Long-range interactions in auxiliary-field many-electron calculations

D. R. Hamann and S. B. Fahy
Phys. Rev. B 47, 1717 – Published 15 January 1993
PDFExport Citation

Abstract

The ground-state projection version of the Hubbard-Stratonovich auxiliary-field simulation method has been extended to Hubbard-style models with arbitrary range interactions between pairs of sites. For repulsive interactions, a transformation based on three auxiliary fields per site performs comparably to the usual single-field approach for local interactions. These fields have unit-variance Gaussian distributions, and couple to the number operators on each site through several matrices calculated from the original pairwise interaction matrix. Tests of this approach have been performed on small clusters of sites representing highly simplified models of atoms and molecules. Our recently introduced ‘‘positive-projection’’ approximation remains effective in controlling the ‘‘sign problem.’’ Comparisons to exact diagonalization demonstrate that accurate energies and correlation functions are obtained using this approach.

  • Received 15 June 1992

DOI:https://doi.org/10.1103/PhysRevB.47.1717

©1993 American Physical Society

Authors & Affiliations

D. R. Hamann

  • AT&T Bell Laboratories, 600 Mountain Avenue, Murray Hill, New Jersey 07974

S. B. Fahy

  • Department of Physics, University of Michigan, Ann Arbor, Michigan 48109-1120

References (Subscription Required)

Click to Expand
Issue

Vol. 47, Iss. 4 — 15 January 1993

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×