J
J. Rys
Researcher at University at Buffalo
Publications - 3
Citations - 905
J. Rys is an academic researcher from University at Buffalo. The author has contributed to research in topics: Orthogonal polynomials & Basis function. The author has an hindex of 3, co-authored 3 publications receiving 873 citations. Previous affiliations of J. Rys include State University of New York System.
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Evaluation of molecular integrals over Gaussian basis functions
TL;DR: This method is computationally simple and numerically well behaved, and has been incorporated into a new molecular SCF program HONDO, and preliminary tests indicate that it is competitive with existing methods especially for highly angularly dependent functions.
Journal ArticleDOI
Computation of electron repulsion integrals using the Rys quadrature method
TL;DR: A computational procedure is outlined for efficient evaluation of the two‐dimensional integrals Ix, Iy, and Iz, particularly fitted to handle high‐angular‐momentum basis functions.
Journal Article
Evaluation of molecular integrals over Gaussian basis functions
TL;DR: In this paper, an analysis based on the theory of orthogonal polynomials yields a general formula for basis functions of arbitrarily high angular momentum, which has been incorporated into a new molecular SCF program HONDO.