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Calculation in k space of integrals arising in the theory of Van der Waals forces. II. Formulas for arbitrary atoms
Author(s) -
Ishida Kazuhiro
Publication year - 1983
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.560240610
Subject(s) - van der waals force , coulomb , atomic orbital , operator (biology) , mathematical physics , recursion (computer science) , space (punctuation) , physics , fourier transform , fourier series , position and momentum space , quantum mechanics , mathematics , classical mechanics , mathematical analysis , chemistry , molecule , biochemistry , linguistics , philosophy , repressor , algorithm , transcription factor , gene , electron
Basic integrals arising in the momentum space formulation of the van der Waals forces are derived for arbitrary two atoms. These integrals are essentially the matrix elements of the Fourier transformed Coulomb operator and the Fourier transformed square of the Coulomb operator between any two Slater orbitals. The derivation is completely analytic and the results are expressed as finite series expansions in terms of auxiliary integrals. Recursion relations among the auxiliary integrals are developed.