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Molecular integrals of Breit interaction over Laguerre Gaussian‐type functions
Author(s) -
Fujimura Naoki,
Matsuoka Osamu
Publication year - 1992
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.560420415
Subject(s) - laguerre polynomials , gaussian , coulomb , type (biology) , spherical harmonics , homogeneous , physics , slater integrals , harmonic , mathematical physics , mathematical analysis , quantum mechanics , mathematics , statistical physics , biology , ecology , electron
The Breit interaction consists of two interactions of the magnetic and the retardation terms. The molecular integrals involving the former interaction are shown to be reduced to the familiar integrals of the Coulomb repulsion. The integrals involving the latter interaction are formulated over the Laguerre Gaussian‐type functions and some advantages of the formulation are discussed. Bayman's gradient formula of the solid spherical harmonic is generalized to include the gradient of the homogeneous solid spherical harmonic.