Total valence correlation energies of first-row atoms, their anions and cations as well as their homonuclear dimers have been determined in all-electron and [He]-core pseudopotential calculations using the coupled-cluster method and large uncontracted basis sets containing up to g-type functions. Th
Pseudopotential calculations including core-valence correlation: Alkali compounds
✍ Scribed by P. Fuentealba; L.v. Szentpály; H. Stoll; F.X. Fraschio; H. Preuss
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 378 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0022-2860
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