## Abstract Timeβdependent density functional theory (TDDFT) is employed to investigate exchangeβcorrelationβfunctional dependence of the vertical coreβexcitation energies of several molecules including H, C, N, O, and F atoms. For the local density approximation (LDA), generalized gradient approxi
β¦ LIBER β¦
Efficient time-dependent density functional theory approximations for hybrid density functionals: Analytical gradients and parallelization
β Scribed by Petrenko, Taras; Kossmann, Simone; Neese, Frank
- Book ID
- 118238298
- Publisher
- American Institute of Physics
- Year
- 2011
- Tongue
- English
- Weight
- 638 KB
- Volume
- 134
- Category
- Article
- ISSN
- 0021-9606
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