A Kohn–Sham system at zero temperature

DOI10.1088/1751-8113/41/38/385304zbMATH Open1159.34057arXiv0801.2693OpenAlexW3105928121MaRDI QIDQ3528243FDOQ3528243

Authors: Kurt Hoke, Hagen Neidhardt, Paul N. Racec, Joachim Rehberg, Horia D. Cornean 

Publication date: 8 October 2008

Published in: Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)

Abstract: An one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor {nano}structures and which is investigated at zero temperature. We prove the existence of solutions and derive a priori estimates. For this purpose we find estimates for eigenvalues of the Schr"odinger operator with effective Kohn-Sham potential and obtain $W^{1,2}$-bounds of the associated particle density operator. Afterwards, compactness and continuity results allow to apply Schauder's fixed point theorem. In case of vanishing exchange-correlation potential uniqueness is shown by monotonicity arguments. Finally, we investigate the behavior of the system if the temperature approaches zero.

Full work available at URL: https://arxiv.org/abs/0801.2693

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Mathematics Subject Classification ID

Nonlinear ordinary differential operators (34L30) Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Monotone operators and generalizations (47H05) Many-body theory; quantum Hall effect (81V70)

Cited In (5)

• Symmetry breaking in the self-consistent Kohn–Sham equations
• Monotonicity properties of the quantum mechanical particle density: An elementary proof
• Cluster solutions for the Schrödinger-Poisson-Slater problem around a local minimum of the potential
• On the Kohn-Sham equations with periodic background potentials
• Unique solutions to Hartree-Fock equations for closed shell atoms

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