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Molecular integrals arising in the use of the Hiller–Sucher–Feinberg–Harriman identity for describing the Fermi‐contact interaction
Author(s) -
Ishida Kazuhiro
Publication year - 1985
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.560280304
Subject(s) - gaussian , fermi gamma ray space telescope , identity (music) , atomic orbital , physics , fermi gas , molecular orbital , fermi contact interaction , statistical physics , theoretical physics , quantum mechanics , molecule , electron , acoustics
Abstract General formulas have been derived for molecular integrals arising in the use of the identity derived by Harriman for describing the Fermi‐contact interaction in a molecule. Computational aspects are discussed and numerical examples are shown for several sets of the usual Cartesian Gaussian‐type orbitals.