March 1, 1962

Hellmann-Feynman Theorem and Correlation Energies

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Abstract

A proof is offered for the applicability of the Hellmann-Feynman theorem to Hartree-Fock wave functions. In conjunction with Sinanoğlu's theory of correlation energies, this leads to the idea that Hartree-Fock potential energy surfaces and exact potential energy surfaces are parallel over short distances. Finally, a new method of calculating dissociation energies is presented.

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Richard Stanton (Thu,) studied this question.

synapsesocial.com/papers/6a0ef27306ecbe833447fefe https://doi.org/https://doi.org/10.1063/1.1732731

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