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Generalized Hartree‐Slater theory: Lower bounds to hartree‐fock energies
Author(s) -
Golden Sidney
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560180817
Subject(s) - hartree–fock method , generalization , hartree , upper and lower bounds , quantum mechanics , computational chemistry , chemistry , physics , mathematics , mathematical analysis
A generalization of Hartree theory derived recently provides rigorous upper bounds for the Hartree‐Fock energies of electronic systems. Augmentation of this theory by a practical lower bound for correlation‐exchange energies yields a generalization of Hartree‐Slater theory which provides lower bounds for Hartree‐Fock energies.
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