Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties-Reference-Cited by-同舟云学术

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Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties

Published:2009-08-20 Issue:16 Volume:107 Page:1713-1727
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Machado S.F.,Camiletti G.G.,Neto A. Canal,Jorge F.E.,Jorge Raquel S.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268970903042258

Reference79 articles.

1. Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First‐Row Atoms

2. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation

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

4. Fully optimized contracted Gaussian basis sets for atoms Li to Kr

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