Computation of Fourier transform quantit
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Ante Graovac; Hendrik J. Monkhorst; M. L. Glasser
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Article
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1975
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John Wiley and Sons
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English
⚖ 683 KB
## Abstract An efficient method is presented to compute the Fourier transforms of lattice sums over Slater‐type orbital products that arise in crystal Hartree–Fock calculations. Introduction of one‐dimensional integral representations for the Fourier transforms of the STO'S enables a separation of