclear potentials from heavy ion fusion excitation functions

International Nuclear Information System (INIS)

Birkelund, J.R.; Huizenga, J.R.

1977-01-01

A discussion is given of the determination of internuclear potentials from heavy ion fusion excitation functions. It is found that this calculation is complicated by the difficulties involved in a calculation of the frictional energy loss and by the problem of measurement of excitation function with sufficient accuracy to closely define the barrier radius. Any quantitative comparisons made between the nuclear potential derived from fusion data and theoretical nuclear potentials depend upon the solutions of the above problems. 15 references

Modelled temperature-dependent excitability behaviour of a generalised human peripheral sensory nerve fibre.

Science.gov (United States)

Smit, Jacoba E; Hanekom, Tania; Hanekom, Johan J

2009-08-01

The objective of this study was to determine if a recently developed human Ranvier node model, which is based on a modified version of the Hodgkin-Huxley model, could predict the excitability behaviour in human peripheral sensory nerve fibres with diameters ranging from 5.0 to 15.0 microm. The Ranvier node model was extended to include a persistent sodium current and was incorporated into a generalised single cable nerve fibre model. Parameter temperature dependence was included. All calculations were performed in Matlab. Sensory nerve fibre excitability behaviour characteristics predicted by the new nerve fibre model at different temperatures and fibre diameters compared well with measured data. Absolute refractory periods deviated from measured data, while relative refractory periods were similar to measured data. Conduction velocities showed both fibre diameter and temperature dependence and were underestimated in fibres thinner than 12.5 microm. Calculated strength-duration time constants ranged from 128.5 to 183.0 micros at 37 degrees C over the studied nerve fibre diameter range, with chronaxie times about 30% shorter than strength-duration time constants. Chronaxie times exhibited temperature dependence, with values overestimated by a factor 5 at temperatures lower than body temperature. Possible explanations include the deviated absolute refractory period trend and inclusion of a nodal strangulation relationship.

Dependence of excitation frequency of resonant circuit on RF irradiation position of MRI equipment

International Nuclear Information System (INIS)

Shimizu, Masato; Yamada, Tsutomu; Takemura, Yasushi; Niwa, Touru; Inoue, Tomio

2010-01-01

Hyperthermia using implants is a cancer treatment in which cancer tissue is heated to over 42.5 deg C to selectively kill the cancer cells. In this study, a resonant circuit was used as an implant, and a weak magnetic field of radiofrequency (RF) pulses from a magnetic resonance imaging (MRI) device was used as an excitation source. We report here how the temperature of the resonant circuit was controlled by changing the excitation frequency of the MRI. As a result, the temperature rise of the resonant circuit was successfully found to depend on its position in the MRI device. This significant result indicates that the temperature of the resonant circuit can be controlled only by adjusting the excitation position. Accurate temperature control is therefore expected to be possible by combining this control technique with the temperature measurement function of MRI equipment. (author)

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…

Theoretical Study of the Relationships between Excited State Geometry Changes and Emission Energies of Oxyluciferin

Energy Technology Data Exchange (ETDEWEB)

Li, Zhong Wei; Min, Chun Gang; Ren, Ai Min; Feng, Ji Kang [Jilin University, Changchun (China); Guo, Jing Fu [Northeast Normal University, Jilin (China); Goddard, John D. [University of Guelph, Ontario (Canada); Zuo, Liang [North China Mineral and Geology Testing Center of CNNC, Tianjin (China)

2010-04-15

In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) and time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the excited substrate are important in determining the emission spectra. Analysis of these bonds suggests the mechanism whereby luciferases restrict more or less the excited substrate geometries and to produce multicolor bioluminescence.

Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

Science.gov (United States)

Wladyslawski, Mark; Nooijen, Marcel

The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit

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.

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

Experimental study on the kinetically induced electronic excitation in atomic collisional cascades

International Nuclear Information System (INIS)

Meyer, S.

2006-01-01

the present thesis deals with the ion-collision-induced electronic excitation of metallic solids. For this for the first time metal-insulator-metal layer systems are used for the detection of this electronic excitation. The here applied aluminium/aluminium oxide/silver layer sytems have barrier heights of 2.4 eV on the aluminium respectively 3.3 eV on the silver side. With the results it could uniquely be shown that the electronic excitation is generated by kinetic processes, this excitation dependenc on the kinetic energy of the colliding particles, and the excitation dependes on the charge state of the projectile

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

Excitation dependence of resonance line self-broadening at different atomic densities

OpenAIRE

Li, Hebin; Sautenkov, Vladimir A.; Rostovtsev, Yuri V.; Scully, Marlan O.

2009-01-01

We study the dipole-dipole spectral broadening of a resonance line at high atomic densities when the self-broadening dominates. The selective reflection spectrum of a weak probe beam from the interface of the cell window and rubidium vapor are recorded in the presence of a far-detuned pump beam. The excitation due to the pump reduces the self-broadening. We found that the self-broadening reduction dependence on the pump power is atomic density independent. These results provide experimental e...

Excitation Energies of Superdeformed States in 196Pb: Towards a Systematic Study of the Second Well in Pb Isotopes

International Nuclear Information System (INIS)

Wilson, A.N.; Singh, A.K.; Huebel, H.; Rossbach, D.; Schonwasser, G.; Davidson, P.M.; Dracoulis, G.D.; Lane, G.J.; Goergen, A.; Korichi, A.; Hannachi, F.; Lopez-Martens, A.; Astier, A.; Azaiez, F.; Bourgeois, C.; Bazzacco, D.; Kroell, T.; Rossi-Alvarez, C.; Buforn, N.; Redon, N.

2005-01-01

The excitation energy of the lowest-energy superdeformed band in 196 Pb is established using the techniques of time-correlated γ-ray spectroscopy. Together with previous measurements on 192 Pb and 194 Pb, this result allows superdeformed excitation energies, binding energies, and two-proton and two-neutron separation energies to be studied systematically, providing stringent tests for current nuclear models. The results are examined for evidence of a 'superdeformed shell gap'

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...

Soliton excitation in superlattice

International Nuclear Information System (INIS)

Mensah, S.Y.; Allotey, F.K.A.; Mensah, N.G.; Twum, A.K.

1995-10-01

Excitation of soliton in superlattice has been investigated theoretically. It is noted that the soliton velocity u and the length L depend on the amplitude E 0 and that an increase in the amplitude causes soliton width L to approach zero and the velocity u to that of light V in homogeneous medium. The characteristic parameters of soliton u, L and E 0 are related by expression u/L E 0 = ed/2(h/2π) which is constant depending only on the SL period d. It is observed also that the soliton has both energy E = 8V 2 (1 - u 2 /V 2 ) -1/2 and momentum P = u/V 2 E which makes it behave as relativistic free particle with rest energy 8V 2 . Its interaction with electrons can cause the soliton electric effect in SL. (author). 27 refs

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

Search for Excited Electrons at HERA

CERN Document Server

Adloff, C.; Andrieu, B.; Anthonis, T.; Astvatsatourov, A.; Babaev, A.; Bahr, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Baumgartner, S.; Becker, J.; Beckingham, M.; Beglarian, A.; Behnke, O.; Belousov, A.; Berger, C.; Berndt, T.; Bizot, J.C.; Bohme, J.; Boudry, V.; Braunschweig, W.; Brisson, V.; Broker, H.B.; Brown, D.P.; Bruncko, D.; Busser, F.W.; Bunyatyan, A.; Burrage, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Caron, S.; Cassol-Brunner, F.; Clarke, D.; Collard, C.; Contreras, J.G.; Coppens, Y.R.; Coughlan, J.A.; Cousinou, M.C.; Cox, B.E.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Dau, W.D.; Daum, K.; Davidsson, M.; Delcourt, B.; Delerue, N.; Demirchyan, R.; De Roeck, A.; De Wolf, E.A.; Diaconu, C.; Dingfelder, J.; Dixon, P.; Dodonov, V.; Dowell, J.D.; Droutskoi, A.; Dubak, A.; Duprel, C.; Eckerlin, Guenter; Eckstein, D.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellerbrock, M.; Elsen, E.; Erdmann, M.; Erdmann, W.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Ferencei, J.; Ferron, S.; Fleischer, M.; Fleischmann, P.; Fleming, Y.H.; Flugge, G.; Fomenko, A.; Foresti, I.; Formanek, J.; Franke, G.; Frising, G.; Gabathuler, E.; Gabathuler, K.; Garvey, J.; Gassner, J.; Gayler, Joerg; Gerhards, R.; Gerlich, C.; Ghazaryan, Samvel; Goerlich, L.; Gogitidze, N.; Grab, C.; Grabski, V.; Grassler, H.; Greenshaw, T.; Grindhammer, Guenter; Hadig, T.; Haidt, D.; Hajduk, L.; Haller, J.; Heinemann, B.; Heinzelmann, G.; Henderson, R.C.W.; Hengstmann, S.; Henschel, H.; Heremans, R.; Herrera, G.; Herynek, I.; Hildebrandt, M.; Hilgers, M.; Hiller, K.H.; Hladky, J.; Hoting, P.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Hurling, S.; Ibbotson, M.; Issever, C.; Jacquet, M.; Jaffre, M.; Janauschek, L.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, C.; Johnson, D.P.; Jones, M.A.S.; Jung, H.; Kant, D.; Kapichine, M.; Karlsson, M.; Karschnick, O.; Katzy, J.; Keil, F.; Keller, N.; Kennedy, J.; Kenyon, I.R.; Kiesling, Christian M.; Kjellberg, P.; Klein, M.; Kleinwort, C.; Kluge, T.; Knies, G.; Koblitz, B.; Kolya, S.D.; Korbel, V.; Kostka, P.; Kotelnikov, S.K.; Koutouev, R.; Koutov, A.; Kroseberg, J.; Kruger, K.; Kuhr, T.; Lamb, D.; Landon, M.P.J.; Lange, W.; Lastovicka, T.; Laycock, P.; Lebailly, E.; Lebedev, A.; Leissner, B.; Lemrani, R.; Lendermann, V.; Levonian, S.; List, B.; Lobodzinska, E.; Lobodzinski, B.; Loginov, A.; Loktionova, N.; Lubimov, V.; Luders, S.; Luke, D.; Lytkin, L.; Malden, N.; Malinovski, E.; Mangano, S.; Maracek, R.; Marage, P.; Marks, J.; Marshall, R.; Martyn, H.U.; Martyniak, J.; Maxfield, S.J.; Meer, D.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, J.; Michine, S.; Mikocki, S.; Milstead, D.; Mohrdieck, S.; Mondragon, M.N.; Moreau, F.; Morozov, A.; Morris, J.V.; Muller, K.; Murin, P.; Nagovizin, V.; Naroska, B.; Naumann, J.; Naumann, T.; Newman, Paul R.; Niebergall, F.; Niebuhr, C.; Nix, O.; Nowak, G.; Nozicka, M.; Olivier, B.; Olsson, J.E.; Ozerov, D.; Panassik, V.; Pascaud, C.; Patel, G.D.; Peez, M.; Perez, E.; Petrukhin, A.; Phillips, J.P.; Pitzl, D.; Poschl, R.; Potachnikova, I.; Povh, B.; Rauschenberger, J.; Reimer, P.; Reisert, B.; Risler, C.; Rizvi, E.; Robmann, P.; Roosen, R.; Rostovtsev, A.; Rusakov, S.; Rybicki, K.; Sankey, D.P.C.; Schatzel, S.; Scheins, J.; Schilling, F.P.; Schleper, P.; Schmidt, D.; Schmidt, S.; Schmitt, S.; Schneider, M.; Schoeffel, L.; Schoning, A.; Schorner, T.; Schroder, V.; Schultz-Coulon, H.C.; Schwanenberger, C.; Sedlak, K.; Sefkow, F.; Chekelian, V.; Sheviakov, I.; Shtarkov, L.N.; Sirois, Y.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, Arnd E.; Spitzer, H.; Stamen, R.; Stella, B.; Stiewe, J.; Strauch, I.; Straumann, U.; Tchetchelnitski, S.; Thompson, Graham; Thompson, P.D.; Tomasz, F.; Traynor, D.; Truoel, Peter; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Turney, J.E.; Tzamariudaki, E.; Uraev, A.; Urban, Marcel; Usik, A.; Valkar, S.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Vargas Trevino, A.; Vassiliev, S.; Vazdik, Y.; Veelken, C.; Vest, A.; Vichnevski, A.; Wacker, K.; Wagner, J.; Wallny, R.; Waugh, B.; Weber, G.; Wegener, D.; Werner, C.; Werner, N.; Wessels, M.; White, G.; Wiesand, S.; Wilksen, T.; Winde, M.; Winter, G.G.; Wissing, C.; Wobisch, M.; Woehrling, E.E.; Wunsch, E.; Wyatt, A.C.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhokin, A.; Zomer, F.; zur Nedden, M.

