Application of modified Neumann expansion for analytical evaluation of two-center,two-electron integrals over slater-type orbitals |
| |
Authors: | Jan Budzi 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: | |
|
|