A Formulation of Quantum Statistical Mechanics Based on the Feynman Path Centroid Density II Dynamical Properties.
Abstract
The formulation of quantum dynamical time correlation functions is examined within the context of the path centroid variable in Feynman path integration. This study builds upon the centroid-based approach to equilibrium properties developed in the companion paper. The introduction of the centroid perspective into the calculation of real time position functions is outlined and intriguing quasiclassical role for the centroid variable in real time position correlation functions is identified. The centroid-based theory is then implemented in several different approaches. to calculate general correlation functions. The theoretical results are illustrated and tested by representative numerical applications. Computer Simulation, Molecular Dynamics, Charge Transfer
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 04, 1993
- Accession Number
- ADA272698
Entities
People
- Gregory A. Voth
- Jianshu Cao
Organizations
- University of Pennsylvania