Quantum-classical dynamics in a classical bath

Publication Type:

Journal Article

Authors:

Kapral, R.

Source:

Journal of Physical Chemistry A, Volume 105, Number 12, p.2885-2889 (2001)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0035967419&partnerID=40&md5=a7488a17d3c5bb481566dddc110ccfe7

Keywords:

Claasical baths, Continuum mechanics, Degrees of freedom (mechanics), Energy dissipation, Molecular dynamics, Quantum Theory

Abstract:

A derivation of the equations of motion for a mixed quantum-classical system in a dissipative environment is presented. The classical environment of the quantum subsystem is taken to be composed of two parts: the first part, termed the classical subsystem, comprises those degrees of freedom that are coupled directly to the quantum subsystem, whereas the second part is a large bath that is coupled only to the classical subsystem. Projection operator methods are used to eliminate the bath degrees of freedom yielding a dissipative equation of motion for the coupled quantum and classical subsystems. © 2001 American Chemical Society.

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