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Formulation of the LCAS MS SCF method within the Gaussian basis set

✍ Scribed by Szczepan Roszak; Henryk Chojnacki

Book ID: 104579872
Publisher: John Wiley and Sons
Year: 1980
Tongue: English
Weight: 195 KB
Volume: 18
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560180112

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Within the presented LCAS MS (linear combination of atomic spinors–molecular spinors) SCF formalism both large and small components of the spinor radial parts have been expanded within the Gaussian basis set. The respective expressions for matrix elements as well as for one‐ and two‐electron integrals are given.

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