Approaching the Hartree-Fock limit by perturbative methods.
We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the complete-basis limit. The best method appears to offer quadratic error reduction and preliminary numerical applications demonstrate that remarkably accurate Hartree-Fock energies can be obtained.
Deng
Jia
J
Research School of Chemistry, The Australian National University, Australian Capital Territory 0200, Australia.
Gilbert
Andrew T B
AT
Gill
Peter M W
PM