46 citations · 161 across the 6 of their papers we have counts for
6 papers
Semilocal and Hybrid Density Embedding Calculations of Ground-State Charge-Transfer Complexes
S. Laricchia, E. Fabiano, F. Della Sala
We apply the frozen density embedding method, using a full relaxation of embedded densities through a freeze-and-thaw procedure, to study the electronic structure of several benchm…
Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory
A. Tanwar, E. Fabiano, P. E. Trevisanutto +2
We present a theoretical study of the ionization potential in small anionic gold clusters, using density functional theory, with and without exact-exchange, and many body perturbat…
Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations
E. Fabiano, F. Della Sala
We construct a reference benchmark set for atomic and molecular random-phase-approximation (RPA) correlation energies in a density functional theory (DFT) framework at the complete…
Spin-dependent gradient correction for more accurate atomization energies of molecules
L. A. Constantin, E. Fabiano, F. Della Sala
We discuss, simplify, and improve the spin-dependent correction of L.A. Constantin et al., Phys. Rev. B 84, 233103, for atomization energies, and develop a density parameter of the…
Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form
E. Fabiano, L. A. Constantin, F. Della Sala
We review the performance of the PBEint GGA functional (Phys. Rev. B 2010, 82, 113104) recently proposed to improve the description of hybrid interfaces, and we introduce its one-p…
Relevance of coordinate and particle-number scaling in density functional theory
Eduardo Fabiano, Lucian A. Constantin
We discuss a -dependent family of electronic density scalings of the form in the context of density functional theory. In particular, we consider t…