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Application of modified Neumann expansion for analytical evaluation of two-center,two-electron integrals over slater-type orbitals
Authors:Jan Budzi&#x  ski
Affiliation:Jan Budziński
Abstract:A modified form of the Neumann expansion in terms of products of orthogonal polynomials for the inverse interelectronic distance r112 is proposed. This expansion has been applied in order to derive a unified analytical formula for two-center and two-electron integrals over Slater-type orbitals. The results are equivalent to those given recently by Yasui and Saika, but the expansion itself can be used for building up a realistic algorithm for evaluation of three- and four-electron integrals determined by using correlated variational wave functions.
Keywords:
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