Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics.
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Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow ProteinPath integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths.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 fast variational Gaussian wavepacket method: size-induced structural transitions in large neon clusters.A semiclassical study of the thermal conductivity of low temperature liquids.Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane.Path integral Liouville dynamics for thermal equilibrium systems.
P2860
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P2860
Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics.
description
2011 nî lūn-bûn
@nan
2011年の論文
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年學術文章
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2011年學術文章
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2011年學術文章
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name
Two more approaches for genera ...... mulation of quantum mechanics.
@en
Two more approaches for genera ...... mulation of quantum mechanics.
@nl
type
label
Two more approaches for genera ...... mulation of quantum mechanics.
@en
Two more approaches for genera ...... mulation of quantum mechanics.
@nl
prefLabel
Two more approaches for genera ...... mulation of quantum mechanics.
@en
Two more approaches for genera ...... mulation of quantum mechanics.
@nl
P2860
P356
P1476
Two more approaches for genera ...... mulation of quantum mechanics.
@en
P2860
P304
P356
10.1063/1.3589406
P407
P50
P577
2011-05-01T00:00:00Z