Relationships Between Orbital Energies, Optical and Fundamental Gaps, and Exciton Shifts in Approximate Density Functional Theory and Quasiparticle Theory
Shu, Yinan, Truhlar, Donald G.Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00320
Date:
May, 2020
File:
PDF, 1.08 MB
2020