Statistical mechanics of quantum-classical systems

Citation
S. Nielsen et al., Statistical mechanics of quantum-classical systems, J CHEM PHYS, 115(13), 2001, pp. 5805-5815
Citations number
62
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
13
Year of publication
2001
Pages
5805 - 5815
Database
ISI
SICI code
0021-9606(20011001)115:13<5805:SMOQS>2.0.ZU;2-L
Abstract
The statistical mechanics of systems whose evolution is governed by mixed q uantum-classical dynamics is investigated. The algebraic properties of the quantum-classical time evolution of operators and of the density matrix are examined and compared to those of full quantum mechanics. The equilibrium density matrix that appears in this formulation is stationary under the dyn amics and a method for its calculation is presented. The response of a quan tum-classical system to an external force which is applied from the distant past when the system is in equilibrium is determined. The structure of the resulting equilibrium time correlation function is examined and the quantu m-classical limits of equivalent quantum time correlation functions are der ived. The results provide a framework for the computation of equilibrium ti me correlation functions for mixed quantum-classical systems. (C) 2001 Amer ican Institute of Physics.