about
Dynamic correlations with time-dependent quantum Monte Carlo.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.A method to compute probability current in generic coordinates.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.Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions.Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.Including quantum effects in the dynamics of complex (i.e., large) molecular systems.Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics.A semiclassical study of the thermal conductivity of low temperature liquids.Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen."Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems.A diabatic three-state representation of photoisomerization in the green fluorescent protein chromophore.On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates.A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral.Application of the mixed time-averaging semiclassical initial value representation method to complex molecular spectra.Graphics processing units accelerated semiclassical initial value representation molecular dynamics.Probing coherence aspects of adiabatic quantum computation and control.The importance of the pre-exponential factor in semiclassical molecular dynamics.Path integral Liouville dynamics for thermal equilibrium systems.Electronic coherence lineshapes reveal hidden excitonic correlations in photosynthetic light harvesting
P2860
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P2860
description
2005 nî lūn-bûn
@nan
2005 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Quantum dynamics of complex molecular systems
@ast
Quantum dynamics of complex molecular systems
@en
type
label
Quantum dynamics of complex molecular systems
@ast
Quantum dynamics of complex molecular systems
@en
prefLabel
Quantum dynamics of complex molecular systems
@ast
Quantum dynamics of complex molecular systems
@en
P2860
P356
P1476
Quantum dynamics of complex molecular systems
@en
P2093
William H Miller
P2860
P304
P356
10.1073/PNAS.0408043102
P407
P577
2005-05-03T00:00:00Z