Spin-Density Functionals from Current-Density Functional Theory and Vice Versa:A Road towards New Approximations

K. Capelle and E. K. U. Gross
Phys. Rev. Lett. 78, 1872 – Published 10 March 1997
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Abstract

It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional.

  • Received 9 August 1996

DOI:https://doi.org/10.1103/PhysRevLett.78.1872

©1997 American Physical Society

Authors & Affiliations

K. Capelle and E. K. U. Gross

  • Institut für Theoretische Physik, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany

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Vol. 78, Iss. 10 — 10 March 1997

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