most citedSelf-consistent Coulomb interactions for machine learning interatomic potentials

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math-ph2025

Decay of Interatomic Force Constants in the Reduced Hartree-Fock Model

Eric Cances, Antoine Levitt, Jack Thomas

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, a…

math-ph2025

Nearsightedness in Materials with Indirect Band Gaps

Huajie Chen, Juerong Feng, Christoph Ortner +1

We investigate the nearsightedness property in the linear tight binding model at zero Fermi-temperature. We focus on the decay property of the density matrix for materials with ind…