The present study examines the feasibility of combining the correlation-consistent basis sets developed by Dunning and coworkers with the hybrid Hartree᎐Fockrdensity functional method B3LYP. Furthermore, Ž . extrapolation to the complete basis set CBS limit minimizes errors due to the presence of an
A comparison of correlation-consistent and Pople-type basis sets
✍ Scribed by Charles W. Bauschlicher Jr.; Harry Partridge
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 461 KB
- Volume
- 245
- Category
- Article
- ISSN
- 0009-2614
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