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Behaviour of density functionals with respect to basis set: II. Polarization consistent basis sets

✍ Scribed by Wang, Nick X.; Wilson *, Angela K.


Book ID
111890152
Publisher
Taylor and Francis Group
Year
2005
Tongue
English
Weight
219 KB
Volume
103
Category
Article
ISSN
0026-8976

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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