Document Type

Article

Journal or Conference Title

Journal of Chemical Physics

ISSN

0021-9606

Volume

89

Issue

7

First Page

4212

Last Page

4215

Publication Date

1988

Department

Natural Sciences and Mathematics

Abstract

An approximate form that includes the effects of exchange is suggested for the short time propagator used in path integral simulations. The form is inspired physically by the approximation made in Hartree–Fock treatments of atoms and molecules. The approximate propagator is used with q u a n t i t a t i v e accuracy in two systems: an ideal gas of fermions localized in a three‐dimensional harmonic well and the triplet state of the sodium dimer.

Rights

Copyright © 1988 American Institute of Physics. All rights reserved.

Publisher Statement

Originally published as Hall, R. W. (1988). The treatment of exchange in path integral simulations via an approximate pseudopotential. The Journal of chemical physics, 89(7), 4212-4215.

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