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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…