Standard and augmented correlation consistent sextuple zeta cc-pV6Z . and aug-cc-pV6Z basis sets have been determined for the second-row atoms aluminum through argon. Using these sets, dissociation energies and spectroscopic constants for the ground states of HCl, PN, and P have been calculated usi
β¦ LIBER β¦
Gaussian basis set of sextuple zeta quality for hydrogen through argon
β Scribed by C.T. Campos; G.A. Ceolin; A. Canal Neto; F.E. Jorge; F.N.N. Pansini
- Book ID
- 113555194
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 216 KB
- Volume
- 516
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Gaussian basis sets for use in correlate
β
Tanja Van Mourik; Thom H. Dunning Jr.
π
Article
π
2000
π
John Wiley and Sons
π
English
β 399 KB
Medium-size Gaussian basis sets for hydr
β
Toshikatsu Koga; Ajit J. Thakkar
π
Article
π
1993
π
Springer
π
English
β 197 KB
Gaussian basis sets for use in correlate
β
Angela K. Wilson; Tanja van Mourik; Thom H. Dunning Jr.
π
Article
π
1996
π
Elsevier Science
π
English
β 747 KB
Contracted gaussian basis sets for sodiu
β
Toshikatsu Koga; Maki Saito; Ruth E. Hoffmeyer; Ajit J. Thakkar
π
Article
π
1994
π
Elsevier Science
π
English
β 756 KB
Gaussian basis sets of quadruple zeta va
β
Weigend, Florian; Furche, Filipp; Ahlrichs, Reinhart
π
Article
π
2003
π
American Institute of Physics
π
English
β 328 KB
Gaussian basis set of double zeta qualit
β
G. G. Camiletti; S. F. Machado; F. E. Jorge
π
Article
π
2008
π
John Wiley and Sons
π
English
β 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 Gaussianβtype functions generated in atomic HartreeβFock calculations. Sets of Gaussian polarization functions optimized at the M