A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure

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Alexander K H Weiss1, Christian Ochsenfeld1

  • 1Department of Chemistry (Theoretical Chemistry), LMU Munich, Butenandtstr. 7(C), D-81377, Munich, Germany.

Journal of Computational Chemistry
|May 15, 2015
PubMed

Keywords:
Boys functionsintegralsquantum chemistry

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