Body-Ordered Approximations of Atomic Properties

Author:

Thomas JackORCID,Chen Huajie,Ortner Christoph

Abstract

AbstractWe 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.

Funder

engineering and physical sciences research council

Engineering and Physical Sciences Research Council

natural science foundation of china

leverhulme trust

natural sciences and engineering research council of canada

Publisher

Springer Science and Business Media LLC

Subject

Mechanical Engineering,Mathematics (miscellaneous),Analysis

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