A mathematical formulation of the random phase approximation for crystals

DOI10.1016/J.ANIHPC.2012.05.004MaRDI QIDQ1947421zbMATH OpenOpenAlexFDO

Authors É. Cancès, Gabriel Stoltz

Publication date 22 April 2013

Published in Annales de l'Institut Henri Poincaré. Analyse Non Linéaire (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1109.2416

zbMATH Keywords

crystalsnonlinear Hartree model

Mathematics Subject Classification ID

Time-dependent Schrödinger equations and Dirac equations (35Q41) Statistical mechanics of crystals (82D25)

Abstract: This works extends the recent study on the dielectric permittivity of crystals within the Hartree model [E. Cances and M. Lewin, Arch. Rational Mech. Anal., 197 (2010) 139--177] to the time-dependent setting. In particular, we prove the existence and uniqueness of the nonlinear Hartree dynamics (also called the random phase approximation in the physics literature), in a suitable functional space allowing to describe a local defect embedded in a perfect crystal. We also give a rigorous mathematical definition of the microscopic frequency-dependent polarization matrix, and derive the macroscopic Maxwell-Gauss equation for insulating and semiconducting crystals, from a first order approximation of the nonlinear Hartree model, by means of homogenization arguments.

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Cited in

(20)

• On the dispersion decay for crystals in the linearized Schrödinger-Poisson model
• On stability of ground states for finite crystals in the Schrödinger–Poisson model
• On orbital stability of ground states for finite crystals in fermionic Schrödinger-Poisson model
• The reduced Hartree-Fock model with self-generated magnetic fields
• The density-density response function in time-dependent density functional theory: mathematical foundations and pole shifting
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• On the modeling of interactions between polarons in quantum cristals
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• On the crystal ground state in the Schrödinger-Poisson model
• Screening in the finite-temperature reduced Hartree-Fock model
• On derivation of the Poisson-Boltzmann equation
• On the linear stability of crystals in the Schrödinger-Poisson model

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