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