Electron correlation and the band gap in ionic crystals

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Abstract
The band gap and quasiparticle energies in LiCl are calculated by evaluation of the electron self-energy operator including the effects of local fields and dynamic screening from first principles. Good agreement with available experimental data is obtained. In particular, the calculated band gap for bulk transitions (8.9 eV) is within 5% of the experimental result. Comparison with our previous study of homopolar materials shows that the same theoretical picture describes the electron correlation in both cases.