GW -approximation energies and Hartree-Fock bands of semiconductors
1991; American Physical Society; Volume: 44; Issue: 3 Linguagem: Inglês
10.1103/physrevb.44.1057
ISSN1095-3795
Autores Tópico(s)Advanced Chemical Physics Studies
ResumoGW-approximation calculations have been performed for diamond, silicon, germanium, gallium arsenide, and indium phosphide using refined numerical techniques. We obtained good but not perfect agreement of the GW-approximation energies with experiment. Exchange- and correlation-energy contributions and the Hartree-Fock bands of these substances have also been calculated.
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