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
This publication has 12 references indexed in Scilit:
- Projected Hartree Product Wavefunctions. II. General Considerations of Young OperatorsThe Journal of Chemical Physics, 1969
- Spin-Free Self-Consistent-Field TheoryPhysical Review B, 1968
- Projected Hartree Product WavefunctionsThe Journal of Chemical Physics, 1968
- Wavefunctions and Correlation Energies for Two-, Three-, and Four-Electron AtomsThe Journal of Chemical Physics, 1968
- Improved Quantum Theory of Many-Electron Systems. I. Construction of Eigenfunctions ofWhich Satisfy Pauli's PrinciplePhysical Review B, 1967
- Unrestricted Projected Hartree-Fock Solutions for Two-Electron SystemsPhysical Review B, 1967
- Spin-Free Quantum ChemistryPublished by Elsevier ,1964
- Configuration Interaction in the Hydrogen Molecule—The Ground StateReviews of Modern Physics, 1960
- Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation EffectsPhysical Review B, 1955
- The Energy Levels of a Rotating VibratorPhysical Review B, 1932