## Abstract Comparison of the molecular __Q__‐optimized and molecular gradient optimized carbon basis sets for CH**4** showed that molecular __Q__ optimization is an excellent substitute to the more expensive molecular gradient optimization. The parameter __Q__ of the __Q__ optimization is related
Cubic-grid Gaussian basis sets for electron scattering calculations IV
✍ Scribed by Vojtěch Hrouda; Martin Polášek; Petr Čársky; Josef Michl
- Publisher
- Springer
- Year
- 1994
- Tongue
- English
- Weight
- 591 KB
- Volume
- 89
- Category
- Article
- ISSN
- 1432-2234
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