2002-01-01

A search for excited electron e* production is described in which the electroweak decays e*->e gamma, e*->e Z and e*->nu W are considered. The data used correspond to an integrated luminosity of 120 pb^(-1) taken in e^(+-)p collisions from 1994 to 2000 with the H1 detector at HERA at centre-of-mass energies of 300 and 318 GeV. No evidence for a signal is found. Mass dependent exclusion limits are derived for the ratio of the couplings to the compositeness scale, f/Lambda. These limits extend the excluded region to higher masses than has been possible in previous direct searches for excited electrons.

Energy India 'dependence

International Nuclear Information System (INIS)

Cygler, C.

2007-01-01

India has an economic growth between 8 to 10 % by year. To become a great country of the twenty first century and to stop poverty it is necessary to keep this growth but the growth of India is dependant of its ability to supply electric power necessary to increase the industrial production. The country has to multiply by four its energy production. The electric production comes from thermal power plants for 65%, 26% from hydroelectric power plants, 6% from renewable energy sources and 3% from nuclear energy. Between solar energy ( India has three hundred solar days by years) and nuclear energy using thorium that can be increased India has to choose an energy policy to answer its energy demand and independence need. (N.C.)

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.

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

Study of vacancy decays in the L-shell photoionization of barium in the excitation energy range of 5.6-30 keV: from L{sub 2} edge to energy high above the thresholds of double L-vacancy production

Energy Technology Data Exchange (ETDEWEB)

Zou, Y [Key Laboratory of Applied Ion Beam Physics (Chinese Educational Ministry), Fudan University, Shanghai 200433 (China); Oura, M [RIKEN Spring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Hutton, R [Lund Observatory, SE-221 00 Lund (Sweden); Yamaoka, H [RIKEN Spring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Takeshima, N [Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Takahiro, K [Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Kawatsura, K [Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Mukoyama, T [Kansai Gaidai University, 16-1 Nakamiyahigashino-cho, Hirakata, Osaka 573-1001 (Japan)

2006-11-28

Photoinduced Ba L x-rays were measured, in the excitation energy range of 5.6-30 keV, by using high-brilliance undulator radiation. The obtained intensity ratios, the excitation-energy independent L{beta}{sub 4}/L{beta}{sub 3}, L{eta}/L{beta}{sub 1}, L{iota}/L{alpha}{sub 1,2}, L{beta}{sub 6}/L{alpha}{sub 1,2} and L{beta}{sub 2,15}/L{alpha}{sub 1,2} as well as the excitation-energy dependent L{beta}{sub 1}/L{alpha}{sub 1,2}, L{beta}{sub 3}/L{alpha}{sub 1,2} and L{beta}{sub 3}/L{beta}{sub 1}, were compared with theoretical calculations, in which the calculations were performed by applying various subsets of the L subshell fluorescence yields and Coster-Kronig yields. Deviations of the theoretical calculations from the experimental results call on improvements in theory for the emission rates. We have also surveyed the L{alpha}{sub 1,2} related x-ray hypersatellite lines in the photoinduced Ba L x-ray spectrum.

Excitation-energy dependence of the resonant Auger transitions to the 4p4(1D)np (n=5,6) states across the 3d3/2-15p and 3d5/2-16p resonances in Kr

International Nuclear Information System (INIS)

Sankari, A.; Alitalo, S.; Nikkinen, J.; Kivimaeki, A.; Aksela, S.; Aksela, H.; Fritzsche, S.

2007-01-01

The energy dependencies of the intensities and angular distribution parameters β of the resonant Auger final states 4p 4 ( 1 D)np (n=5,6) of Kr were determined experimentally in the excitation-energy region of the overlapping 3d 3/2 -1 5p and 3d 5/2 -1 6p resonances. The experimental results were compared with the outcome of multiconfiguration Dirac-Fock calculations. Combining experimental and calculated results allowed us to study interference effects between the direct and several resonant channels that populate the 4p 4 ( 1 D)np states. The inclusion of the direct channel was crucial in order to reproduce the observed energy behavior of the angular distribution parameters. It was also important to take into account experimentally observed shake transitions

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.

Temperature- and excitation intensity-dependent photoluminescence in TlInSeS single crystals

CERN Document Server

Gasanly, N M; Yuksek, N S

2002-01-01

Photoluminescence (PL) spectra of TlInSeS layered single crystals were investigated in the wavelength region 460-800 nm and in the temperature range 10-65 K. We observed one wide PL band centred at 584 nm (2.122 eV) at T=10 K and an excitation intensity of 7.5 W cm sup - sup 2. We have also studied the variation of the PL intensity versus excitation laser intensity in the range from 0.023 to 7.5 W cm sup - sup 2. The red shift of this band with increasing temperature and blue shift with increasing laser excitation intensity was observed. The PL was found to be due to radiative transitions from the moderately deep donor level located at 0.243 eV below the bottom of the conduction band to the shallow acceptor level at 0.023 eV located above the top of the valence band. The proposed energy-level diagram permits us to interpret the recombination processes in TlInSeS layered single crystals.

Temperature- and excitation intensity-dependent photoluminescence in TlInSeS single crystals

International Nuclear Information System (INIS)

Gasanly, N M; Aydinli, A; Yuksek, N S

2002-01-01

Photoluminescence (PL) spectra of TlInSeS layered single crystals were investigated in the wavelength region 460-800 nm and in the temperature range 10-65 K. We observed one wide PL band centred at 584 nm (2.122 eV) at T=10 K and an excitation intensity of 7.5 W cm -2 . We have also studied the variation of the PL intensity versus excitation laser intensity in the range from 0.023 to 7.5 W cm -2 . The red shift of this band with increasing temperature and blue shift with increasing laser excitation intensity was observed. The PL was found to be due to radiative transitions from the moderately deep donor level located at 0.243 eV below the bottom of the conduction band to the shallow acceptor level at 0.023 eV located above the top of the valence band. The proposed energy-level diagram permits us to interpret the recombination processes in TlInSeS layered single crystals

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.)

Electron-impact excitation-autoionization in the cadmium isoelectronic sequence: A case of target term dependence in scattering theory

International Nuclear Information System (INIS)

Pindzola, M.S.; Griffin, D.C.; Bottcher, C.

1983-01-01

Excitation-autoionization contributions to electron-impact ionization are calculated for several atomic ions in the cadmium isoelectronic sequence. We calculate excitation cross sections in the distorted-wave approximation and compare them in one case to a calculation in the close-coupling approximation. We focus attention on the 4d 10 5s 2 →4d 9 5s 2 nf inner-shell excitations in In + , Sb 3+ , and Xe 6+ . Hartree-Fock atomic structure calculations for the 4d 9 5s 2 nf configurations are found to be highly term dependent. Thus our predictions for the total ionization cross section from the 5s subshell for these ions exhibit strong target term dependence. Our Xe 6+ results are found to be in excellent agreement with the recent experimental crossed-beam measurements of Gregory and Crandall

Charge Dependence and Electric Quadrupole Effects on Single-Nucleon Removal in Relativistic and Intermediate Energy Nuclear Collisions

Science.gov (United States)

Norbury, John W.

1992-01-01

Single nucleon removal in relativistic and intermediate energy nucleus-nucleus collisions is studied using a generalization of Weizsacker-Williams theory that treats each electromagnetic multipole separately. Calculations are presented for electric dipole and quadrupole excitations and incorporate a realistic minimum impact parameter, Coulomb recoil corrections, and the uncertainties in the input photonuclear data. Discrepancies are discussed. The maximum quadrupole effect to be observed in future experiments is estimated and also an analysis of the charge dependence of the electromagnetic cross sections down to energies as low as 100 MeV/nucleon is made.

Electron-phonon relaxation and excited electron distribution in gallium nitride

Energy Technology Data Exchange (ETDEWEB)

Zhukov, V. P. [Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Pervomayskaya st. 91, Yekaterinburg (Russian Federation); Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Tyuterev, V. G., E-mail: valtyut00@mail.ru [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Tomsk State Pedagogical University, Kievskaya st. 60, Tomsk (Russian Federation); Tomsk State University, Lenin st. 36, Tomsk (Russian Federation); Chulkov, E. V. [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Tomsk State University, Lenin st. 36, Tomsk (Russian Federation); Departamento de Fisica de Materiales, Facultad de Ciencias Qumicas, UPV/EHU and Centro de Fisica de Materiales CFM-MPC and Centro Mixto CSIC-UPV/EHU, Apdo. 1072, 20080 San Sebastian (Spain); Echenique, P. M. [Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Qumicas, UPV/EHU and Centro de Fisica de Materiales CFM-MPC and Centro Mixto CSIC-UPV/EHU, Apdo. 1072, 20080 San Sebastian (Spain)

2016-08-28

We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates of inter-band recombination, and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy “tail” largely covers the conduction band. The shape of the high-energy “tail” strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in an irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of the electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi “tail” is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can essentially affect the charge transport in the irradiated and highly doped semiconductors.

