Simple Procedure for Open Shell SCF Molecular Orbital Computations
- 15 November 1972
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 57 (10) , 4351-4353
- https://doi.org/10.1063/1.1678074
Abstract
A simple device for use with open shell SCF computations is proposed. This method eliminates the nonphysical elements in the usual method and leaves a simple operator which is easily computed or approximated.Keywords
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