Orbital-dependent density functionals: Theory and applications

Stephan Kümmel and Leeor Kronik
Rev. Mod. Phys. 80, 3 – Published 2 January 2008

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.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
4 More

    DOI:https://doi.org/10.1103/RevModPhys.80.3

    ©2008 American Physical Society

    Authors & Affiliations

    Stephan Kümmel*

    • Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany

    Leeor Kronik

    • Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel

    • *stephan.kuemmel@uni-bayreuth.de
    • leeor.kronik@weizmann.ac.il

    Article Text (Subscription Required)

    Click to Expand

    References (Subscription Required)

    Click to Expand
    Issue

    Vol. 80, Iss. 1 — January - March 2008

    Reuse & Permissions
    Access Options

    Authorization Required


    ×
    ×

    Images

    ×

    Sign up to receive regular email alerts from Reviews of Modern Physics

    Log In

    Cancel
    ×

    Search


    Article Lookup

    Paste a citation or DOI

    Enter a citation
    ×