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

Excitation density dependence of the photoluminescence from CdxHg1-xTe multiple quantum wells

International Nuclear Information System (INIS)

Tonheim, C R; Selvig, E; Nicolas, S; Breivik, M; Haakenaasen, R; Gunnaes, A E

2008-01-01

A study of the photoluminescence from a four-period Cd x Hg 1-x Te multiple quantum well structure at 11 K as a function of excitation density is presented. High-resolution X-ray diffraction and transmission electron microscopy revealed that the quantum well structure is of high quality. This was supported by the narrow photoluminescence peak originating in the ground state electron - heavy hole transition, with a full width at half maximum of only 7.4 meV for an excitation density of 1.3 W/cm 2 . When the excitation density was increased from 1.3 to 23.4 W/cm 2 , the peak position was shifted toward higher energy by 2.6 meV and the full width at half maximum increased from 7.4 to 10.9 meV

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

Benchmarking the stochastic time-dependent variational approach for excitation dynamics in molecular aggregates

Energy Technology Data Exchange (ETDEWEB)

Chorošajev, Vladimir [Department of Theoretical Physics, Faculty of Physics, Vilnius University, Sauletekio 9-III, 10222 Vilnius (Lithuania); Gelzinis, Andrius; Valkunas, Leonas [Department of Theoretical Physics, Faculty of Physics, Vilnius University, Sauletekio 9-III, 10222 Vilnius (Lithuania); Department of Molecular Compound Physics, Center for Physical Sciences and Technology, Sauletekio 3, 10222 Vilnius (Lithuania); Abramavicius, Darius, E-mail: darius.abramavicius@ff.vu.lt [Department of Theoretical Physics, Faculty of Physics, Vilnius University, Sauletekio 9-III, 10222 Vilnius (Lithuania)

2016-12-20

Highlights: • The Davydov ansatze can be used for finite temperature simulations with an extension. • The accuracy is high if the system is strongly coupled to the environmental phonons. • The approach can simulate time-resolved fluorescence spectra. - Abstract: Time dependent variational approach is a convenient method to characterize the excitation dynamics in molecular aggregates for different strengths of system-bath interaction a, which does not require any additional perturbative schemes. Until recently, however, this method was only applicable in zero temperature case. It has become possible to extend this method for finite temperatures with the introduction of stochastic time dependent variational approach. Here we present a comparison between this approach and the exact hierarchical equations of motion approach for describing excitation dynamics in a broad range of temperatures. We calculate electronic population evolution, absorption and auxiliary time resolved fluorescence spectra in different regimes and find that the stochastic approach shows excellent agreement with the exact approach when the system-bath coupling is sufficiently large and temperatures are high. The differences between the two methods are larger, when temperatures are lower or the system-bath coupling is small.

Enhancement of the water flow velocity through carbon nanotubes resulting from the radius dependence of the friction due to electron excitations

Science.gov (United States)

Sokoloff, J. B.

2018-03-01

Secchi et al. [Nature (London) 537, 210 (2016), 10.1038/nature19315] observed a large enhancement of the permeability and slip length in carbon nanotubes when the tube radius is of the order of 15 nm, but not in boron nitride nanotubes. It will be pointed out that none of the parameters that appear in the usual molecular dynamics treatments of water flow in carbon nanotubes have a length scale comparable to 15 nm, which could account for the observed flow velocity enhancement. It will be demonstrated here, however, that if the friction force between the water and the tube walls in carbon nanotubes is dominated by friction due to electron excitations in the tube walls, the enhanced flow can be accounted for by a reduction in the contribution to the friction due to electron excitations in the wall, resulting from the dependence of the electron energy band gap on the tube radius.

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

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2016-06-14

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

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.)

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

Science.gov (United States)

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

2009-02-01

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

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

International Nuclear Information System (INIS)

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

2009-01-01

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

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.

Towards a unified description of light ion fusion cross section excitation functions

International Nuclear Information System (INIS)

Zimmer, K.W.

1995-01-01

A description of light heavy-ion fusion, taking into account both entrance-channel characteristics and compound-nucleus properties, is derived within a unified theory of nuclear reactions. The dependence of the imaginary fusion potential on the level density of the compound nucleus is revealed. The 12 C + 12 C, 12 C + 14 N, 10 B + 16 O and 16 O + 16 O fusion cross sections are calculated for E cm ≤ 120 MeV and compared with experimental data. The excitation energy dependence of the level-density parameter of 24 Mg, 26 Al and 32 S is inferred below 5 MeV/A. A realistic nuclear level-density model, describing the experimental level-density parameters of highly excited nuclei, is shown to be consistent with both the global features and details of the fusion cross section. 12 C + 12 C and 16 O + 16 O fusion cross section oscillations are predicted at large excitation energies, reflecting the structure of the level density of the highly excited light compound nuclei. Differences of the 12 C + 14 N and 10 B + 16 O fusion reaction mechanisms are discussed in terms of specific entrance-channel characteristics. (orig.)

Towards a unified description of light ion fusion cross section excitation functions

International Nuclear Information System (INIS)

Zimmer, K.W.; Rebel, H.

1994-10-01

A description of light heavy-ion fusion, taking into account both entrace-channel characteristics and compound-nucleus properties, is derived within a unified theory of nuclear reactions. The dependence of the imaginary fusion potential on the level density of the compound nucleus is revealed. The 12 C+ 12 C, 12 C+ 14 N, 10 B+ 16 O and 16 O+ 16 O fusion cross sections are calculated for E cm ≤120 MeV and compared with experimental data. The excitation energy dependence of the level-density parameter of 24 Mg, 26 Al and 32 S is inferred below 5 MeV/A. A realistic nuclear level-density model, describing the experimental level-density parameters of highly excited nuclei, is shown to be consistent with both the global features and details of the fusion cross section. 12 C+ 12 C and 16 O+ 16 O fusion cross section oscillations are predicted at large excitation energies, reflecting the structure of the level density of the highly excited light compound nuclei. Differences of the 12 C+ 14 N and 10 B+ 16 O fusion reaction mechanisms are discussed in terms of specific entrance-channel characteristics. (orig.)

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.)

US oil dependency and energy security

International Nuclear Information System (INIS)

Noel, P.

2002-01-01

The three papers of this document were written in the framework of a seminar organized the 30 may 2002 by the IFRI in the framework of its program Energy and Climatic Change. The first presentation deals with the american oil policy since 1980 (relation between the oil dependence and the energy security, the Reagan oil policy, the new oil policy facing the increase of the dependence). The second one deals with the US energy security (oil security, domestic energy security, policy implications). The last presentation is devoted to the US oil dependence in a global context and the problems and policies of international energy security. (A.L.B.)

Electron collisions and internal excitation in stored molecular ion beams

International Nuclear Information System (INIS)

Buhr, H.

2006-01-01

In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He + 2 . The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He + 2 , which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD + is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

Electron collisions and internal excitation in stored molecular ion beams

Energy Technology Data Exchange (ETDEWEB)

Buhr, H.

2006-07-26

In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He{sup +}{sub 2}. The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He{sup +}{sub 2}, which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD{sup +} is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (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)

Occupation number dependence of molecular energy levels

International Nuclear Information System (INIS)

Giambiagi, M.S. de; Giambiagi, M.; Ferreira, R.

1977-08-01

The Roothaan expression for the energy of a closed-shell molecular system is generalized in order to apply to open shells. A continuous variation from 0 to 2 is supposed for each level's occupation number, extending to this range tbe correction due to the spurious repulsion appearing in the half-electron method. The characteristic equations of the Xα method are applied to the energy expressions. The one level case is discussed in detail. Ionic and excited states of the 1,3 transbutadiene π system are analyzed

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

Orientation-dependent imaging of electronically excited quantum dots

Science.gov (United States)

Nguyen, Duc; Goings, Joshua J.; Nguyen, Huy A.; Lyding, Joseph; Li, Xiaosong; Gruebele, Martin

2018-02-01

We previously demonstrated that we can image electronic excitations of quantum dots by single-molecule absorption scanning tunneling microscopy (SMA-STM). With this technique, a modulated laser beam periodically saturates an electronic transition of a single nanoparticle, and the resulting tunneling current modulation ΔI(x0, y0) maps out the SMA-STM image. In this paper, we first derive the basic theory to calculate ΔI(x0, y0) in the one-electron approximation. For near-resonant tunneling through an empty orbital "i" of the nanostructure, the SMA-STM signal is approximately proportional to the electron density |φi) (x0,y0)|nudge quantum dots on the surface and roll them, thus imaging excited state electronic structure of a single quantum dot at different orientations. We use density functional theory to model ODMs at various orientations, for qualitative comparison with the SMA-STM experiment. The model demonstrates that our experimentally observed signal monitors excited states, localized by defects near the surface of an individual quantum dot. The sub-nanometer super-resolution imaging technique demonstrated here could become useful for mapping out the three-dimensional structure of excited states localized by defects within nanomaterials.

Potential energy surface from spectroscopic data in the photodissociation of polyatomic molecules

International Nuclear Information System (INIS)

Kim, Hwa Joong; Kim, Young Sik

2001-01-01

The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO 2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-dependent inversion method and discussed several extensions of the algorithm

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

Science.gov (United States)

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

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.

Laser-excited fluorescence spectroscopy of oxide glasses

International Nuclear Information System (INIS)

Weber, M.J.

1977-01-01

Laser-induced fluorescence line narrowing was applied to investigate the local fields and interactions of paramagnetic ions in oxide glasses. Studies included the site dependence of energy levels, radiative and nonradiative transition probabilities, homogeneous line broadening, and ion--ion energy transfer of rare earth ions. These results and the experimental techniques are reviewed briefly; the use of paramagnetic ions other than the rare earths is also considered. Recently, laser-excited fluorescence spectroscopy was used to investigate modifications in the local structure of lithium borate glass caused by compositional changes and phase separation and the site dependence of nonradiative relaxation of paramagnetic ions by multiphonon processes. These results and their implications are discussed. 6 figures

Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces

International Nuclear Information System (INIS)

Barbatti, M.; Paier, J.; Lischka, H.

