97 citations · 1.1k across the 39 of their papers we have counts for
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A Density Difference Based Analysis of Orbital--Dependent Exchange--Correlation Functionals
I. Grabowski, A. M. Teale, E. Fabiano +3
We present a density difference based analysis for a range of orbital--dependent Kohn--Sham functionals. Results for atoms, some members of the neon isoelectronic series and small…
Simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of dissociation energy curve of noncovalently-interacting systems
I. Grabowski, E. Fabiano, F. Della Sala
We present a simple and non-empirical method to determine optimal scaling coefficients, within the (spin-component)-scaled MP2 approach, for calculating intermolecular potential en…
Meta-GGA exchange-correlation functional with a balanced treatment of nonlocality
L. A. Constantin, E. Fabiano, F. Della Sala
We construct a meta-generalized-gradient approximation which properly balances the nonlocality contributions to the exchange and correlation at the semilocal level. This non-empiri…
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…