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The band gap discontinuity in DFT?
Hi everybody...
I've read about the band gap problem of Density functional theory, there is a discontinuity of the band gap when an electron add to the Kohn-Sham system I have two questions could anybody answer me? please
1- why this discontinuity happens anyway?
2- why we need to add an electron to the Kohn-Sham system to calculate the band gap?
with my regards
Nawzad A.
Hi everybody...
I've read about the band gap problem of Density functional theory, there is a discontinuity of the band gap when an electron add to the Kohn-Sham system I have two questions could anybody answer me? please
1- why this discontinuity happens anyway?
2- why we need to add an electron to the Kohn-Sham system to calculate the band gap?
with my regards
Nawzad A.