2004-01-01

Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of reference spaces for the MR-CISD calculations have been investigated. The crossing seam between the S 0 and S 1 states has been explored in detail. This seam connects all conical intersections presently known for ethylene. Major emphasis has been laid on the hydrogen-migration path. Starting in the V state of twisted-orthogonal ethylene, a barrierless path to ethylidene was found. The feasibility of ethylidene formation will be important for the explanation of the relative yield of cis and trans H 2 elimination

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

Resonant inelastic X-ray spectroscopy of atoms and simple molecules: Satellite features and dependence on energy detuning and photon polarization

Energy Technology Data Exchange (ETDEWEB)

Žitnik, M., E-mail: matjaz.zitnik@ijs.si [Jožef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana (Slovenia); University of Ljubljana, Faculty of Mathematics and Physics, Jadranska 21, SI-1000 Ljubljana (Slovenia); Kavčič, M.; Bohinc, R.; Bučar, K.; Mihelič, A. [Jožef Stefan Institute, P.O. Box 3000, SI-1001 Ljubljana (Slovenia); Cao, W. [Research Centre for Molecular Materials, University of Oulu, P.O. Box 3000, FIN-90014 Oulu (Finland); Guillemin, R.; Journel, L.; Marchenko, T.; Carniato, S.; Kawerk, E. [Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris (France); CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris (France); Piancastelli, M.N. [Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris (France); CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris (France); Department of Physics and Astronomy, Uppsala University, P.O. Box 516, 75120 Uppsala (Sweden); Simon, M. [Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris (France); CNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005 Paris (France)

2015-10-15

We summarize recent results dealing with high resolution (resonant) X-ray spectroscopy of atomic and molecular targets in the tender X-ray energy region. We comment on advantages, new possibilities and problems related to RIXS spectroscopy with respect to the standard photoabsorption technique, where scanning the probe energy is the only option. In particular, three research areas are covered: X-ray emission mediated by energy dependent photoabsorption to multi-electron excited states, the Cl K core-hole clock studies exemplified by systematic study of chloro(fluoro)-hydrocarbon targets and the polarization dependent X-ray emission studies. Due to its spectral selectivity and simultaneous detection capability, high resolution wavelength dispersive X-ray spectroscopy has the capability to resolve structural and dynamical properties of matter within new instrumentation frontiers.

Resonant inelastic X-ray spectroscopy of atoms and simple molecules: Satellite features and dependence on energy detuning and photon polarization

International Nuclear Information System (INIS)

Žitnik, M.; Kavčič, M.; Bohinc, R.; Bučar, K.; Mihelič, A.; Cao, W.; Guillemin, R.; Journel, L.; Marchenko, T.; Carniato, S.; Kawerk, E.; Piancastelli, M.N.; Simon, M.

2015-01-01

We summarize recent results dealing with high resolution (resonant) X-ray spectroscopy of atomic and molecular targets in the tender X-ray energy region. We comment on advantages, new possibilities and problems related to RIXS spectroscopy with respect to the standard photoabsorption technique, where scanning the probe energy is the only option. In particular, three research areas are covered: X-ray emission mediated by energy dependent photoabsorption to multi-electron excited states, the Cl K core-hole clock studies exemplified by systematic study of chloro(fluoro)-hydrocarbon targets and the polarization dependent X-ray emission studies. Due to its spectral selectivity and simultaneous detection capability, high resolution wavelength dispersive X-ray spectroscopy has the capability to resolve structural and dynamical properties of matter within new instrumentation frontiers.

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.

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.

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

International Nuclear Information System (INIS)

Jolos, R.V.; Schmidt, R.

1982-01-01

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

Rotational distributions of molecular photoions following resonant excitation

International Nuclear Information System (INIS)

Poliakoff, E.D.; Chan, J.C.K.; White, M.G.

1986-01-01

We demonstrate that the photoelectron energy mediates the rotational energy distribution of N + 2 ions created by photoionization, and conversely, that rotational energy determinations probe resonant excitation in molecular photoionization. Experimentally, this is accomplished by monitoring the dispersed fluorescence from N + 2 (B 2 Σ + /sub u/) photoions to determine their rotational energy distribution. These results demonstrate that while dipole selection rules constrain the total angular momentum of the electron--ion complex, the partitioning of angular momentum between the photoelectron and photoion depends on the photoejection dynamics. Implications for photoionization and electron impact ionizatin studies are discussed

The levels of the first excited configuration of one-electron ions in intensive alternating field

International Nuclear Information System (INIS)

Klimchitskaya, G.L.

1984-01-01

The relativistic generalization of the quasi-energy method is applied for the calculation of the influence of spatjally-homogeneous electric field with the periodic time dependence on the energy levels of the first excited configuration of one-electron multiply charged ions. The dependence is found of the corresponding quasi-energy levels on the amplitude and frequency of intensive external field which wholly mixes the levels of fine structure

A Neutron Scattering Study of Collective Excitations in Superfluid Helium

DEFF Research Database (Denmark)

Graf, E. H.; Minkiewicz, V. J.; Bjerrum Møller, Hans

1974-01-01

Extensive inelastic-neutron-scattering experiments have been performed on superfluid helium over a wide range of energy and momentum transfers. A high-resolution study has been made of the pressure dependence of the single-excitation scattering at the first maximum of the dispersion curve over...... of the multiexcitation scattering was also studied. It is shown that the multiphonon spectrum of a simple Debye solid with the phonon dispersion and single-excitation cross section of superfluid helium qualitatively reproduces these data....

Absolute carrier phase effects in the two-color excitation of dipolar molecules

International Nuclear Information System (INIS)

Brown, Alex; Meath, W.J.; Kondo, A.E.

2002-01-01

The pump-probe excitation of a two-level dipolar (d≠0) molecule, where the pump frequency is tuned to the energy level separation while the probe frequency is extremely small, is examined theoretically as an example of absolute phase control of excitation processes. The state populations depend on the probe field's absolute carrier phase but are independent of the pump field's absolute carrier phase. Interestingly, the absolute phase effects occur for pulse durations much longer and field intensities much weaker than those required to see such effects in single pulse excitation

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

International Nuclear Information System (INIS)

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

1985-01-01

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

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.

Parity dependence of the nuclear level density at high excitation

International Nuclear Information System (INIS)

Rao, B.V.; Agrawal, H.M.

1995-01-01

The basic underlying assumption ρ(l+1, J)=ρ(l, J) in the level density function ρ(U, J, π) has been checked on the basis of high quality data available on individual resonance parameters (E 0 , Γ n , J π ) for s- and p-wave neutrons in contrast to the earlier analysis where information about p-wave resonance parameters was meagre. The missing level estimator based on the partial integration over a Porter-Thomas distribution of neutron reduced widths and the Dyson-Mehta Δ 3 statistic for the level spacing have been used to ascertain that the s- and p-wave resonance level spacings D(0) and D(1) are not in error because of spurious and missing levels. The present work does not validate the tacit assumption ρ(l+1, J)=ρ(l, J) and confirms that the level density depends upon parity at high excitation. The possible implications of the parity dependence of the level density on the results of statistical model calculations of nuclear reaction cross sections as well as on pre-compound emission have been emphasized. (orig.)

Mass- and energy-dependence of (π+,π-) double isobaric analog transitions at low energies

International Nuclear Information System (INIS)

Anderl, T.

1988-01-01

Transitions to double isobaric analog states (DIAT) have been measured in the double charge exchange (DCX) reaction (π + ,π - ) for the nuclei 26 Mg, 56 Fe at Tsub(π+) = 49 MeV and for 18 O at Tsub(π+) = 24 MeV, 33 MeV, 49 MeV, 64 MeV and 79 MeV for several angles. The experiments have been performed at the pion channels M13 and M11 of TRIUMF using the low energy pion spectrometer QQD. The forward angle cross sections for 18 O can be understood in a quark model as well as in conventional models where the reaction is mainly proceeding through intermediate deltas or low lying excited states of the intermediate nucleus. The angular distribution of 26 Mg at 49 MeV is found to be almost identical to those of 14 C and 18 O while the cross section remarkedly drops for 56 Fe. The forward angle excitation function of 18 O exhibits a maximum at around 35 MeV. The present results are compared to theoretical predictions. Two approaches for a unified study of SCX and DCX at energies ranging from 20 MeV up to 300 MeV are presented. The first is carried out in a mean free path model for investigations of geometry effects in the reaction. For the second, the optical model code PIESDEX is employed. Both studies indicate that the observed mass dependence for DCX at 50 MeV can be explained partly by geometry considerations and partly by details in the nuclear matter distributions of core neutrons and valence neutrons. Furthermore, the optical model investigation reveals the need of shifting the free πN-SCX amplitude down by 30 MeV in order to achieve good agreement with experimental data. (orig.)

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)

a simple a simple excitation control excitation control excitation

African Journals Online (AJOL)

eobe

field voltages determined follow a simple quadratic relationship that offer a very simple control scheme, dependent on only the stator current. Keywords: saturated reactances, no-load field voltage, excitation control, synchronous generators. 1. Introduction. Introduction. Introduction. The commonest generator in use today is ...

Development of the system for excitation function automatic measurement of nuclear reactions

International Nuclear Information System (INIS)

Sapozhnikov, A.B.

2004-01-01

Full text: The resonance nuclear reaction method is applied at the tandem accelerator UKP-2-1 to determinate films thickness and obtain light element depth distribution. The system for automatic measurement of the nuclear reaction excitation curve has been developed. It allowed to obtain an excitation function of nuclear reaction using continuous changing potential of the target with energy step of 6 eV. Saw-tooth voltage with amplitude up to 6 kV from the block of scanning beam is fed to a target. The amplitude is determined by constant voltage from the scanning beam block control. Nal(Tl) detector detects gamma quanta - the products of a nuclear reaction and transforms they in voltage impulses. The impulses through the amplifier income in the single-channel analyzer which forms impulses to start the analog-to-digital converter. The value of saw-tooth voltage corresponding to the moment of gamma quantum detection is read by the analog-to-digital converter, where it is transformed to digital code and transmitted to the computer. The computer program has been developed to control the process of accumulation of excitation function. The dependence a detected γ-quanta yield from a target potential is automatically plotted by the program. This dependence corresponds to the nuclear reaction excitation function. If scanning amplitude is not enough in order to scan need depth of a sample, an operator increases energy of the proton beam changing high voltage potential of the terminal up 3 keV and measures the nuclear reaction excitation function with the new energy. This procedure can be repeated some times. After that 'sewing' of excitation functions is carried out by the program under the hypothesis that nuclear reaction yield in last points be identical

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

International Nuclear Information System (INIS)

Heather, R.; Metiu, H.

1989-01-01

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

Line shape of magnetic excitations in singlet-ground-state systems

International Nuclear Information System (INIS)

Bak, P.

1976-08-01

The excitation spectrum in a paramagnetic singlet doublet system is calculated using a diagrammatic expansion technique, and the theoretical predictions are compared with experiments on praseodymium. The theory gives an accurate description of the dramatic temperature dependence of the energies and lineshapes for the exciton modes

Interplay of spin-dependent delocalization and magnetic anisotropy in the ground and excited states of [Gd2@C78]- and [Gd2@C80]-

Science.gov (United States)

Mansikkamäki, Akseli; Popov, Alexey A.; Deng, Qingming; Iwahara, Naoya; Chibotaru, Liviu F.

