Abstract
We obtain an accurate density-functional exchange-correlation potential, , for silicon, from calculations of the self-energy . No local-density approximation (LDA) is used for . The band structure with this is in remarkably close agreement with that obtained with the LDA, while both differ significantly from the quasiparticle spectrum of . The 50% band-gap error found in LDA calculations is therefore not caused by the LDA but by the discontinuity, , in the exact on addition of an electron.
- Received 10 February 1986
DOI:https://doi.org/10.1103/PhysRevLett.56.2415
©1986 American Physical Society