Abstract
AbstractThe application of the Σ‐separation method to the calculation of multicenter two‐electron molecular integrals with Slater‐type basis functions is reported. The approach is based on the approximation of a scalar component of the two‐center atomic density by a two‐center expansion over Slater‐type functions. A least‐squares fit was used to determine the coefficients of the expansion. The angular multipliers of the atomic density were treated exactly. It is shown that this approach can serve as a sufficiently accurate and fast algorithm for the calculation of multicenter two‐electron molecular integrals with Slater‐type basis functions. © 1995 John Wiley & Sons, Inc.
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