Projected Hartree Product Wavefunctions. III. Comparison with the CI Method for H2
- 1 February 1969
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 50 (3), 1214-1218
- https://doi.org/10.1063/1.1671180
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.Keywords
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