activity
20002026
most citedAccurate and efficient band gap predictions of metal halide perovskites using the DFT-1/2 method: GW accuracy with DFT expense

188 citations · 270 across the 9 of their papers we have counts for

collaborators
Showing 2019Show all

1 paper · 1 filter

cond-mat.mtrl-sci2019★ 22 cited

Quantitative Predictions of Photoelectron Spectra in Amorphous Molecular Solids from Multiscale Quasiparticle Embedding

Gianluca Tirimbo, Xander de Vries, Christ H. L. Weijtens +3

We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the Ultraviolet Photoelectron Spectroscopy (UPS) spectra…