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Fully optimized contracted Gaussian basis sets for atoms Li to Kr

✍ Scribed by Schäfer, Ansgar; Horn, Hans; Ahlrichs, Reinhart


Book ID
111950599
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
794 KB
Volume
97
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES


Compact contracted basis sets for third-
✍ R. C. Binning Jr.; L. A. Curtiss 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 856 KB

The (14sllp5d) primitive basis set of Dunning for the third-row main group atoms Ga-Kr has been contracted [6s4pld]. The core functions have been relatively highly contracted while those which represent the valence region have been left uncontracted to maintain flexibility. Calculations with the [Gs