We present a library of Gaussian basis sets that has been specifically optimized to perform accurate molecular calculations based on density functional theory. It targets a wide range of chemical environments, including the gas phase, interfaces, and the condensed phase. These generally contracted b
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
✍ Scribed by VandeVondele, Joost; Hutter, Jürg
- Book ID
- 120033615
- Publisher
- American Institute of Physics
- Year
- 2007
- Tongue
- English
- Weight
- 383 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0021-9606
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