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The Journal of Physical Chemistry Letters|October 28, 2017
Predictive Determination of Band Gaps of Inorganic Halide PerovskitesJulia Wiktor, Ursula Rothlisberger, Alfredo Pasquarello
Physical Review Letters|October 4, 2005
Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectraLuigi Giacomazzi, P Umari, Alfredo Pasquarello
The Journal of Physical Chemistry Letters|May 31, 2018
Absolute Energy Levels of Liquid WaterFrancesco Ambrosio, Zhendong Guo, Alfredo Pasquarello
Nature Communications|May 11, 2023
Many-body screening effects in liquid waterIgor Reshetnyak, Arnaud Lorin, Alfredo Pasquarello
Proceedings of the National Academy of Sciences of the United States of America|March 1, 2024
Absolute energy levels of liquid water from many-body perturbation theory with effective vertex correctionsAlexey Tal, Thomas Bischoff, Alfredo Pasquarello
Physical Review Letters|September 4, 2008
Defect energy levels in density functional calculations: alignment and band gap problemAudrius Alkauskas, Peter Broqvist, Alfredo Pasquarello
Physical Review Letters|October 13, 2007
Proton-induced fixed positive charge at the Si(100)-SiO2 interfaceJulien Godet, Feliciano Giustino, Alfredo Pasquarello
Journal of Physics. Condensed Matter : an Institute of Physics Journal|November 6, 2014
Origin of Fermi-level pinning at GaAs surfaces and interfacesDavide Colleoni, Giacomo Miceli, Alfredo Pasquarello
Nature Communications|July 4, 2026
Dielectric-dependent hybrid functional based on meta-GGAStefan Riemelmoser, Xun Xu, Alfredo Pasquarello
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