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Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr

✍ Scribed by Weigend, Florian; Furche, Filipp; Ahlrichs, Reinhart


Book ID
111938605
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
328 KB
Volume
119
Category
Article
ISSN
0021-9606

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Gaussian basis set of double zeta qualit
✍ G. G. Camiletti; S. F. Machado; F. E. Jorge 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 117 KB

## 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