Evaluation of molecular integrals over Gaussian basis functions
This paper is concerned with the efficient computation of the ubiquitous electron repulsion integral in molecular quantum mechanics. Differences and similarities in organization...
Publications
2 shownComputation of electron repulsion integrals using the rys quadrature method
Abstract Following an earlier proposal to evaluate electron repulsion integrals over Gaussian basis functions by a numerical quadrature based on a set of orthogonal polynomials ...
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Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 1,008
- Institution
- University at Buffalo, State University of New York
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h-index
2
h-index: Number of publications with at least h citations each.