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Total-energy all-electron density functional method for bulk solids and surfaces

✍ Scribed by Weinert, M.; Wimmer, E.; Freeman, A. J.

Book ID
121354902
Publisher
The American Physical Society
Year
1982
Tongue
English
Weight
366 KB
Volume
26
Category
Article
ISSN
1098-0121

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## Abstract Time‐dependent density functional (TD‐DFT) and perturbation theory‐based outer valence Green functions (OVGF) methods have been tested for calculations of excitation energies for a set of radicals, molecules, and model clusters simulating points defects in silica. The results show that