104 citations · 1.3k across the 61 of their papers we have counts for
7 papers · 1 filter
Toward an all-round semi-local potential for the electronic exchange
Micael J. T. Oliveira, Esa Räsänen, Stefano Pittalis +1
We test local and semi-local density functionals for the electronic exchange for a variety of systems including atoms, molecules, and atomic chains. In particular, we focus on a re…
Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures
S. Pittalis, E. Rasanen
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-…
Simple exchange-correlation potential with a proper long-range behavior for low-dimensional nanostructures
S. Pittalis, E. Rasanen
The exchange-correlation potentials stemming from the local-density approximation and several generalized-gradient approximations are known to have incorrect asymptotic decay. This…
Exact conditions and scaling relations in finite temperature density functional theory
S. Pittalis, C. R. Proetto, A. Floris +4
Finite temperature density functional theory provides, in principle, an exact description of the thermodynamical equilibrium of many-electron systems. In practical applications, ho…
Anti-adiabatic limit of the exchange-correlation kernels of an inhomogeneous electron gas
V. U. Nazarov, I. V. Tokatly, S. Pittalis +1
We express the high-frequency (anti-adiabatic) limit of the exchange-correlation kernels of an inhomogeneous electron gas in terms of the following equilibrium properties: the grou…
Parameter-free density functional for the correlation energy in two dimensions
E. Rasanen, S. Pittalis, C. R. Proetto
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, a…