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Consistency versus compatibility: a question of levels?

✍ Scribed by Alan Tero; Pamela Briggs


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
759 KB
Volume
40
Category
Article
ISSN
1071-5819

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Compatibility of correlation-consistent
✍ Raymond, Kevin S.; Wheeler, Ralph A. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 155 KB πŸ‘ 2 views

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