Description of core excitations by time-
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Yutaka Imamura; Takao Otsuka; Hiromi Nakai
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Article
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2007
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John Wiley and Sons
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English
β 143 KB
π 1 views
## 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