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Performance of a nonempirical meta–generalized gradient approximation density functional for excitation energies

✍ Scribed by Tao, Jianmin; Tretiak, Sergei; Zhu, Jian-Xin


Book ID
121510676
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
255 KB
Volume
128
Category
Article
ISSN
0021-9606

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Description of core excitations by time-
✍ Yutaka Imamura; Takao Otsuka; Hiromi Nakai 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 143 KB 👁 1 views

## 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