Density-Functional Theory of the Energy Gap
- 14 November 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 51 (20), 1888-1891
- https://doi.org/10.1103/physrevlett.51.1888
Abstract
The energy-band gap of an insulator is obtained from the eigenvalues of the one-particle density-functional equation for the ground state and a finite correction due to the discontinuity of the functional derivative of the exchange and correlation energy. This correction is expressed in terms of the improper self-energy and the density-functional exchange-correlation potential. It is evaluated for a two-plane-wave model including exchange only.Keywords
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