2017-09-01

The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd2@C78]- (1) and [Gd2@C80]- (2), have been studied by theoretical methods. The systems can be considered as [Gd2]5+ dimers encapsulated in a fullerene cage with the fifteen unpaired electrons ferromagnetically coupled into an S = 15/2 high-spin configuration in the ground state. The microscopic mechanisms governing the Gd-Gd interactions leading to the ferromagnetic ground state are examined by a combination of density functional and ab initio calculations and the full energy spectrum of the ground and lowest excited states is constructed by means of ab initio model Hamiltonians. The ground state is characterized by strong electron delocalization bordering on a σ type one-electron covalent bond and minor zero-field splitting (ZFS) that is successfully described as a second order spin-orbit coupling effect. We have shown that the observed ferromagnetic interaction originates from Hund's rule coupling and not from the conventional double exchange mechanism. The calculated ZFS parameters of 1 and 2 in their optimized geometries are in qualitative agreement with experimental EPR results. The higher excited states display less electron delocalization, but at the same time they possess unquenched first-order angular momentum. This leads to strong spin-orbit coupling and highly anisotropic energy spectrum. The analysis of the excited states presented here constitutes the first detailed study of the effects of spin-dependent delocalization in the presence of first order orbital angular momentum and the obtained results can be applied to other mixed valence lanthanide systems.

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.

Dependence of the K x-ray energy on the mode of excitation

International Nuclear Information System (INIS)

Wang, K.C.; Boehm, F.; Hahn, A.A.; Vogel, P.

1977-01-01

The energy shifts in the Ta K x rays resulting from the K-capture of 181 W, fluorescence of Ta, and β - decay of 181 Hf followed by internal conversion in 181 Ta are reported. Both W metal and WO 3 on one hand, and Ta metal and Ta 2 O 5 on the other hand, were used. Comparison of the K x-ray energies of the K-capture sources 153 Gd (Eu x rays) and 175 Hf (Lu x rays) and the corresponding fluorescence sources was also made. Various effects which may influence the K x-ray energies are discussed. 9 references

Statistical density of nuclear excited states

Directory of Open Access Journals (Sweden)

V. M. Kolomietz

2015-10-01

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

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.

Absence of phase-dependent noise in time-domain reflectivity studies of impulsively excited phonons

KAUST Repository

Hussain, A.

2010-06-17

There have been several reports of phase-dependent noise in time-domain reflectivity studies of optical phonons excited by femtosecond laser pulses in semiconductors, semimetals, and superconductors. It was suggested that such behavior is associated with the creation of squeezed phonon states although there is no theoretical model that directly supports such a proposal. We have experimentally re-examined the studies of phonons in bismuth and gallium arsenide, and find no evidence of any phase-dependent noise signature associated with the phonons. We place an upper limit on any such noise at least 40–50 dB lower than previously reported.

Absence of phase-dependent noise in time-domain reflectivity studies of impulsively excited phonons

KAUST Repository

Hussain, A.; Andrews, S. R.

2010-01-01

There have been several reports of phase-dependent noise in time-domain reflectivity studies of optical phonons excited by femtosecond laser pulses in semiconductors, semimetals, and superconductors. It was suggested that such behavior is associated with the creation of squeezed phonon states although there is no theoretical model that directly supports such a proposal. We have experimentally re-examined the studies of phonons in bismuth and gallium arsenide, and find no evidence of any phase-dependent noise signature associated with the phonons. We place an upper limit on any such noise at least 40–50 dB lower than previously reported.

Power Management of Islanded Self-Excited Induction Generator Reinforced by Energy Storage Systems

Directory of Open Access Journals (Sweden)

Nachat N. Nasser

2018-02-01

Full Text Available Self-Excited Induction Generators (SEIGs, e.g., Small-Scale Embedded wind generation, are increasingly used in electricity distribution networks. The operational stability of stand-alone SEIG is constrained by the local load conditions: stability can be achieved by maintaining the load’s active and reactive power at optimal values. Changes in power demand are dependent on customers’ requirements, and any deviation from the pre-calculated optimum setting will affect a machine’s operating voltage and frequency. This paper presents an investigation of the operation of the SEIG in islanding mode of operation under different load conditions, with the aid of batteries as an energy storage source. In this research a current-controlled voltage-source converter is proposed to regulate the power exchange between a direct current (DC energy storage source and an alternating current (AC grid, the converter’s controller is driven by any variation between machine capability and load demand. In order to prolong the system stability when the battery reaches its operation constraints, it is recommended that an ancillary generator and a dummy local load be embedded in the system. The results show the robustness and operability of the proposed system in the islanding mode of the SEIG under different load conditions.

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.

Rotational excitation of N2 by electron impact: 1-4 eV

International Nuclear Information System (INIS)

Wong, S.F.; Dube, L.

1978-01-01

Rotational and rotational-vibrational (v = 0 → 1) excitation in N 2 have been studied with a crossed-beam electron-impact apparatus. In the energy range 1-4 eV, the elastic and vibrational energy-loss peaks show large rotational broadening compared with the apparatus profile (full width at half-maximum, 18 meV). The branching ratios for rotational transitions with Δj = 0, +- 2, +- 4 are obtained with a line-shape analysis applied to the energy-loss profiles. The results for rotational-vibrational excitation at 2.27 eV and scattering angles 30-90 0 are in good agreement with the calculations using the resonant dπ waves and the rotational impulse approximation. The corresponding results for pure rotational excitation show that the branches with Δj = +- 2 and +- 4 are predominantly excited via resonances, while the branch with Δj = 0 contains a large contribution from direct scattering. The absolute rotational cross sections for Δj = +- 4 are measured; they exhibit a large magnitude (10 -16 cm 2 ) and peak and valley structures in the 1-4 eV range, reminiscent of well-known resonant vibrational excitation. The energy dependence and the absolute magnitude of the rotational cross sections for Δj = +- 4 can be understood in terms of a ''boomerang'' calculation. A comparison of the experiment with the relevant theoretical calculations is made

Spin-Orbital Excitations in Ca_{2}RuO_{4} Revealed by Resonant Inelastic X-Ray Scattering

Directory of Open Access Journals (Sweden)

L. Das

2018-03-01

Full Text Available The strongly correlated insulator Ca_{2}RuO_{4} is considered as a paradigmatic realization of both spin-orbital physics and a band-Mott insulating phase, characterized by orbitally selective coexistence of a band and a Mott gap. We present a high resolution oxygen K-edge resonant inelastic x-ray scattering study of the antiferromagnetic Mott insulating state of Ca_{2}RuO_{4}. A set of low-energy (about 80 and 400 meV and high-energy (about 1.3 and 2.2 eV excitations are reported, which show strong incident light polarization dependence. Our results strongly support a spin-orbit coupled band-Mott scenario and explore in detail the nature of its exotic excitations. Guided by theoretical modeling, we interpret the low-energy excitations as a result of composite spin-orbital excitations. Their nature unveils the intricate interplay of crystal-field splitting and spin-orbit coupling in the band-Mott scenario. The high-energy excitations correspond to intra-atomic singlet-triplet transitions at an energy scale set by Hund’s coupling. Our findings give a unifying picture of the spin and orbital excitations in the band-Mott insulator Ca_{2}RuO_{4}.

Energy risk management through self-exciting marked point process

International Nuclear Information System (INIS)

Herrera, Rodrigo

2013-01-01

Crude oil is a dynamically traded commodity that affects many economies. We propose a collection of marked self-exciting point processes with dependent arrival rates for extreme events in oil markets and related risk measures. The models treat the time among extreme events in oil markets as a stochastic process. The main advantage of this approach is its capability to capture the short, medium and long-term behavior of extremes without involving an arbitrary stochastic volatility model or a prefiltration of the data, as is common in extreme value theory applications. We make use of the proposed model in order to obtain an improved estimate for the Value at Risk in oil markets. Empirical findings suggest that the reliability and stability of Value at Risk estimates improve as a result of finer modeling approach. This is supported by an empirical application in the representative West Texas Intermediate (WTI) and Brent crude oil markets. - Highlights: • We propose marked self-exciting point processes for extreme events in oil markets. • This approach captures the short and long-term behavior of extremes. • We improve the estimates for the VaR in the WTI and Brent crude oil markets

Systematic observation of tunneling field-ionization in highly excited Rb Rydberg atoms

International Nuclear Information System (INIS)

Kishimoto, Y.; Tada, M.; Kominato, K.; Shibata, M.; Yamada, S.; Haseyama, T.; Ogawa, I.; Funahashi, H.; Yamamoto, K.; Matsuki, S.

2002-01-01

Pulsed field ionization of high-n (90≤n≤150) manifold states in Rb Rydberg atoms has been investigated in high slew-rate regime. Two peaks in the field ionization spectra were systematically observed for the investigated n region, where the field values at the lower peak do not almost depend on the excitation energy in the manifold, while those at the higher peak increase with increasing excitation energy. The fraction of the higher peak component to the total ionization signals increases with increasing n, exceeding 80% at n=147. Characteristic behavior of the peak component and the comparison with theoretical predictions indicate that the higher peak component is due to the tunneling process. The obtained results show that the tunneling process plays increasingly the dominant role at such highly excited nonhydrogenic Rydberg atoms

Dependence of Energetic Electron Precipitation on the Geomagnetic Index Kp and Electron Energy

Directory of Open Access Journals (Sweden)

Mi-Young Park

2013-12-01

Full Text Available It has long been known that the magnetospheric particles can precipitate into the atmosphere of the Earth. In this paper we examine such precipitation of energetic electrons using the data obtained from low-altitude polar orbiting satellite observations. We analyze the precipitating electron flux data for many periods selected from a total of 84 storm events identified for 2001-2012. The analysis includes the dependence of precipitation on the Kp index and the electron energy, for which we use three energies E1 > 30 keV, E2 > 100 keV, E3 > 300 keV. We find that the precipitation is best correlated with Kp after a time delay of < 3 hours. Most importantly, the correlation with Kp is notably tighter for lower energy than for higher energy in the sense that the lower energy precipitation flux increases more rapidly with Kp than does the higher energy precipitation flux. Based on this we suggest that the Kp index reflects excitation of a wave that is responsible for scattering of preferably lower energy electrons. The role of waves of other types should become increasingly important for higher energy, for which we suggest to rely on other indicators than Kp if one can identify such an indicator.

