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Non‐linear transformations for rapid and efficient evaluation of multicenter bielectronic integrals over B functions

✍ Scribed by H. Safouhi; P.E. Hoggan

Book ID: 110385018
Publisher: Springer
Year: 1999
Tongue: English
Weight: 183 KB
Volume: 25
Category: Article
ISSN: 0259-9791
DOI: 10.1023/a:1019101020660

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📜 SIMILAR VOLUMES

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Efficient evaluation of integrals for density functional theory: Nonlinear D transformations to evaluate three-center nuclear attraction integrals over B functions

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Density functional theory requires precise numerical values for three- ## Ž . center nuclear attraction integrals, best obtained over Slater-type orbitals STOs . Efficient evaluation of three-center nuclear attraction integrals over STOs to predetermined accuracy is made possible by applying the