Spin Properties of Pair-Correlated Atomic and Molecular Singlet Wavefunctions
- 15 January 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 40 (2) , 595-602
- https://doi.org/10.1063/1.1725164
Abstract
The recent work of Sinanoğlu upon pair‐correlated wavefunctions is considered. We derive the conditions required for his wavefunction to be a spin singlet, and then relate these conditions to his theory. In particular, we show them to be satisfied to an approximation consistent with those used in deriving his ``exact pair'' theory. An error in the original integral breakdown is also pointed out and shown to have little effect on the results of the theory.Keywords
This publication has 12 references indexed in Scilit:
- Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron CorrelationsThe Journal of Chemical Physics, 1962
- Variation-Perturbation Method for Excited StatesPhysical Review B, 1961
- Approximate Wave Functions for Atomic BePhysical Review B, 1960
- Correlated Orbitals for the Ground State of Heliumlike SystemsReviews of Modern Physics, 1960
- Self-Consistent Field Theory for Open Shells of Electronic SystemsReviews of Modern Physics, 1960
- Correlated Orbitals for the Ground State of the Hydrogen MoleculeReviews of Modern Physics, 1960
- Analytical Self-Consistent Field Functions for the Atomic Configurations , , andReviews of Modern Physics, 1960
- Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule ProgramReviews of Modern Physics, 1960
- Configuration Interaction in the Lithium Hydride Molecule. II. An SCF LCAO-MO ApproachThe Journal of Chemical Physics, 1959
- Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumThe European Physical Journal A, 1929