TITLE

Variational upper and lower bounds on quantum free energy and energy differences via path integral Monte Carlo

AUTHOR(S)
Hogenson, Gordon J.; Reinhardt, William P.
PUB. DATE
March 1995
SOURCE
Journal of Chemical Physics;3/8/1995, Vol. 102 Issue 10, p4151
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A newly developed variational method for obtaining upper and lower bounds on free energy changes is extended to quantum systems. The convergence of the upper and lower bounds is demonstrated for simple test cases in one and three dimensions, using various path integral Monte Carlo methods, including the ‘‘bead’’ method, the Fourier component method, and multigrid techniques. © 1995 American Institute of Physics.
ACCESSION #
7624427

 

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