104 citations · 1.3k across the 61 of their papers we have counts for
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Orbital-free energy functional for electrons in two dimensions
S. Pittalis, E. Rasanen
We derive a non-empirical, orbital-free density functional for the total energy of interacting electrons in two dimensions. The functional consists of a local formula for the inter…
Becke-Johnson-type exchange potential for two-dimensional systems
S. Pittalis, E. Rasanen, C. R. Proetto
We extend the Becke-Johnson approximation [J. Chem. Phys. 124, 221101 (2006)] of the exchange potential to two dimensions. We prove and demonstrate that a direct extension of the u…
Universal correction for the Becke-Johnson exchange potential
E. Rasanen, S. Pittalis, C. Proetto
The Becke-Johnson exchange potential [J. Chem. Phys. 124, 221101 (2006)] has been successfully used in electronic structure calculations within density-functional theory. However,…
Exchange and correlation energy functionals for two-dimensional open-shell systems
E. Rasanen, S. Pittalis
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular…
On the lower bound on the exchange-correlation energy in two dimensions
E. Rasanen, S. Pittalis, C. R. Proetto +1
We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a sim…
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
S. Pittalis, E. Rasanen, E. K. U. Gross
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, howeve…