HARTREE–FOCK WAVE FUNCTIONS FOR EXCITED STATES: II. SIMPLIFICATION OF THE ORBITAL EQUATIONS
- 1 December 1966
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Physics
- Vol. 44 (12) , 3227-3240
- https://doi.org/10.1139/p66-263
Abstract
Hartree–Fock wave functions have been calculated for a number of excited states of the helium sequence, the wave functions being constrained to be orthogonal to all lower state functions. The effect of choosing the inner 1s orbital so that the orthogonality constraint is satisfied automatically has been examined, and it is shown that such a choice has a very small effect on the total energy. An extension to heavier systems is proposed.Keywords
This publication has 5 references indexed in Scilit:
- On theZ-1/2expansion of unrestricted hartree-fock wave functionsProceedings of the Physical Society, 1964
- Correlation Effects in AtomsPhysical Review B, 1963
- Hartree-Fock and Correlation Energies for 1s2s3S and1S States of Helium-like IonsProceedings of the Physical Society, 1962
- Perturbation Treatment of Hartree-Fock EquationsPhysical Review B, 1961
- The Hartree Energies of the Helium SequenceProceedings of the Physical Society, 1961