529 citations · 2.3k across the 42 of their papers we have counts for
7 papers · 1 filter
Towards adiabatic-connection interpolation model with broader applicability
Lucian A. Constantin, Szymon Śmiga, Fabio Della Sala
The Adiabatic Connection Integrand Interpolation (ACII) method represents a general path for calculating correlation energies in electronic systems within the Den sity Functional T…
Nanowire-Intensified MEF in Hybrid Polymer-Plasmonic Electrospun Filaments
Andrea Camposeo, Radoslaw Jurga, Maria Moffa +5
Hybrid polymer-plasmonic nanostructures might combine high enhancement of localized fields from metal nanoparticles with light confinement and long-range transport in subwavelength…
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…
Range separated functionals in the density functional based tight binding method: Formalism
Thomas A. Niehaus, Fabio Della Sala
A generalization of the density-functional based tight-binding method (DFTB) for the use with range-separated exchange-correlation functionals is presented. It is based on the Gene…
Electrostatic Field Driven Alignment of Organic Oligomers on ZnO Surfaces
F. Della Sala, S. Blumstengel, F. Henneberger
We study the physisorption of organic oligomers on the ZnO() surface using first-principles density-functional theory and non-empirical embedding methods. We find that…
Effects of macroscopic polarization in III-V nitride multi-quantum-wells
V. Fiorentini, F. Bernardini, F. Della Sala +2
Huge built-in electric fields have been predicted to exist in wurtzite III-V nitrides thin films and multilayers. Such fields originate from heterointerface discontinuities of the…
Free-carrier screening of polarization fields in wurtzite GaN/InGaN laser structures
F. Della Sala, A. Di Carlo, P. Lugli +4
The free-carrier screening of macroscopic polarization fields in wurtzite GaN/InGaN quantum wells lasers is investigated via a self-consistent tight-binding approach. We show that…