Task-dependent changes of motor cortical network excitability during precision grip compared to isolated finger contraction

DEFF Research Database (Denmark)

Kouchtir-Devanne, Nezha; Capaday, Charles; Cassim, François

2012-01-01

The purpose of this study was to determine whether task-dependent differences in corticospinal pathway excitability occur in going from isolated contractions of the index finger to its coordinated activity with the thumb. Focal transcranial magnetic stimulation (TMS) was used to measure input-out...

Sub-50 fs excited state dynamics of 6-chloroguanine upon deep ultraviolet excitation.

Science.gov (United States)

Mondal, Sayan; Puranik, Mrinalini

2016-05-18

The photophysical properties of natural nucleobases and their respective nucleotides are ascribed to the sub-picosecond lifetime of their first singlet states in the UV-B region (260-350 nm). Electronic transitions of the ππ* type, which are stronger than those in the UV-B region, lie at the red edge of the UV-C range (100-260 nm) in all isolated nucleobases. The lowest energetic excited states in the UV-B region of nucleobases have been investigated using a plethora of experimental and theoretical methods in gas and solution phases. The sub-picosecond lifetime of these molecules is not a general attribute of all nucleobases but specific to the five primary nucleobases and a few xanthine and methylated derivatives. To determine the overall UV photostability, we aim to understand the effect of more energetic photons lying in the UV-C region on nucleobases. To determine the UV-C initiated photophysics of a nucleobase system, we chose a halogen substituted purine, 6-chloroguanine (6-ClG), that we had investigated previously using resonance Raman spectroscopy. We have performed quantitative measurements of the resonance Raman cross-section across the Bb absorption band (210-230 nm) and constructed the Raman excitation profiles. We modeled the excitation profiles using Lee and Heller's time-dependent theory of resonance Raman intensities to extract the initial excited state dynamics of 6-ClG within 30-50 fs after photoexcitation. We found that imidazole and pyrimidine rings of 6-ClG undergo expansion and contraction, respectively, following photoexcitation to the Bb state. The amount of distortions of the excited state structure from that of the ground state structure is reflected by the total internal reorganization energy that is determined at 112 cm(-1). The contribution of the inertial component of the solvent response towards the total reorganization energy was obtained at 1220 cm(-1). In addition, our simulation also yields an instantaneous response of the first

Electron impact excitation of helium in Debye plasma

Energy Technology Data Exchange (ETDEWEB)

Diallo, S.; Gomis, L.; Faye, I. G.; Tall, M. S.; Diédhiou, I. [Département de Physique, Faculté des Sciences and Techniques, Université Cheikh Anta Diop, Dakar-Fann (Senegal); Diatta, C. S. [Institut International des Sciences et de Technologie, 28 Avenue des Ambassadeurs Dakar-Fann (Senegal); Zammit, M. [ARC Centre for Antimatter-Matter Studies, Curtin University, GPO Box U1987, Perth, Western Australia 6845 (Australia)

2015-03-15

The probability, differential, and integral scattering cross sections of the 1{sup 1}S→2{sup 1}S and 1{sup 1}S→2{sup 1}P transitions of helium have been calculated in the first Born approximation. The projectile-target interactions depending on the temperature and the density of plasma are described by the Debye-Hückel model. Wave functions of the target before and after collision were modeled by non orthogonal Hartree-Fock orbitals. The wave functions parameters are calculated with the Ritz variational method. We improve our unscreened first Born approximation integral cross sections by using the BE-scaled (B stands for binding energy and E excitation energy) method. The second Born approximation has also been used to calculate the excitation cross sections in Debye plasma. Our calculations are compared to other theoretical and experimental results where applicable.

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.

US oil dependency and energy security; Dependance petroliere et securite energetique americaine

Energy Technology Data Exchange (ETDEWEB)

Noel, P [Institut francais des Relations Internationals, 75 - Paris (France); [Universite Pierre Mendes-France-IEPE-CNRS, 38 - Grenoble (France)

2002-07-01

The three papers of this document were written in the framework of a seminar organized the 30 may 2002 by the IFRI in the framework of its program Energy and Climatic Change. The first presentation deals with the american oil policy since 1980 (relation between the oil dependence and the energy security, the Reagan oil policy, the new oil policy facing the increase of the dependence). The second one deals with the US energy security (oil security, domestic energy security, policy implications). The last presentation is devoted to the US oil dependence in a global context and the problems and policies of international energy security. (A.L.B.)

Role of renewable energy policies in energy dependency in Finland: System dynamics approach

International Nuclear Information System (INIS)

Aslani, Alireza; Helo, Petri; Naaranoja, Marja

2014-01-01

Highlights: • A system dynamics model for evaluating renewable energy policies on dependency is proposed. • The model considers the role of diversification on dependency and security of energy supply in Finland. • Dependency on imported sources will decrease depends on the defined scenarios in Finland. - Abstract: Objective: We discuss the role of diversification on dependency and security of energy supply. A system dynamics model with especial focus on the role of renewable energy resources (as a portfolio) on Finland’s energy dependency is developed. The purpose is also to cover a part of research gap exists in the system dynamics modeling of energy security investigations. Methods: A causal loops diagram and a system dynamics model evaluate Finnish scenarios of renewable energy policies. The analysis describes the relationship between dynamic factors such as RE encouragement packages, dependency, and energy demand. Results: A causal loops diagram and a system dynamics model evaluate three different Finnish scenarios of renewable energy policies by 2020. Conclusion: Analysis shows that despite 7% electricity/heat consumption growth by 2020 in Finland, dependency on imported sources will decrease between 1% and 7% depend on the defined scenarios. Practice Implications: The proposed model not only helps decision makers to test their scenarios related to renewable energy polices, it can be implemented by other countries

Energy dependence of polymer gels in the orthovoltage energy range

Directory of Open Access Journals (Sweden)

Yvonne Roed

2014-03-01

Full Text Available Purpose: Ortho-voltage energies are often used for treatment of patients’ superficial lesions, and also for small- animal irradiations. Polymer-Gel dosimeters such as MAGAT (Methacrylic acid Gel and THPC are finding increasing use for 3-dimensional verification of radiation doses in a given treatment geometry. For mega-voltage beams, energy dependence of MAGAT has been quoted as nearly energy-independent. In the kilo-voltage range, there is hardly any literature to shade light on its energy dependence.Methods: MAGAT was used to measure depth-dose for 250 kVp beam. Comparison with ion-chamber data showed a discrepancy increasing significantly with depth. An over-response as much as 25% was observed at a depth of 6 cm.Results and Conclusion: Investigation concluded that 6 cm water in the beam resulted in a half-value-layer (HVL change from 1.05 to 1.32 mm Cu. This amounts to an effective-energy change from 81.3 to 89.5 keV. Response measurements of MAGAT at these two energies explained the observed discrepancy in depth-dose measurements. Dose-calibration curves of MAGAT for (i 250 kVp beam, and (ii 250 kVp beam through 6 cm of water column are presented showing significant energy dependence.-------------------Cite this article as: Roed Y, Tailor R, Pinksy L, Ibbott G. Energy dependence of polymer gels in the orthovoltage energy range. Int J Cancer Ther Oncol 2014; 2(2:020232. DOI: 10.14319/ijcto.0202.32 

Energy dependence of the absorptive potential for sub-Coulomb energy proton bombardment of zirconium and molybdenum isotopes

International Nuclear Information System (INIS)

Flynn, D.S.; Hershberger, R.L.; Gabbard, F.

1985-01-01

The measured (p,p) and (p,n) excitation functions for /sup 92,94,96/Zr and /sup 95,98,100/Mo were fitted in the energy range 2 3 for all isotopes studied as the proton bombarding energy is increased toward 15 MeV. This result is consistent with results from analyses at higher energies

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

Experimental determination of electron shock excitation cross sections for a singly charged gadolinium ion

International Nuclear Information System (INIS)

Smirnov, Yu.M.

1995-01-01

The trends observed in the processes of excitation with simultaneous ionization have received little study. This is particularly so for rare-earth elements having electron shells of complex structure and optical spectra very rich in lines. Among the basic factors responsible for such a situation, we should mention two: the difficulty presented by theoretical analysis of the processes discussed and the absence of factual information about the excitation cross sections with simultaneous ionization for the majority of rare-earth elements. The aim of the present work is to investigate the excitation of a singly charged gadolinium ion in the collisions of monokinetic electrons with gadolinium atoms. Up to the present time, only the excitation cross sections of a gadolinium atom have been measured, where investigation of the electron shock excitation of gadolinium atoms in their free state is associated with overcoming large experimental difficulties. About 160 crosss sections for the excitation of a singly charged gadolinium ion were measured and for a third of the cross sections; the energy dependences were recorded for the change in energy of the elecrons from the excitation threshold up to 200 eV. Included are tables of the wavelength, transistion, internal quantum number, the energy of the lowere and upper levels, and the values of cross sections for the charged gadolinium ion. Diagrams of the transistion energy states of Gd (II) and spectroscopy are presented and explained

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

On the dynamics of excited atoms in time dependent electromagnetic fields

Energy Technology Data Exchange (ETDEWEB)

Foerre, Morten

2004-06-01

This thesis is composed of seven scientific publications written in the period 2001-2004. The focus has been set on Rydberg atoms of hydrogen and lithium in relatively weak electromagnetic fields. Such atoms have been studied extensively during many years, both experimentally and theoretically, They are relatively easy to handle in the laboratory. Their willingness to react to conventional field sources and their long lifetimes, are two reasons for this. Much new insight into fundamental quantum mechanics has been extracted from such studies. By exciting a non-hydrogenic ground state atom or molecule into a highly excited state, many properties of atomic hydrogen are adopted. In many cases the dynamics of such systems can be accurately described by the hydrogenic theory, or alternatively by some slightly modified version like quantum defect theory. In such theories the Rydberg electron(s) of the non-hydrogenic Rydberg system is treated like it is confined in a modified Coulomb potential, which arises from the non-hydrogenic core. defined by the non-excited electrons and the nucleus. The more heavily bound core electrons are less influenced from external perturbations than the excited electrons, giving rise to the so-called frozen-core approximation. where the total effect of the core electrons is put into a modified Coulomb potential. A major part of this thesis has been allocated to the study of core effects in highly excited states of lithium. In collaboration with time experimental group of Erik Horsdal-Pedersen at Aarhus University, we have considered several hydrogenic and non-hydrogenic aspects of such states, when exposed to weak slowly varying electromagnetic fields. The dynamics was restricted to one principal shell (intrashell). Two general features were observed, either the hydrogenic theory applied or alternatively, in case of massive deviation, the dynamics was accurately described by quantum defect theory, clearly demonstrating the usefulness of such

On the dynamics of excited atoms in time dependent electromagnetic fields

International Nuclear Information System (INIS)

