Self-Consistent-Field Theory. II. The LCAO Approximation
- 1 June 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 40 (11) , 3203-3206
- https://doi.org/10.1063/1.1724985
Abstract
In Part I of this series, eigenvalue equations which apply to any electronic system were developed by means of a general coupling operator. These equations are here adapted to the method of linear combinations of atomic orbitals. The resultant matrix equations are applied to the helium atom for the configurations: 1S, (1s)2; 3S, (1s) (2s); 1S, (1s) (2s), using Slater 1s and 2s orbitals as basis functions.Keywords
This publication has 3 references indexed in Scilit:
- Self-Consistent-Field Theory. I. General TreatmentThe Journal of Chemical Physics, 1963
- Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron CorrelationsThe Journal of Chemical Physics, 1962
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951