82 citations · 341 across the 8 of their papers we have counts for
8 papers
The interaction-strength interpolation method for main-group chemistry: benchmarking, limitations, and perspectives
E. Fabiano, P. Gori-Giorgi, M. Seidl +1
We have tested the original interaction-strength-interpolation (ISI) exchange-correlation functional for main group chemistry. The ISI functional is based on an interpolation betwe…
Kohn-Sham Kinetic Energy Density in the Nuclear and Asymptotic Regions: Deviations from the Von Weizsäcker Behavior and Applications to Density Functionals
F. Della Sala, E. Fabiano, L. A. Constantin
We show that the Kohn-Sham positive-definite kinetic energy (KE) density significantly differs from the von Weizsäcker (VW) one at the nuclear cusp as well as in the asymptotic reg…
Gradient-dependent upper bound for the exchange-correlation energy and application to density functional theory
L. A. Constantin, E. Fabiano, A. Terentjevs +1
We propose a simple gradient-dependent bound for the exchange-correlation energy (sLL), based on the recent non-local bound derived by Lewin and Lieb. We show that sLL is equivalen…
Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method
I. Grabowski, E. Fabiano, A. Teale +3
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of sin…
Wave-function and density functional theory studies of dihydrogen complexes
E. Fabiano, L. A. Constantin, F. Della Sala
We performed a benchmark study on a series of dihydrogen bond complexes and constructed a set of reference bond distances and interaction energies. The test set was employed to ass…
Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap model
E. Fabiano, P. E. Trevisanutto, A. Terentjevs +1
We study the uniform electron gas with a gap model in the context of density functional theory. Based on this analysis, we construct two local gap models that realize generalized g…