## Abstract Time‐dependent density functional (TD‐DFT) and perturbation theory‐based outer valence Green functions (OVGF) methods have been tested for calculations of excitation energies for a set of radicals, molecules, and model clusters simulating points defects in silica. The results show that
✦ LIBER ✦
Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies
✍ Scribed by Isegawa, Miho; Peverati, Roberto; Truhlar, Donald G.
- Book ID
- 118217500
- Publisher
- American Institute of Physics
- Year
- 2012
- Tongue
- English
- Weight
- 647 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0021-9606
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