Adiabatic connection interaction strength interpolation method made accurate for the uniform electron gas
Abstract
The adiabatic connection interaction strength interpolation (ISI)-like method provides a high-level expression for the correlation energy, being in principle exact in the weak-interaction limit, where it recovers the second-order G\"orling-Levy perturbation term, but also in the strong-interaction limit that is described by the strictly correlated electron approach. In this work, we construct the genISI functional made accurate for the uniform electron gas, a solid-state physics paradigm that is a very difficult test for ISI-like correlation functionals. We assess the genISI functional for various jellium spheres with the number of electrons Z 912 and for the non-relativistic noble atoms with Z 290. For the jellium clusters, the genISI is remarkably accurate, while for the noble atoms, it shows a good performance, similar to other ISI-like methods. Then, the genISI functional can open the path using the ISI-like method in solid-state calculations.
Cite
@article{arxiv.2309.16430,
title = {Adiabatic connection interaction strength interpolation method made accurate for the uniform electron gas},
author = {Lucian A. Constantin and Subrata Jana and Szymon Śmiga and Fabio Della Sala},
journal= {arXiv preprint arXiv:2309.16430},
year = {2023}
}