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Calculation in K space of integrals arising in the theory of Van Der Waals forces
Author(s) -
Malinowski P.,
Tanner A. C.,
Lee K. F.,
Linder B.
Publication year - 1982
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.560210409
Subject(s) - van der waals force , space (punctuation) , coulomb , fourier transform , slater integrals , operator (biology) , physics , position and momentum space , mathematical physics , reduction (mathematics) , quantum mechanics , classical mechanics , mathematics , chemistry , geometry , repressor , molecule , transcription factor , gene , electron , linguistics , philosophy , biochemistry
We derive basic integrals needed for calculation of matrix elements of the Fourier transformed Coulomb operator and the Fourier transformed square of the Coulomb operator between 1 s Slater functions. These integrals arise, for example, in the momentum space ( k space) susceptibility formulation of van der Waals forces. The advantages of integration in k space (rather than r space) are that in k space there is a drastic reduction in the number of integration variables, and contour integration can be used. The derivation is completely analytic and the auxiliary integrals are all obtained in closed form.