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A general formulation for the efficient evaluation of n-electron integrals over products of Gaussian charge distributions with Gaussian geminal functions

✍ Scribed by Komornicki, Andrew; King, Harry F.

Book ID: 120439884
Publisher: American Institute of Physics
Year: 2011
Tongue: English
Weight: 762 KB
Volume: 134
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3600745

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## Abstract We propose a unified procedure for evaluating a variety of one‐electron integrals and their (arbitrary‐order) geometric derivatives by using a generalized one‐electron operator, which is formed as the product of four operators: (1) a scalar depending on the displacement of the two basis