Evaluation of GTO molecular integrals
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Frank E. Harris
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Article
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1983
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John Wiley and Sons
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English
β 491 KB
## Abstract Methods for evaluating the function __F~m~__(__t__) occurring in molecular integrals over Gaussianβtype orbitals are reviewed and extended. Formulas based on Bessel function and continuedβfraction expansions are analyzed. The recommended evaluation procedures, embodied in a portable com