Foerre, Morten

2004-06-01

This thesis is composed of seven scientific publications written in the period 2001-2004. The focus has been set on Rydberg atoms of hydrogen and lithium in relatively weak electromagnetic fields. Such atoms have been studied extensively during many years, both experimentally and theoretically, They are relatively easy to handle in the laboratory. Their willingness to react to conventional field sources and their long lifetimes, are two reasons for this. Much new insight into fundamental quantum mechanics has been extracted from such studies. By exciting a non-hydrogenic ground state atom or molecule into a highly excited state, many properties of atomic hydrogen are adopted. In many cases the dynamics of such systems can be accurately described by the hydrogenic theory, or alternatively by some slightly modified version like quantum defect theory. In such theories the Rydberg electron(s) of the non-hydrogenic Rydberg system is treated like it is confined in a modified Coulomb potential, which arises from the non-hydrogenic core. defined by the non-excited electrons and the nucleus. The more heavily bound core electrons are less influenced from external perturbations than the excited electrons, giving rise to the so-called frozen-core approximation. where the total effect of the core electrons is put into a modified Coulomb potential. A major part of this thesis has been allocated to the study of core effects in highly excited states of lithium. In collaboration with time experimental group of Erik Horsdal-Pedersen at Aarhus University, we have considered several hydrogenic and non-hydrogenic aspects of such states, when exposed to weak slowly varying electromagnetic fields. The dynamics was restricted to one principal shell (intrashell). Two general features were observed, either the hydrogenic theory applied or alternatively, in case of massive deviation, the dynamics was accurately described by quantum defect theory, clearly demonstrating the usefulness of such

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

The interference effects in the alignment and orientation of the Kr II 4p45p states following Kr I 3d9np resonance excitation

International Nuclear Information System (INIS)

Lagutin, B M; Petrov, I D; Sukhorukov, V L; Demekhin, Ph V; Zimmermann, B; Mickat, S; Kammer, S; Schartner, K-H; Ehresmann, A; Shutov, Yu A; Schmoranzer, H

2003-01-01

The energy dependence of the alignment parameter A 20 for the Kr II 4p 4 5p(E 1 J 1 ) states following excitation in the Raman regime with the exciting-photon energy passing through the Kr I 3dJ 9 barnpjbar resonances was investigated theoretically and experimentally. Interference between the resonance and direct photoionization channels explains the dependence of A 20 on the excitation energy. Experimentally, A 20 was determined after the analysis of 5p-5s fluorescence decay of the 4p 4 5p(E 1 J 1 ) states excited with monochromatized synchrotron radiation. The band pass of the synchrotron radiation was set to 10 meV which is smaller than the natural width of the 3d 9 np resonances (∼83 meV). Additionally, a strong energy dependence was predicted for the orientation parameter O 10 as well as for the angular distribution parameter of photoelectrons, β e , for several 4p 4 5p(E 1 J 1 ) ionic states

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.

Magnetic Excitations in Weakly Coupled Spin Dimers and Chains Material Cu2Fe2Ge4O13

International Nuclear Information System (INIS)

Masuda, Takatsugu; Zheludev, Andrey I.; Sales, Brian C.; Imai, S.; Uchinokura, K.; Park, S.

2005-01-01

Magnetic excitations in a weakly coupled spin dimers and chains compound Cu 2 Fe 2 Ge 4 O 13 are measured by inelastic neutron scattering. Both structure factors and dipsersion of low-energy excitations up to 10 meV energy transfer are well described by a semiclassical spin wave theory involving interacting Fe 3+ (S=5/2) chains. Additional dispersionsless excitations are observed at higher energies, at ℎω=24 meV, and associated with singlet-triplet transitions within Cu 2+ dimers. Both types of excitations can be understood by treating weak interactions between the Cu 2+ and Fe 3+ subsystems at the level of the mean-field random phase approximation. However, this simple model fails to account for the measured temperature dependence of the 24 meV mode.

Kinetic energy dissipation in heavy-ion collisions

International Nuclear Information System (INIS)

Fedotov, S.I.; Jolos, R.V.; Kartavenko, V.G.

1979-01-01

Kinetic energy dissipation mechanism is considered in deep inelastic heavy-ion collisions. It is shown that the significant part of the kinetic energy loss can be explained by the excitation of the nuclear matter multipole vibrations. The main contribution of the energy dissipation is given by the time dependent heavy-ion interaction potential renormalized due to the nuclear excitations, rather than by the velocity proportional frictional forces

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.

Beam energy dependence of elliptic flow in heavy-ion collision

International Nuclear Information System (INIS)

Otuka, Naohiko; Isse, Masatsugu; Ohnishi, Akira; Pradip Kumar Sahu; Nara, Yasushi

2002-01-01

We study radial flow and elliptic flow in relativistic heavy-ion collisions at energies from GSI-SIS to BNL-RHIC energies using hadronic cascade model JAM. The excitation function of radial flow shows the softening of hadronic matter from BNL-AGS to CERN-SPS energies. JAM model reproduces transverse mass spectra at BNL-AGS, CERN-SPS at BNL-RHIC energies as well as elliptic flow upto CERN-SPS. For elliptic flow at BNL-RHIC energy (√s=130 GeV), while JAM gives the enough flow at fragment region, it fails at mid rapidity. (author)

Dose-dependent effects of theta burst rTMS on cortical excitability and resting-state connectivity of the human motor system.

Science.gov (United States)

Nettekoven, Charlotte; Volz, Lukas J; Kutscha, Martha; Pool, Eva-Maria; Rehme, Anne K; Eickhoff, Simon B; Fink, Gereon R; Grefkes, Christian

2014-05-14

Theta burst stimulation (TBS), a specific protocol of repetitive transcranial magnetic stimulation (rTMS), induces changes in cortical excitability that last beyond stimulation. TBS-induced aftereffects, however, vary between subjects, and the mechanisms underlying these aftereffects to date remain poorly understood. Therefore, the purpose of this study was to investigate whether increasing the number of pulses of intermittent TBS (iTBS) (1) increases cortical excitability as measured by motor-evoked potentials (MEPs) and (2) alters functional connectivity measured using resting-state fMRI, in a dose-dependent manner. Sixteen healthy, human subjects received three serially applied iTBS blocks of 600 pulses over the primary motor cortex (M1 stimulation) and the parieto-occipital vertex (sham stimulation) to test for dose-dependent iTBS effects on cortical excitability and functional connectivity (four sessions in total). iTBS over M1 increased MEP amplitudes compared with sham stimulation after each stimulation block. Although the increase in MEP amplitudes did not differ between the first and second block of M1 stimulation, we observed a significant increase after three blocks (1800 pulses). Furthermore, iTBS enhanced resting-state functional connectivity between the stimulated M1 and premotor regions in both hemispheres. Functional connectivity between M1 and ipsilateral dorsal premotor cortex further increased dose-dependently after 1800 pulses of iTBS over M1. However, no correlation between changes in MEP amplitudes and functional connectivity was detected. In summary, our data show that increasing the number of iTBS stimulation blocks results in dose-dependent effects at the local level (cortical excitability) as well as at a systems level (functional connectivity) with a dose-dependent enhancement of dorsal premotor cortex-M1 connectivity. Copyright © 2014 the authors 0270-6474/14/346849-11$15.00/0.

Alpha particle emission as a probe of the level density in highly excited A∼200 nuclei

International Nuclear Information System (INIS)

Fabris, D.; Fioretto, E.; Viesti, G.; Cinausero, M.; Gelli, N.; Hagel, K.; Lucarelli, F.; Natowitz, J.B.; Nebbia, G.; Prete, G.; Wada, R.

1994-01-01

The alpha particle emission from 90 to 140 MeV 19 F+ 181 Ta fusion-evaporation reactions has been studied. The comparisons of the experimental spectral shapes and multiplicities with statistical model predictions indicate a need to use an excitation energy dependent level-density parameter a=A/K in which K increases with excitation energy. This increase is more rapid than that in lower mass nuclei. The effect of this change in level density on the prescission multiplicities in fission is significant

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

International Nuclear Information System (INIS)

Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

2015-01-01

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline

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...

Nuclear three-body problem and energy-dependent potentials

International Nuclear Information System (INIS)

Abdurakhmanov, A.; Akhmadkhodzhaev, B.; Zubarev, A.L.; Irgaziev, B.F.

1985-01-01

Energy-dependent potentials in the three-body problem are being considered. Three-particle equations for the case of pairing energy-dependent potentials are generalized and the problems related to this ambiguous generalization are investigated. In terms of the equations obtained the tritium binding energy and vertex coupling constants (Tdn) and (Tdν) are evaluated. The binding energy and, especially, coupling constants are shown to be sensitive to a shape of the energy-dependent potential

Collective excitations in a superfluid of color-flavor locked quark matter

International Nuclear Information System (INIS)

Fukushima, Kenji; Iida, Kei

2005-01-01

We investigate collective excitations coupled with baryon density in a system of massless three-flavor quarks in the collisionless regime. By using the Nambu-Jona-Lasinio (NJL) model in the mean-field approximation, we field-theoretically derive the spectra both for the normal and color-flavor locked (CFL) superfluid phases at zero temperature. In the normal phase, we obtain usual zero sound as a low-lying collective mode in the particle-hole (vector) channel. In the CFL phase, the nature of collective excitations varies in a way dependent on whether the excitation energy, ω, is larger or smaller than the threshold given by twice the pairing gap Δ, at which pair excitations with nonzero total momentum become allowed to break up into two quasiparticles. For ω H =1/√(3) in the low momentum regime; the decay constant f H obtained in the NJL model is identical with the QCD result obtained in the mean-field approximation. We also find that, as the momentum of the phonon increases, the excitation energy goes up and asymptotically approaches ω=2Δ. Above the threshold for pair excitations (ω>2Δ), zero sound manifests itself in the vector channel. By locating the zero sound pole of the vector propagator in the complex energy plane, we investigate the attenuation and energy dispersion relation of zero sound. In the long wavelength limit, the phonon mode, the only low-lying excitation, has its spectral weight in the H channel alone, while the spectral function vanishes in the vector channel. This is due to nontrivial mixing between the H and vector channels in the superfluid medium. We finally extend our study to the case of nonzero temperature. We demonstrate how Landau damping smears the phonon peak in the finite temperature spectral function. We find a pure imaginary pole of the H propagator in the complex energy plane, which can be identified as a diffusive mode responsible for the Landau damping. From the pole position we derive the thermal diffusion constant

No evidence of reduced collectivity in Coulomb-excited Sn isotopes

Science.gov (United States)

Kumar, R.; Saxena, M.; Doornenbal, P.; Jhingan, A.; Banerjee, A.; Bhowmik, R. K.; Dutt, S.; Garg, R.; Joshi, C.; Mishra, V.; Napiorkowski, P. J.; Prajapati, S.; Söderström, P.-A.; Kumar, N.; Wollersheim, H.-J.

