Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen.
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Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field.On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum.Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids.On the mode-coupling treatment of collective density fluctuations for quantum liquids: para-hydrogen and normal liquid helium.Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: the resonant level model.Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions.Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics.Thermal Gaussian molecular dynamics for quantum dynamics simulations of many-body systems: application to liquid para-hydrogen.Exact quantum statistics for electronically nonadiabatic systems using continuous path variables.A semiclassical study of the thermal conductivity of low temperature liquids.An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories.Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments.A molecular dynamics study of nuclear quantum effect on diffusivity of hydrogen molecule.Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions.Blip decomposition of the path integral: exponential acceleration of real-time calculations on quantum dissipative systems.Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.Fighting the curse of dimensionality in first-principles semiclassical calculations: non-local reference states for large number of dimensions.Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water.Nonlinear quantum time correlation functions from centroid molecular dynamics and the maximum entropy method.The importance of the pre-exponential factor in semiclassical molecular dynamics.Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation.Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.Path integral Liouville dynamics for thermal equilibrium systems.A comparative study of the centroid and ring-polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals
P2860
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P2860
Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh
2008年學術文章
@zh-hant
name
Test of the consistency of var ...... ing from liquid para-hydrogen.
@en
Test of the consistency of var ...... ing from liquid para-hydrogen.
@nl
type
label
Test of the consistency of var ...... ing from liquid para-hydrogen.
@en
Test of the consistency of var ...... ing from liquid para-hydrogen.
@nl
prefLabel
Test of the consistency of var ...... ing from liquid para-hydrogen.
@en
Test of the consistency of var ...... ing from liquid para-hydrogen.
@nl
P2860
P356
P1476
Test of the consistency of var ...... ing from liquid para-hydrogen.
@en
P2093
William H Miller
P2860
P304
P356
10.1063/1.2889945
P407
P50
P577
2008-04-01T00:00:00Z