## Abstract Timeโdependent density functional theory (TDDFT) is employed to investigate exchangeโcorrelationโfunctional dependence of the vertical coreโexcitation energies of several molecules including H, C, N, O, and F atoms. For the local density approximation (LDA), generalized gradient approxi
โฆ LIBER โฆ
Thermally-assisted-occupation density functional theory with generalized-gradient approximations
โ Scribed by Chai, Jeng-Da
- Book ID
- 121842724
- Publisher
- American Institute of Physics
- Year
- 2014
- Tongue
- English
- Weight
- 966 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0021-9606
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