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Triple zeta quality basis sets for atoms Rb through Xe: application in CCSD(T) atomic and molecular property calculations

✍ Scribed by Campos, C.T.; Jorge, F.E.


Book ID
119953227
Publisher
Taylor and Francis Group
Year
2012
Tongue
English
Weight
272 KB
Volume
111
Category
Article
ISSN
0026-8976

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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