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• W2015515667 startingPage "3688" @default.
• W2015515667 abstract "In this paper a unified analytical treatment of overlap, two-center nuclear attraction, and Coulomb integrals of B functions [E. Filter and E. O. Steinborn, Phys. Rev. A 18, 1 (1978)] via the Fourier-transform method is presented. B functions, which are a special class of exponentially decreasing functions (for large arguments), have a relatively complicated analytical structure. However, the Fourier transform of a B function is of exceptional simplicity. Consequently, it is relatively easy to express the Fourier integral representations of the two-center integrals mentioned above as finite sums or infinite series of Fourier integral representations for B functions and irregular solid harmonics which may be considered to be limiting cases of special B functions. The only advanced mathematical concepts which we need are the connection between B functions, classically divergent Fourier integrals, and derivatives of the three-dimensional ensuremath{delta} functions. The other mathematical tools---partial-fraction decompositions and Taylor expansions of rational functions---are fairly elementary. Our approach leads not only to a considerable simplification of the derivation of the previously known analytical representations for the two-center integrals but also to a large number of hitherto unknown representations." @default.
• W2015515667 created "2016-06-24" @default.
• W2015515667 creator A5036902754 @default.
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• W2015515667 date "1986-06-01" @default.
• W2015515667 modified "2023-10-17" @default.
• W2015515667 title "Unified analytical treatment of overlap, two-center nuclear attraction, and Coulomb integrals of<i>B</i>functions via the Fourier-transform method" @default.
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• W2015515667 doi "https://doi.org/10.1103/physreva.33.3688" @default.
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