Kohn–Sham computation and the bivariate view of density functional theory

DOI10.1088/1751-8121/ad075darXiv2305.17795OpenAlexW4388195316MaRDI QIDQ6148233

Paul E. Lammert

Publication date: 11 January 2024

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

Full work available at URL: https://arxiv.org/abs/2305.17795

zbMATH Keywords

density functional theoryfunctional analysisKohn-Sham computation

Mathematics Subject Classification ID

Quantum computation (81P68) Estimates of eigenvalues in context of PDEs (35P15) Ergodicity, mixing, rates of mixing (37A25) Functional analysis techniques applied to functions of several complex variables (32A70) Computational density functional analysis in statistical mechanics (82M36)

Cites Work

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• Nonsmooth analysis
• Functional analysis, Sobolev spaces and partial differential equations
• On the variational principle
• Calculus Without Derivatives
• Nonconvex minimization problems

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