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Parallelization of three-center electron repulsion integrals

✍ Scribed by Patrizia Calaminici; Victor D. Domínguez-Soria; Gerald Geudtner; Elizabeth Hernández-Marín; Andreas M. Köster

Publisher
Springer
Year
2005
Tongue
English
Weight
109 KB
Volume
115
Category
Article
ISSN
1432-2234

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## Abstract General formulas are obtained for evaluating a basic type of one‐center two‐electron integral which arises in the computation of expectation values of spin‐spin and spin‐orbit operators over explicitly correlated wave functions. The correlation terms are assumed to be in the form of pro