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Coherent quantum processes in thermal and nonequilibrium environments
Author(s) -
Martens Craig C.
Publication year - 2012
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24129
Subject(s) - dephasing , semiclassical physics , quantum , non equilibrium thermodynamics , statistical physics , quantum dynamics , physics , thermal , classical limit , work (physics) , limit (mathematics) , quantum mechanics , quantum dissipation , classical mechanics , thermodynamics , mathematics , mathematical analysis
In this article, we describe recent work on investigating the role of the environment in influencing coherent quantum dynamics. We review numerical methodology based on a semiclassical limit of the quantum Liouville equation for simulating quantum coherent processes using classical‐like molecular dynamics simulation and ensemble averaging and apply the approach to simulate vibrational dephasing of I 2 in cryogenic rare gas matrices and the quantum vibrations of OH stretches of HOD in D 2 O. We then describe a simple analytic and numerical model that highlights novel behavior that can be exhibited by quantum coherent processes in the presence of an environment that is not at thermal equilibrium. © 2012 Wiley Periodicals, Inc.