Spin-Density Functionals from Current-Density Functional Theory and Vice Versa:A Road towards New Approximations
- 10 March 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 78 (10) , 1872-1875
- https://doi.org/10.1103/physrevlett.78.1872
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.Keywords
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