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
✦ LIBER ✦
A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation- and time-dependent basis sets
✍ Scribed by Thorvaldsen, Andreas J.; Ruud, Kenneth; Kristensen, Kasper; Jo̸rgensen, Poul; Coriani, Sonia
- Book ID
- 115440702
- Publisher
- American Institute of Physics
- Year
- 2008
- Tongue
- English
- Weight
- 675 KB
- Volume
- 129
- Category
- Article
- ISSN
- 0021-9606
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