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Density functionals beyond the local density approximation

✍ Scribed by L. J. Sham

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 254 KB
Volume: 28
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560280845

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📜 SIMILAR VOLUMES

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## 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