Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem
Chemical Physics
2019-12-13 v3 Quantum Physics
Abstract
We investigate whether the entropic regularisation of the strictly-correlated-electrons problem can be used to build approximations for the kinetic correlation energy functional at large coupling strengths and, more generally, to gain new insight in the problem of describing and understanding strong correlation within Density Functional Theory.
Keywords
Cite
@article{arxiv.1911.05818,
title = {Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem},
author = {Augusto Gerolin and Juri Grossi and Paola Gori-Giorgi},
journal= {arXiv preprint arXiv:1911.05818},
year = {2019}
}