62 citations · 137 across the 4 of their papers we have counts for
9 papers
Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT
Stefan Vuckovic, Lucas O. Wagner, Andrew M. Teale +1
We investigate the construction of approximated exchange-correlation functionals by interpolating locally along the adiabatic connection between the weak- and the strong-coupling r…
One Dimensional Mimicking of Electronic Structure: The Case for Exponentials
Thomas E. Baker, E. Miles Stoudenmire, Lucas O. Wagner +2
An exponential interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts. Relative to the more…
How to make electrons avoid each other: a nonlocal radius for strong correlation
Lucas O. Wagner, Paola Gori-Giorgi
We present here a model of the exchange-correlation hole for strongly correlated systems using a simple nonlocal generalization of the Wigner--Seitz radius. The model behaves simil…
Kohn-Sham calculations with the exact functional
Lucas O. Wagner, Thomas E. Baker, E. M. Stoudenmire +2
As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial densi…
Exchange-correlation functionals from the strongly-interacting limit of DFT: Applications to model chemical systems
Francesc Malet, Andre Mirtschink, Klaas J. H. Giesbertz +2
We study model one-dimensional chemical systems (representative of their three-dimensional counterparts) using the strictly-correlated electrons (SCE) functional, which, by constru…
Guaranteed convergence of the Kohn-Sham equations
Lucas O. Wagner, E. M. Stoudenmire, Kieron Burke +1
A sufficiently damped iteration of the Kohn-Sham equations with the exact functional is proven to always converge to the true ground-state density, regardless of the initial densit…