## Abstract Time‐dependent density functional theory (TDDFT) is employed to investigate exchange‐correlation‐functional dependence of the vertical core‐excitation energies of several molecules including H, C, N, O, and F atoms. For the local density approximation (LDA), generalized gradient approxi
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
✍ Scribed by Rüdiger Bauernschmitt; Reinhart Ahlrichs
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 646 KB
- Volume
- 256
- Category
- Article
- ISSN
- 0009-2614
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