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, Ž
Kohn—Sham density-functional theory within a finite basis set
✍ Scribed by John A. Pople; Peter M.W. Gill; Benny G. Johnson
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 283 KB
- Volume
- 199
- Category
- Article
- ISSN
- 0009-2614
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