Abstract
A functional is presented, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states. A simple local parametrization scheme is proposed, entirely from first-principles, based on the decomposition of the exchange-correlation hole in scattering states of different relative energies. In its practical Kohn-Sham-like form, the single-electron orbitals become the independent variables, and an explicit formula for the functional derivative is obtained.
- Received 7 October 2003
DOI:https://doi.org/10.1103/PhysRevB.69.195101
©2004 American Physical Society