59 citations · 179 across the 4 of their papers we have counts for
4 papers
Semiclassical atom theory applied to solid-state physics
L. A. Constantin, A. Terentjevs, F. Della Sala +2
Using the semiclassical neutral atom theory, we extend to fourth order the modified gradient expansion of the exchange energy of density functional theory. This expansion can be ap…
Semilocal density functional theory with correct surface asymptotics
L. A. Constantin, E. Fabiano, J. M. Pitarke +1
Semilocal density functional theory is the most used computational method for electronic structure calculations in theoretical solid-state physics and quantum chemistry of large sy…
Gradient-dependent upper bound for the exchange-correlation energy and application to density functional theory
L. A. Constantin, E. Fabiano, A. Terentjevs +1
We propose a simple gradient-dependent bound for the exchange-correlation energy (sLL), based on the recent non-local bound derived by Lewin and Lieb. We show that sLL is equivalen…
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…