Pair Correlations in Closed-Shell Systems
- 1 January 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 40 (1), 80-85
- https://doi.org/10.1063/1.1724899
Abstract
Pair function equations have been derived exactly for a restricted class of trial functions containing only closed‐orbital pair correlations. In a matrix representation, it is shown that they reduce to a homogeneous pseudo‐eigenvalue equation. The results are equally applicable to any set of unitarily transformed set of Hartree—Fock orbitals. Comparisons are made with the Sinanoğlu scheme, and computational problems are discussed.Keywords
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