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Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

✍ Scribed by Schäfer, Ansgar; Huber, Christian; Ahlrichs, Reinhart

Book ID: 115504157
Publisher: American Institute of Physics
Year: 1994
Tongue: English
Weight: 826 KB
Volume: 100
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.467146

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📜 SIMILAR VOLUMES

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Gaussian basis set of double zeta qualit

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## Abstract Contracted basis sets of double zeta (DZ) quality for the atoms from K to Kr are presented. They were determined from fully optimized basis sets of primitive Gaussian‐type functions generated in atomic Hartree‐Fock calculations. Sets of Gaussian polarization functions optimized at the M