Department of Physics and Astronomy: Publications and Other Research
Document Type
Article
Date of this Version
February 1969
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
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/.