Rigorous body-order approximations of an electronic structure potential energy landscape
Mathematical Physics
2022-07-20 v1 math.MP
Abstract
We show that the local density of states (LDOS) of a wide class of tight-binding models has a weak body-order expansion. Specifically, we prove that the resulting body-order expansion for analytic observables such as the electron density or the energy has an exponential rate of convergence both at finite Fermi-temperature as well as for insulators at zero Fermi-temperature. We discuss potential consequences of this observation for modelling the potential energy landscape, as well as for solving the electronic structure problem.
Keywords
Cite
@article{arxiv.2106.12572,
title = {Rigorous body-order approximations of an electronic structure potential energy landscape},
author = {Jack Thomas and Huajie Chen and Christoph Ortner},
journal= {arXiv preprint arXiv:2106.12572},
year = {2022}
}