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Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 28, 2011
Vibrational properties of vitreous GeSe2 with the Becke-Lee-Yang-Parr density functionalLuigi Giacomazzi, Carlo Massobrio, Alfredo Pasquarello
Physical Review Letters|February 7, 2003
Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrumP Umari, Xavier Gonze, Alfredo Pasquarello
Chemical Science|March 18, 2020
Picture of the wet electron: a localized transient state in liquid waterMichele Pizzochero, Francesco Ambrosio, Alfredo Pasquarello
Physical Chemistry Chemical Physics : PCCP|October 16, 2025
Electronic energy levels of aqueous hydroxyl speciesFrancesco Ambrosio, Wei Chen, Alfredo Pasquarello
Nature Communications|March 22, 2024
Dynamics of the charge transfer to solvent process in aqueous iodideJinggang Lan, Majed Chergui, Alfredo Pasquarello
The Journal of Chemical Physics|December 10, 2017
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid waterJulia Wiktor, Francesco Ambrosio, Alfredo Pasquarello
Npj Computational Materials|December 9, 2024
Range-separated hybrid functionals for accurate prediction of band gaps of extended systemsJing Yang, Stefano Falletta, Alfredo Pasquarello
Physical Review Letters|February 3, 2004
Dielectric discontinuity at interfaces in the atomic-scale limit: permittivity of ultrathin oxide films on siliconFeliciano Giustino, Paolo Umari, Alfredo Pasquarello
The Journal of Physical Chemistry Letters|March 30, 2022
One-Shot Approach for Enforcing Piecewise Linearity on Hybrid Functionals: Application to Band Gap PredictionsJing Yang, Stefano Falletta, Alfredo Pasquarello
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