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Screening in the Finite-Temperature Reduced Hartree–Fock Model
Archive for Rational Mechanics and Analysis ( IF 2.6 ) Pub Date : 2020-07-31 , DOI: 10.1007/s00205-020-01560-0 Antoine Levitt
Archive for Rational Mechanics and Analysis ( IF 2.6 ) Pub Date : 2020-07-31 , DOI: 10.1007/s00205-020-01560-0 Antoine Levitt
We prove the existence of solutions of the reduced Hartree-Fock equations at finite temperature for a periodic crystal with a small defect, and show total screening of the defect charge by the electrons. We also show the convergence of the damped self-consistent field iteration using Kerker preconditioning to remove charge sloshing. As a crucial step of the proof, we define and study the properties of the dielectric operator.
中文翻译:
有限温度降低 Hartree-Fock 模型中的筛选
我们证明了有限温度下具有小缺陷的周期性晶体的简化 Hartree-Fock 方程解的存在性,并展示了电子对缺陷电荷的全面屏蔽。我们还展示了使用 Kerker 预处理来消除电荷晃动的阻尼自洽场迭代的收敛性。作为证明的关键步骤,我们定义并研究了介电算符的性质。
更新日期:2020-07-31
中文翻译:
有限温度降低 Hartree-Fock 模型中的筛选
我们证明了有限温度下具有小缺陷的周期性晶体的简化 Hartree-Fock 方程解的存在性,并展示了电子对缺陷电荷的全面屏蔽。我们还展示了使用 Kerker 预处理来消除电荷晃动的阻尼自洽场迭代的收敛性。作为证明的关键步骤,我们定义并研究了介电算符的性质。