97 citations · 1.1k across the 39 of their papers we have counts for
3 papers · 1 filter
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…
Hartree potential dependent exchange functional
L. A. Constantin, E. Fabiano, F. Della Sala
We introduce a novel non-local ingredient for the construction of exchange density functionals: the reduced Hartree parameter, which is invariant under the uniform scaling of the d…
Kinetic and Exchange Energy Densities near the Nucleus
L. A. Constantin, E. Fabiano, F. Della Sala
We investigate the behavior of the kinetic and the exchange energy densities near the nuclear cusp of atomic systems. Considering hydrogenic orbitals, we derive analytical expressi…