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Efficient calculation of two-electron integrals for high angular basis functions

โœ Scribed by Yasuda, Koji; Maruoka, Hironori

Book ID
121684433
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
486 KB
Volume
114
Category
Article
ISSN
0020-7608

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We consider the problem of developing OรฐNรž scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atomcentered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creatio