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Comments on a paper by C. S. Sharma and C. A. Coulson, 'Hartree-Fock and correlation energies for 1s2s3S and1S states of helium-like ions'

Authors :
J Sokoloff
Source :
Proceedings of the Physical Society. 86:1271-1272
Publication Year :
1965
Publisher :
IOP Publishing, 1965.

Abstract

Though the notation is identical with that of the standard Hartree-Fock formalism, the `Hartree-Fock parameter' of Sharma and Coulson, 12, cannot be taken as an off-diagonal Lagrangian multiplier for the general case of non-orthogonal orbitals. An alternative formulation of the singlet and triplet equations is derived in terms of standard Lagrangian multipliers in which 12 may be taken as an off-diagonal Lagrangian multiplier for either orthogonal or non-orthogonal orbitals.

Details

ISSN :
03701328
Volume :
86
Database :
OpenAIRE
Journal :
Proceedings of the Physical Society
Accession number :
edsair.doi...........7a9519ce3da492029b5f99ef74128e36