The performance of four commonly used density functionals VWN, BLYP, BP91, and Becke's original three-parameter approximation to the adiabatic connection formula, referred to herein as the adiabatic connection method or . w ACM was studied with a series of six Gaussian-type atomic basis sets DZP, Ε½
β¦ LIBER β¦
Assessment of Basis Set and Functional Dependencies in Density Functional Theory: Studies of Atomization and Reaction Energies
β Scribed by Martell, Jaime M.; Goddard, John D.; Eriksson, Leif A.
- Book ID
- 120974671
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 117 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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