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The half-projected Hartree-Fock method

✍ Scribed by P. Anthony Cox; Melvyn H. Wood

Publisher
Springer
Year
1976
Tongue
English
Weight
393 KB
Volume
41
Category
Article
ISSN
1432-2234

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## Abstract The possible uses of the half‐projected Hartree–Fock (HPHF) scheme for computing potential‐energy surfaces for both singlet and triplet states are investigated. For that purpose, a new procedure based on the simultaneous solution of two eigenvalue equations is presented for calculating

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## Abstract The half‐projected Hartree–Fock function (HPHF) for singlet states is defined as a linear combination of two Slater determinants which contains only spin eigenstates with even spin quantum numbers. The possible uses of such an approach for determining molecular properties are investigat