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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'
- 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.
- Subjects :
- Nuclear Theory
Hartree–Fock method
chemistry.chemical_element
Ion
symbols.namesake
Formalism (philosophy of mathematics)
Atomic orbital
chemistry
Quantum mechanics
Lagrange multiplier
symbols
General Earth and Planetary Sciences
Physics::Atomic Physics
Singlet state
Helium
General Environmental Science
Mathematics
Subjects
Details
- ISSN :
- 03701328
- Volume :
- 86
- Database :
- OpenAIRE
- Journal :
- Proceedings of the Physical Society
- Accession number :
- edsair.doi...........7a9519ce3da492029b5f99ef74128e36