DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 516, 4 January 2019, Pages 225-231

Noemí Hernández-Haro, Joaquín Ortega-Castro, Yaroslav B. Martynov, Rashid G. Nazmitdinov, Antonio Frontera,