Projected Hartree Product Wavefunctions. III. Comparison with the CI Method for H₂

Authors

R.C. Morrison, University of Nebraska - Lincoln
Gordon A. Gallup, UNLFollow

Date of this Version

February 1969

Comments

Published by American Institute of Physics. J. Chemical Physics 50, 1214 (1969). ©1969 American Institute of Physics. Permission to use. http://jcp.aip.org/.

Abstract

Calculations of the energy of H₂ have been performed using both the projected Hartree–Fock (PHF) method and a full CI method in the same basis for comparison of the two methods. It is discovered that PHF can account for 86% of the correlation energy, whereas CI will account for 88% of the correlation energy. ©1969 American Institute of Physics