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Meta-generalized gradient approximation: non-empirical construction and performance of a density functional

✍ Scribed by Tao, J.; Perdew, J. P.; Ruzsinszky, A.; Scuseria, G. E.; Csonka, G. I.; Staroverov, V. N.


Book ID
121250091
Publisher
Taylor and Francis Group
Year
2007
Tongue
English
Weight
357 KB
Volume
87
Category
Article
ISSN
1478-6435

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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