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Stability, continuity, and symmetry of variational wave‐functions
Author(s) -
Moiseyev N.,
Katriel J.
Publication year - 1976
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.560100612
Subject(s) - wave function , diatomic molecule , stability (learning theory) , ground state , symmetry (geometry) , limit (mathematics) , ab initio , simple (philosophy) , physics , quantum mechanics , hartree–fock method , mathematics , molecule , mathematical analysis , geometry , philosophy , epistemology , machine learning , computer science
Interrelations between the local and the global aspects of the stability, continuity, and symmetry properties of variational wave‐functions are discussed. The spherical limit of one‐electron diatomic molecules and the Hartree–Fock approximation of the ground state of the two‐electron atom are shown to exhibit the various concepts involved in an ab initio , yet sufficiently simple, manner.