1. Orbital-dependent density functionals: Theory and applications.
- Author
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Kümmel, Stephan and Kronik, Leeor
- Subjects
- *
FUNCTIONALS , *DENSITY functionals , *MATHEMATICAL physics , *DENSITY - Abstract
This review provides a perspective on the use of orbital-dependent functionals, which is currently considered one of the most promising avenues in modern density-functional theory. The focus here is on four major themes: the motivation for orbital-dependent functionals in terms of limitations of semilocal functionals; the optimized effective potential as a rigorous approach to incorporating orbital-dependent functionals within the Kohn-Sham framework; the rationale behind and advantages and limitations of four popular classes of orbital-dependent functionals; and the use of orbital-dependent functionals for predicting excited-state properties. For each of these issues, both formal and practical aspects are assessed. [ABSTRACT FROM AUTHOR]
- Published
- 2008
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