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• W2062933808 abstract "The evaluation of nuclear attraction integrals with certain exponential-type orbitals (ETO's), the B functions [E. Filter and E.O. Steinborn, Phys. Rev. A 18 (1978) 1] has been programmed. The programs are based on a number of relatively compact general formulas for molecular integrals with B functions. These formulas can be derived using the Fourier transform method. B functions are particularly well suited for this method because they possess a very simple Fourier transform. Other ETO's like Slater-type orbitals (STO's) can be expressed as a finite linear combination of B functions. Hence, molecular integrals for other ETO's can be written as finite sums of integrals with B functions." @default.
• W2062933808 created "2016-06-24" @default.
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• W2062933808 date "1993-09-01" @default.
• W2062933808 modified "2023-09-23" @default.
• W2062933808 title "Programs for the evaluation of nuclear attraction integrals with B functions" @default.
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• W2062933808 doi "https://doi.org/10.1016/0010-4655(93)90042-b" @default.
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