7.7k citations · 11.1k across the 41 of their papers we have counts for
45 papers
Efficient GW calculations via the interpolation of the screened interaction in momentum and frequency space: The case of graphene
Alberto Guandalini, Dario A. Leon, Pino D'Amico +4
The GW self-energy may become computationally challenging to evaluate because of frequency and momentum convolutions. These difficulties were recently addressed by the development…
Quenching of low-energy optical absorption in bilayer CN polytypes
Matteo Zanfrognini, Miki Bonacci, Fulvio Paleari +5
In this work we provide a first principles description of the electronic and optical properties of bilayers CN, with different stacking motifs AB, AB and AA. Starting fro…
koopmans: an open-source package for accurately and efficiently predicting spectral properties with Koopmans functionals
Edward Linscott, Nicola Colonna, Riccardo De Gennaro +5
Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional fr…
Excitonic effects in energy loss spectra of freestanding graphene
Alberto Guandalini, Ryosuke Senga, Yung-Chang Lin +8
In this work we perform electron energy-loss spectroscopy (EELS) of freestanding graphene with high energy and momentum resolution to disentangle the quasielastic scattering from t…
Efficient full frequency GW for metals using a multipole approach for the dielectric screening
Dario A. Leon, Andrea Ferretti, Daniele Varsano +2
The properties of metallic systems with important and structured excitations at low energies, such as Cu, are challenging to describe with simple models like the plasmon pole appro…
Graphene decoupling through oxygen intercalation on Gr/Co and Gr/Co/Ir interfaces
Dario A. Leon, Andrea Ferretti, Daniele Varsano +2
We perform a density functional theory study of the effects of oxygen adsorption on the structural and electronic properties of Gr/Co(0001) and Gr/Co/Ir(111) interfaces. In both in…