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31.
Deformed Hartree-Fock calculations are performed for some light nuclei in a large configuration space consisting of first
four major shells. The interaction employed is the modified Skyrme interaction in which the deformed density is replaced by
the band averaged scalar density that makes the Hamiltonian rotationally invariant rendering the spectroscopic calculations
feasible. It is shown that the introduction of density dependence spreads out the energy spectra and that the Skyrme variant
SIV which has a weak density dependence gives best overall agreement for energy spectra and the available data for the electromagnetic
properties of the nuclei studied. It is found that the maximum contribution to the energy of any state in the low lying spectrum
comes from thes-state attractive ands-state repulsive parts of the Skyrme interaction. It is also shown that when two-body density dependent version of Skyrme
interaction is used, the Koopmans theorem no longer holds. 相似文献
32.
Electrostatic charging of particles of identical composition, but different sizes, is a poorly understood phenomenon that may be of importance in dust storms, generation of lightning, numerous technological applications involving solid particulates, and in the agglomeration of lunar dust and inter-stellar dust clouds. We show that under optical excitation, the relative magnitude of surface to volume de-excitation gives size-dependent electron and hole concentrations. The consequent differences in chemical potentials can lead to charge transfer between particles of different size. The direction of charge transfer, from large to small or vice versa, depends critically on the properties of the materials. 相似文献
33.
This paper analyzes the properties of reflected polarization dependent loss of apodized fiber Bragg gratings with temperature effective. We simulates reflected spectrum and polarization dependent loss of the apodized fiber Bragg gratings. The reflected spectrum and polarization dependent loss are measured under different temperatures. The analysis results show that reflected polarization dependent loss presents two peaks which shift an equal proportion to long wavelength with temperature increasing and have very good stability so we propose an idea that use polarization dependent loss as temperature sensor measurement parameters. The results show that the accuracy of measurement can be increased almost by one order of magnitude. 相似文献
34.
Size‐dependent mechanical properties of glassy polymer nanofibers via molecular dynamics simulations 下载免费PDF全文
Shengwei Deng Arkadii Arinstein Eyal Zussman 《Journal of Polymer Science.Polymer Physics》2017,55(6):506-514
The microstructure of polymer matrix under cylindrical confinement is key to understanding the size‐dependent thermomechanical behavior of electrospun nanofibers. Coarse‐grained molecular dynamics simulation was applied here to probe polymer systems under cylindrical confinement, prepared with or without pre‐stretching. Simulation results showed that below a certain radius, a noticeable increase of the elastic modulus is observed with the decrease of the radius of cylindrical confinement. This size‐dependent mechanical behavior correlated to the degree of polymer chain orientation. Modulation of density and bond orientation in the radial direction was observed: the density and bond orientation began to oscillate, increasing the oscillation amplitudes with decreases in the radius. Such behavior suggests that the cylindrical confinement enhances the bond alignment of the entire fiber and not in the near‐surface layers only. The unstretched fibers had uniform density distribution along the fiber axis, while the stretched fibers demonstrated a fluctuation in density distribution. The crossover radius of size‐dependent behavior was two orders of magnitude smaller than observed in real experiments, demonstrating that the confinement affects some internal fiber scale, which exceeds the scale of individual macromolecules, and this internal scale may be related to supramolecular structures of the polymer matrix rather than the individual macromolecules. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 506–514 相似文献
35.
In this paper, we investigate the complete moment convergence for dependent linear processes with random coefficients to form 相似文献
36.
37.
We present a formalism to describe collisional correlations responsible for thermalization effects in finite quantum systems. The approach consists in a stochastic extension of time dependent mean field theory. Correlations are treated in time dependent perturbation theory and loss of coherence is assumed at some time intervals allowing a stochastic reduction of the correlated dynamics in terms of a stochastic ensemble of time dependent mean-fields. This theory was formulated long ago in terms of density matrices but never applied in practical cases because of its complexity. We propose here a reformulation of the theory in terms of wave functions and use a simplified 1D model of cluster and molecules allowing to test the theory in a schematic but realistic manner. We illustrate the performance in terms of several observables, in particular global moments of the density matrix and single particle entropy built on occupation numbers. The occupation numbers remain fixed in time dependent mean-field propagation and change when evaluating the correlations, then taking fractional values. They converge asymptotically towards Fermi distributions which is a clear indication of thermalization. 相似文献
38.
39.
Dimitrios Skouteris Antonio Laganà 《International journal of quantum chemistry》2013,113(9):1333-1338
A multiconfiguration time‐dependent Hartree method oriented toward calculations of a non‐Born‐Oppenheimer nature has been applied to the calculation of the dynamical properties of a confined H atom. The calculation is fully six‐dimensional and does not take into account constraints arising from linear or angular momentum conservation. The orbital evolution is monitored and the energy level spectrum of the system, as well as the dependence of the results on the decomposition of the Hamiltonian and on the correlation between radial degrees of freedom, is determined. © 2012 Wiley Periodicals, Inc. 相似文献
40.
Nonstationarity and related measures for time‐dependent hartree–fock and multiconfigurational models
Anatoliy V. Luzanov 《International journal of quantum chemistry》2013,113(23):2489-2505
Based on an earlier article (Eberly and Singh, Phys. Rev. D 1973 , 7, 359) and related works on short‐time evolution, this article proposes a many‐electron formulation for the nonstationarity degree which can be assigned to quantum system at each time point. The key measure introduced, , is a nonstationarity index that can be thought of as an inverse nominal lifetime at each instance of time. The index is directly computed from the time derivative of one‐electron density matrix and is a size‐consistent quantity. In this article, the approach is developed for the time‐dependent Hartree–Fock (TDHF), single‐excitation (TDCIS), and time‐dependent full configuration interaction (TDFCI) models. As a rule, nonstationarity effects are more pronounced in correlated electron systems, and a joint analysis of and the multiconfigurational character of wave functions apparently provide a deeper insight into dynamical molecular processes. The performed calculations on small molecules in laser fields show a preference for the TDCIS model when comparing TDCIS and TDHF with the “exact” TDFCI model. © 2013 Wiley Periodicals, Inc. 相似文献