✦ LIBER ✦
Accurate atomic Gaussian basis functions for second-row atoms: Small split-valence 3-21SP and 4-22SP basis sets
✍ Scribed by Mitin, Alexander V.; Hirsch, Gerhard; Buenker, Robert J.
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 155 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
Small split-valence Gaussian 3-21SP and 4-22SP basis sets, w Ž .x previously reported for the first-row atoms Chem. Phys. Lett., 229, 151 1996 , have been extended for the second-row elements of the Periodic Table . The total energies of the ground states of the second-row atoms calculated with the new basis sets are significantly lower than those obtained with the well-known 3-21G Ž Ž . x w Ž .x