Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamics.

We propose an approximate method for calculating Kubo-transformed real-time correlation functions involving position-dependent operators, based on path integral (Parrinello-Rahman) molecular dynamics. The method gives the exact quantum mechanical correlation function at time zero, exactly satisfies...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron: Craig, I, Manolopoulos, D
Fformat: Journal article
Iaith:English
Cyhoeddwyd: 2004