On the Kohn-Sham equations with periodic background potentials

DOI10.1023/A:1022810601639MaRDI QIDQ1870251zbMATH OpenOpenAlexFDO

Authors P. Nordlander, Emil Prodan

Publication date 11 May 2003

Published in Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0303518

zbMATH Keywords

Density functional theoryexistence and uniquenessKohn-Sham equationsperiodic background potentialsperiodic potentialsthermodynamic limit

Mathematics Subject Classification ID

Many-body theory; quantum Hall effect (81V70) Quantum equilibrium statistical mechanics (general) (82B10)

Abstract: We study the question of existence and uniqueness for the finite temperature Kohn-Sham equations. For finite volumes, a unique soluion is shown to exists if the effective potential satisfies a set of general conditions and the coupling constant is smaller than a certain value. For periodic background potentials, this value is proven to be volume independent. In this case, the finite volume solutions are shown to converge as the thermodynamic limit is considered. The local density approximation is shown to satisfy the general conditions mentioned above.

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• A Kohn–Sham system at zero temperature
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• A proximal gradient method for ensemble density functional theory
• Symmetry breaking in the self-consistent Kohn–Sham equations
• Differential equations of quantum mechanics
• On an effective equation of the reduced Hartree-Fock theory
• Local existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics
• Numerical analysis of finite dimensional approximations in finite temperature DFT
• Strong law of large numbers and central limit theorem for stochastic lattice differential equations
• Monotonicity properties of the quantum mechanical particle density: An elementary proof

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