Hellmann‐Feynman Theorem and Correlation Energies

Autor:	R. E. Stanton
Rok vydání:	1962
Předmět:	Physics Quantum mechanics Quantum electrodynamics Nuclear Theory General Physics and Astronomy Physics::Atomic Physics Physical and Theoretical Chemistry Wave function Hellmann–Feynman theorem Potential energy Dissociation (chemistry)
Zdroj:	The Journal of Chemical Physics. 36:1298-1300
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.1732731
Popis:	A proof is offered for the applicability of the Hellmann‐Feynman theorem to Hartree‐Fock wave functions. In conjunction with Sinanoglu'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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b8ce339883f38c931857fa9876188ff2 https://doi.org/10.1063/1.1732731 Zobrazit plný text záznamu