97 citations · 1.1k across the 39 of their papers we have counts for
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Investigation of the exchange-correlation potential of functionals based on the adiabatic connection interpolation
E. Fabiano, S. Śmiga, S. Giarrusso +4
We have studied the correlation potentials produced by various adiabatic connection models (ACM) for several atoms and molecules. The results have been compared to accurate referen…
Strong-interaction limit of an adiabatic connection in Hartree-Fock theory
Michael Seidl, Sara Giarrusso, Stefan Vuckovic +2
We show that the leading term in the strong-interaction limit of the adiabatic connection that has as weak-interaction expansion the Moeller-Plesset perturbation theory can be full…
Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids
L. A. Constantin, E. Fabiano, F. Della Sala
Kinetic energy (KE) approximations are key elements in orbital-free density functional theory. To date, the use of non-local functionals, possibly employing system dependent parame…
Restoring size consistency of approximate functionals constructed from the adiabatic connection
S. Vuckovic, P. Gori-Giorgi, F. Della Sala +1
Approximate exchange-correlation functionals built by modeling in a non-linear way the adiabatic connection (AC) integrand of density functional theory have many attractive feature…
Non-local kinetic energy functional from the Jellium-with-gap model: applications to Orbital-Free Density Functional Theory
L. A. Constantin, E. Fabiano, F. Della Sala
Orbital-Free Density Functional Theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system siz…
Assessment of interaction-strength interpolation formulas for gold and silver clusters
S. Giarrusso, P. Gori-Giorgi, F. Della Sala +1
The performance of functionals based on the idea of interpolating between the weak and the strong-interaction limits the global adiabatic-connection integrand is carefully studied…