Journal or Conference Title
Journal of Chemical Physics
Natural Sciences and Mathematics
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.
Hall, Randall W., "The Treatment of Exchange in Path Integral Simulations via an Approximate Pseudopotential" (1988). Collected Faculty and Staff Scholarship. 194.
Copyright © 1988 American Institute of Physics. All rights reserved.
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.