529 citations · 2.3k across the 42 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…
Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals
L. A. Constantin, E. Fabiano, F. Della Sala
Using a reverse-engineering method we construct a meta-generalized gradient approximation (meta-GGA) angle-averaged exchange-correlation hole model which has a general applicabilit…
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…
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…