Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem

Augusto Gerolin; Juri Grossi; Paola Gori-Giorgi

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arXiv · 1911.05818

Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem

Augusto Gerolin·Juri Grossi·Paola Gori-Giorgi

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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.

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Augusto Gerolin, Juri Grossi, Paola Gori-Giorgi. 2019-11-13. Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem. https://arxiv.org/abs/1911.05818

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