Document Type
Article
Date of Original Version
1986
Department
Chemistry
Abstract
The recently introduced method of partial averaging is developed in a general formalism for computing simple Cartesian path integrals. Examples of its application to both harmonic and anharmonic systems are given. For harmonic systems, where analytical results can be derived, both imaginary and complex time evolution is discussed. For two representative anharmonic systems, Monte Carlo path integral simulations of the imaginary time propagator (statistical density matrix) are presented. Connections with other Cartesian path integral techniques are stressed.
Citation/Publisher Attribution
Coalson, R. D., Freeman, D. L., & Doll, J. D.. (1986). Partial Averaging Approach to Fourier Coefficient Path Integration. J. Chem. Phys., 85(8), 4567-4583. doi: 10.1063/1.451778
Available at: http://dx.doi.org/10.1063/1.451778
Terms of Use
All rights reserved under copyright.
Publisher Statement
Copyright 1986 American Institute of Physics.