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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Numerical evaluation of electron repulsion integrals for pseudoatomic orbitals and their derivatives

Masayuki Toyoda1, Taisuke Ozaki

  • 1Research Center for Integrated Science, Japan Advanced Institute of Science and Technology, 1-1, Asahidai, Nomi, Ishikawa 932-1292, Japan. m-toyoda@jaist.ac.jp

The Journal of Chemical Physics
|April 2, 2009
PubMed

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