97 citations · 1.1k across the 39 of their papers we have counts for
4 papers · 1 filter
Assessment of the TCA functional in computational chemistry and solid-state physics
E. Fabiano, L. A. Constantin, A. Terentjevs +2
We assess the Tognetti-Cortona-Adamo (TCA) generalized gradient approximation correlation functional [J. Chem. Phys. 128:034101 (2008)] for a variety of electronic systems. We find…
Accurate non-covalent interaction energies via an efficient MP2 scaling procedure
E. Fabiano, F. Della Sala, I. Grabowski
Using the observed proportionality of CCSD(T) and MP2 correlation interaction energies [I. Grabowski, E. Fabiano, F. Della Sala, Phys. Chem. Chem. Phys. 15, 15485 (2013)] we propos…
Subsystem density functional theory with meta generalized gradient approximation exchange-correlation functionals
S. Śmiga, E. Fabiano, S. Laricchia +2
We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals…
Global hybrids from the semiclassical atom theory satisfying the local density linear response
E. Fabiano, L. A. Constantin, P. Cortona +1
We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy…