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- W2035590909 abstract "The 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." @default.
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- W2035590909 date "1995-07-05" @default.
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- W2035590909 title "Calculation of multicenter electron repulsion integrals in Slater-type basis sets using the ?-separation method" @default.
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- W2035590909 doi "https://doi.org/10.1002/qua.560550104" @default.
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