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...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2004
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