155 citations · 518 across the 10 of their papers we have counts for
10 papers
Real-space grid representation of momentum and kinetic energy operators for electronic structure calculations
Domenico Ninno, Giovanni Cantele, Fabio Trani
We show that the central finite difference formula for the first and the second derivative of a function can be derived, in the context of quantum mechanics, as matrix elements of…
High critical temperature nodal superconductors as building block for time-reversal invariant topological superconductivity
Fabio Trani, Gabriele Campagnano, Arturo Tagliacozzo +1
We study possible applications of high critical temperature nodal superconductors for the search for Majorana bound states in the DIII class. We propose a microscopic analysis of t…
Effects of polarization on the band-structure of delafossite transparent conductive oxides
Julien Vidal, Fabio Trani, Fabien Bruneval +2
We use hybrid functionals and restricted self-consistent GW, state-of-the-art theoretical approaches for quasiparticle band structures, to study the electronic states of delafossit…
Density functional study of oxygen vacancies at the SnO2 surface and subsurface sites
F. Trani, M. Causa', D. Ninno +2
Oxygen vacancies at the SnO2(110) and (101) surface and subsurface sites have been studied in the framework of density functional theory by using both all-electron Gaussian and pse…
Screening in semiconductor nanocrystals: \textit{Ab initio} results and Thomas-Fermi theory
F. Trani, D. Ninno, G. Cantele +4
A first-principles calculation of the impurity screening in Si and Ge nanocrystals is presented. We show that isocoric screening gives results in agreement with both the linear res…
Ab initio calculations of electron affinity and ionization potential of carbon nanotubes
F. Buonocore, F. Trani, D. Ninno +3
By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential…