Calculation of Gaussian integrals using
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Paul Bracken; Rodney J. Bartlett
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Article
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1997
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John Wiley and Sons
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English
⚖ 191 KB
👁 1 views
The calculation of molecular integrals is extremely important for applications to such diverse areas as statistical mechanics and quantum chemistry. A careful derivation of a method for calculating primitive Gaussian integrals originally proposed by Obara and Saika is presented. The basic recursion