Supercell Calculations in the Reduced Hartree–Fock Model for Crystals with Local Defects

DOI10.1093/amrx/abw010zbMath1398.82045arXiv1512.08636OpenAlexW2202276057MaRDI QIDQ4683868

David Gontier, Salma Lahbabi

Publication date: 26 September 2018

Published in: Applied Mathematics Research eXpress (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1512.08636

zbMATH Keywords

local defectsupercell reduced Hartree-Fock (rHF) model

Mathematics Subject Classification ID

Crystalline structure (74E15) Fracture and damage (74R99) Statistical mechanics of crystals (82D25) Molecular physics (81V55)

Related Items (6)

Finite-size effects in response functions of molecular systems ⋮ Screening in the finite-temperature reduced Hartree-Fock model ⋮ Thermodynamic limit of crystal defects with finite temperature tight binding ⋮ A reduced Hartree–Fock model of slice-like defects in the Fermi sea ⋮ Point defects in tight binding models for insulators ⋮ The reduced Hartree-Fock model with self-generated magnetic fields

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