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cond-mat.mtrl-sci2024★ 28 cited
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional Theory
Yu Jin, Mariami Rusishvili, Marco Govoni +1
We present a theoretical study of the formation of self-trapped excitons (STEs) and the associated broadband emission in metal-halide perovskites CsSnBr and CsAgInCl$_6…
cond-mat.mtrl-sci2020
Machine Learning Dielectric Screening for the Simulation of Excited State Properties of Molecules and Materials
Sijia S. Dong, Marco Govoni, Giulia Galli
Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving th…