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USE OF BINOMIAL COEFFICIENTS IN FAST AND ACCURATE CALCULATION OF CLEBSCH-GORDAN AND GAUNT COEFFICIENTS, AND WIGNER n-j SYMBOLS
(World Scientific Publ Co Pte Ltd, 2009)
Using binomial coefficients, the new simple and efficient algorithms for the accurate and fast calculation of the Clebsch-Gordan and Gaunt coefficients, and Wigner n - j symbols for n = 3, 6, 9 are presented. For quick ...
Evaluation of the Boys function using analytical relations
The analytical relations for Boys function F-m (x) are presented. These relations are useful in the fast and more accurate calculations of multicenter molecular integrals over Gaussian type orbitals (GTOs). The formulas ...