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
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