Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 1 of 1
Full-Text Articles in Physics
The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall
The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall
Collected Faculty and Staff Scholarship
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.