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...

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Main Authors: Craig, I, Manolopoulos, D
格式: Journal article
语言:English
出版: 2004