A Formulation of Quantum Statistical Mechanics Based on the Feynman Path Centroid Density I. Equilibrium Properties
Abstract
A formulation of quantum statistical mechanics is presented in which the Feynman path centroid density in Feynman path integration is recast as the central statistical distribution used to average equilibrium and dynamical quantities. In this formulation, the path integral centroid density occupies the same role as the Boltzmann density in classical statistical mechanics. Therefore, the statistical ensemble of imaginary time path centroid configurations provides the distribution which is used to average the appropriately formulated effective operators and imaginary time correlation functions. An accurate renormalized diagrammatic perturbation theory for the centroid density and centroid-constrained imaginary time propagator will also be described with a particular emphasis given to the mathematical advantages arising from the centroid-based formulation. The present paper is concerned with the calculation of equilibrium properties from the centroid perspective, while the companion paper describes a centroid-based formalism for calculating dynamical time correlation functions. Computer Simulation, Molecular Dynamics, Charge Transfer.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 04, 1993
- Accession Number
- ADA272809
Entities
Organizations
- University of Pennsylvania