Can I calculate the band gap (HOMO-LUMO) of metal cation using DFT calculations?

Currently, I am interested to calculate the band gap of divalent metal cations like Pb2+, Sn2+, Ge2+ and some anions like I-, Br-, Cl-. Please tell me, will it be efficient to calculate the band...

03 January 2018 1,773 4 View