Spin-density functionals from current-density functional theory and vice versa: A road towards new approximations

K. Capelle, E. K.U. Gross

Research output: Contribution to journalArticlepeer-review

85 Scopus citations

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.

Original languageAmerican English
Pages (from-to)1872-1875
Number of pages4
JournalPhysical Review Letters
Volume78
Issue number10
DOIs
StatePublished - 1997
Externally publishedYes

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