Decay of Interatomic Force Constants in the Reduced Hartree-Fock Model
Mathematical Physics
2025-06-12 v1 math.MP
Abstract
We study the decay of the interatomic force constants (equivalently, the smoothness properties of the dynamical matrix) in perfect crystals both at finite electronic temperature, and for insulators at zero temperature, within the reduced Hartree-Fock approximation (also called Random Phase Approximation). At finite temperature the electrons are mobile, leading to exponential decay of the force constants. In insulators, there is incomplete screening, leading to an algebraic decay of dipole-dipole interaction type.
Keywords
Cite
@article{arxiv.2506.09595,
title = {Decay of Interatomic Force Constants in the Reduced Hartree-Fock Model},
author = {Eric Cances and Antoine Levitt and Jack Thomas},
journal= {arXiv preprint arXiv:2506.09595},
year = {2025}
}
Comments
16 pages, 2 figures