2017-11-01

In a series of Coulomb excitation experiments the first excited 2+ states in semimagic Sn 112 ,116 ,118 ,120 ,122 ,124 isotopes were excited using a 58Ni beam at safe Coulomb energy. The B (E 2 ; 0+→2+) values were determined with high precision (˜3 %) relative to 58Ni projectile excitation. These results disagree with previously reported B (E 2 ↑) values [A. Jungclaus et al., Phys. Lett. B 695, 110 (2011)., 10.1016/j.physletb.2010.11.012] extracted from Doppler-shift attenuation lifetime measurements, whereas the reported mass dependence of B (E 2 ↑) values is very similar to a recent Coulomb excitation study [J. M. Allmond et al., Phys. Rev. C 92, 041303(R) (2015), 10.1103/PhysRevC.92.041303]. The stable Sn isotopes, key nuclei in nuclear structure, show no evidence of reduced collectivity and we, thus, reconfirm the nonsymmetric behavior of reduced transition probabilities with respect to the midshell A =116 .

Equivalence between deep energy-dependent and shallow angular momentum dependent potentials

International Nuclear Information System (INIS)

Fiedeldey, H.; Sofianos, S.A.; Papastylianos, A.; Amos, K.A.; Allen, L.J.

1989-01-01

Recently Baye showed that supersymmetry can be applied to determine a shallow l-dependent potential phase equivalent to a deep potential, assumed to be energy-independent and have Panli forbidden states (PFS), for α-α scattering. The PFS are eliminated by this procedure. Such deep potentials are generated as equivalent local potentials (ELP) to the Resonating Group Model (RGM) and are generally energy-dependent. To eliminate this E-dependence as required for the application of Baye's method, l-dependent, but E-independent, deep local potentials were generated by the exact inversion method of Marchenko. Subsequently, the supersymmetric method was used to eliminate the PFS, ensuring that the generalized Levinson theorem is satisfied. As an example, the method was applied to the simple model of two dineutrons scattering in the RGM, where the deep ELP of Horiuchi has a substantial energy-dependence and one PFS only for l=O. 16 refs., 5 figs

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)

Excited-state kinetics of the carotenoid S//1 state in LHC II and two-photon excitation spectra of lutein and beta-carotene in solution Efficient Car S//1 yields Chl electronic energy transfer via hot S//1 states?

CERN Document Server

Walla, P J; Linden, Patricia A; Ohta, Kaoru

2002-01-01

The excited-state dynamics of the carotenoids (Car) in light- harvesting complex II (LHC II) of Chlamydomonas reinhardtii were studied by transient absorption measurements. The decay of the Car S //1 population ranges from similar to 200 fs to over 7 ps, depending on the excitation and detection wavelengths. In contrast, a 200 fs Car S//1 yields Chlorophyll (Chl) energy transfer component was the dominant time constant for our earlier two-photon fluorescence up- conversion measurements (Walla, P.J. ; et al. J. Phys. Chem. B 2000, 104, 4799-4806). We also present the two-photon excitation (TPE) spectra of lutein and beta-carotene in solution and compare them with the TPE spectrum of LHC II. The TPE-spectrum of LHC II has an onset much further to the blue and a width that is narrower than expected from comparison to the S//1 fluorescence of lutein and beta-carotene in solution. Different environments may affect the shape of the S//1 spectrum significantly. To explain the blue shift of the TPE spectrum and the d...

Study of the neutron-photon competition during fission fragment de-excitation

International Nuclear Information System (INIS)

Min, Dong Pil.

1976-01-01

A program was developed to study in detail the competition between neutron and photon emissions during the different stages of the nucleus de-excitation. The main conclusions of this work are the following: the neutron-photon competition fairly depends of the initial spin of the primary fragment. It has a strong effect on the mean number of emitted neutrons, on the photon energy, and to a lower degree, on the mean energy per neutron. A relation between the mean initial spin of the heavy fragment for the almost symmetrical fission, the mean initial spin of the heavy fragment for a very asymmetric fission and the corresponding values of the mean number of emitted neutrons is given. The mean initial excitation energy must increase of about 9MeV for the nucleus to emit one more neutron. Two reasons are given to explain the fact that the measured neutron multiplicity variance is higher for the heavy fragment than for the light one: either the existence of a covariance between spin and excitation energy distribution, or a dispersion of the values of the mean number of emitted neutrons due to the mass and charge distribution resulting from experimental incertitudes. The mean energy per neutron calculated with the program is in good agreement with measured values [fr

Proton capture to the ground and excited states in light nuclei

International Nuclear Information System (INIS)

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

1984-01-01

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

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

PS II model based analysis of transient fluorescence yield measured on whole leaves of Arabidopsis thaliana after excitation with light flashes of different energies.

Science.gov (United States)

Belyaeva, N E; Schmitt, F-J; Paschenko, V Z; Riznichenko, G Yu; Rubin, A B; Renger, G

2011-02-01

Our recently presented PS II model (Belyaeva et al., 2008) was improved in order to permit a consistent simulation of Single Flash Induced Transient Fluorescence Yield (SFITFY) traces that were earlier measured by Steffen et al. (2005) on whole leaves of Arabidopsis (A.) thaliana at four different energies of the actinic flash. As the essential modification, the shape of the actinic flash was explicitly taken into account assuming that an exponentially decaying rate simulates the time dependent excitation of PS II by the 10 ns actinic flash. The maximum amplitude of this excitation exceeds that of the measuring light by 9 orders of magnitude. A very good fit of the SFITFY data was achieved in the time domain from 100 ns to 10s for all actinic flash energies (the maximum energy of 7.5 × 10¹⁶ photons/(cm²flash) is set to 100%, the relative energies of weaker actinic flashes were of ∼8%, 4%, ∼1%). Our model allows the calculation and visualization of the transient PS II redox state populations ranging from the dark adapted state, via excitation energy and electron transfer steps induced by pulse excitation, followed by final relaxation into the stationary state eventually attained under the measuring light. It turned out that the rate constants of electron transfer steps are invariant to intensity of the actinic laser flash. In marked contrast, an increase of the actinic flash energy by more than two orders of magnitude from 5.4×10¹⁴ photons/(cm²flash) to 7.5×10¹⁶ photons/(cm²flash), leads to an increase of the extent of fluorescence quenching due to carotenoid triplet (³Car) formation by a factor of 14 and of the recombination reaction between reduced primary pheophytin (Phe(-)) and P680(+) by a factor of 3 while the heat dissipation in the antenna complex remains virtually constant. The modified PS II model offers new opportunities to compare electron transfer and dissipative parameters for different species (e.g. for the green algae and the

Fricke xylenol gel energy dependence

International Nuclear Information System (INIS)

Costa, Rosangela T.; Moreira, Marcos V.; Almeida, Adelaide de

2009-01-01

The advancement of technology has increasingly use the of ionizing radiation mainly in the areas of medicine, industry and research. The development of instruments and methods for an effective performance for detection and measurement of each radiation area was crucial. The literature have demonstrated the effectiveness of the Fricke Xylenol Gel (FXG) as an adequate chemical sensor to be used for dosimetry, once its effective atomic number and density are near to those of the soft tissue. The use of photon beams for therapeutic purpose requires knowledge of their characteristics that can vary for each equipment. Therefore, is important to know all parameters involved for the patient irradiation as the total geometry involved, type of radiation, target material composition and beam energy, that have to be taken into account in the beam dosimetry for the treatment success being the energy parameter is one of the most important. This work was developed to study the energetic dependence of the FXG dosimeter. This chemical solution is made with gelatine 300 Bloom, ferrous ammonium sulfate, xylenol orange, sulfuric acid and Milli-Q water and is based on the Fe +2 oxidation to Fe +3 , due to the ionizing radiation leading to the xylenol orange - ferric complex formation, that is linear depend on the absorbed dose. The FXG samples were irradiated with photons of different energies and the absorbance measurements were done with the spectrophotometric technique at the 585 nm, FXG highest absorption peak. The energetic dependence results presented a stronger dependence for low energies and almost independence for high energies, as expected by the interaction of radiation with matter. (author)

Excitation functions of the 98Mo+d reactions

International Nuclear Information System (INIS)

Zarubin, P.P.; Padalko, V.Yu.; Khrisanfov, Yu.V.; Lebedev, P.P.; Podkopaev, Yu.N.

The excitation functions of the 98 Mo+d reactions were studied. The energy dependence of (d,p),(d,n) and (d,α) reactions was investigated by the activation analysis. The energies of deuterons in the range (6-12) MeV were determined by means of the aluminium filters. 98 Mo foils with surface densities of 1.02, 0.23 and 0.14 mgxcm -2 with 98 Mo enrichment of 94.1% were used as targets. The gamma spectra were measured by a Ge(Li) detector. The 98 Mo(d,p) 99 Mo reaction excitation function was determined via detection of 739 and 181 keV γ-radiation of 99 Mo (Tsub(1/2)=66.47h); 140 keV γ-radiation of 99 Tc (Tsub(1/2)=6h) was detected for the 98 Mo(d,n) 99 Tc reaction excitation function determination and 460, 568, 1091, 1200 and 1492 keV γ-quanta of 96 Nb (Tsub(1/2)=23.35h) - for the 98 Mo(d,α) 96 Nb reaction. In the excitation function the wide extremum was observed at Esub(d) approximately 10 MeV. The ratio of cross sections σsup(m)(d,n)/σ(d,p) on the 98 Mo target was determined. The ratio σsup(m)(d,n)/σ(d,p) was found to be decreasing function of the deuteron energy. The relative cross sections were determined with an accuracy of +-5%, while for the absolute values of cross sections the accuracy was +-15%

Collisional excitation of ArH+ by hydrogen atoms

Science.gov (United States)

Dagdigian, Paul J.

2018-06-01

The rotational excitation of the 36ArH+ ion in collisions with hydrogen atoms is investigated in this work. The potential energy surface (PES) describing the 36ArH+-H interaction, with the ion bond length r fixed at the average of r over the radial v = 0 vibrational state distribution, was obtained with a coupled cluster method that included single, double, and (perturbatively) triple excitations [RCCSD(T)]. A deep minimum (De = 3135 cm-1) in the PES was found in linear H-ArH+ geometry at an ion-atom separation Re = 4.80a0. Energy-dependent cross-sections and rate coefficients as a function of temperature for this collision pair were computed in close-coupling (CC) calculations. Since the PES possesses a deep well, this is a good system to test the performance of the quantum statistical (QS) method developed by Manolopoulos and co-workers as a more efficient method to compute the cross-sections. Good agreement was found between rate coefficients obtained by the CC and QS methods at several temperatures. In a simple application, the excitation of ArH+ is simulated for conditions under which this ion is observed in absorption.

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

Energy Technology Data Exchange (ETDEWEB)

Stanzel, J.

2007-08-10

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