Condensed Matter Physics, 2006, vol. 9, No. 4(48), p.637-644, English
DOI:10.5488/CMP.9.4.637

Title: Kinetic theory of non-hamiltonian statistical ensembles
Author(s):
  A.V.Zhukov (Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA; Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7, Canada) ,
  J.Cao (Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA)

A nonequilibrium statistical operator method is developed for ensembles of particles obeying non-Hamiltonian equations of motion in classical phase space. The main consequences of non-zero compressibility of phase space are examined in terms of time-dependent dynamic quantities. The generalized transport equations involve the phase-space compressibility in a non-trivial way. Our results are useful in molecular dynamics simulation studies as well as nonequilibrium or quasiclassical approximations of quantum-classical dynamics.

Key words: non-Hamiltonian systems, nonequilibrium statistical operator, Zubarev formalism, molecular dynamics
PACS: 05.20.-y, 05.20.Gg, 82.20.-w


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