How the mBJ calculation (wien2k) improves the band gap?

Djezzar Nor El Houda @Djezzar-Nor-El-Houda

24 June 2019 0 9K Report

Good morning everyone,

We all know that the mBJ improves the band gap by adding a potential value (potential of Becke-Roussel (BR)), but how physically this happens? i mean between electrons and orbitals ?

Thanks in advance.

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Science method

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