A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.
about
Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths.Non-equilibrium dynamics from RPMD and CMD.Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution.Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice
P2860
A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.
description
2015 nî lūn-bûn
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name
A new class of ensemble conser ...... ormulation and model problems.
@en
A new class of ensemble conser ...... ormulation and model problems.
@nl
type
label
A new class of ensemble conser ...... ormulation and model problems.
@en
A new class of ensemble conser ...... ormulation and model problems.
@nl
prefLabel
A new class of ensemble conser ...... ormulation and model problems.
@en
A new class of ensemble conser ...... ormulation and model problems.
@nl
P2093
P2860
P356
P1476
A new class of ensemble conser ...... ormulation and model problems.
@en
P2093
Gunnar Nyman
Jens Aage Poulsen
Peter J Rossky
P2860
P304
P356
10.1063/1.4922887
P407
P577
2015-06-01T00:00:00Z