✦ LIBER ✦

Gaussian basis sets of quadruple zeta quality for potassium through xenon: application in CCSD(T) atomic and molecular property calculations

✍ Scribed by G. A. Ceolin, R. C. de Berrêdo, F. E. Jorge

Book ID: 120750220
Publisher: Springer
Year: 2013
Tongue: English
Weight: 302 KB
Volume: 132
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s00214-013-1339-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Triple zeta quality basis sets for atoms

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

✍ Campos, C.T.; Jorge, F.E. 📂 Article 📅 2012 🏛 Taylor and Francis Group 🌐 English ⚖ 272 KB

Gaussian basis set of double zeta qualit

Gaussian basis set of double zeta quality for atoms K through Kr: Application in DFT calculations of molecular properties

✍ 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