Variational density matrix optimization using semidefinite programming

DOI10.1016/j.cpc.2010.12.034zbMath1223.81180arXiv1006.3721OpenAlexW2000836604WikidataQ58191449 ScholiaQ58191449MaRDI QIDQ2275551

Helen van Aggelen, Patrick Bultinck, Dimitri Van Neck, Paul W. Ayers, Brecht Verstichel

Publication date: 9 August 2011

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1006.3721

zbMATH Keywords

semidefinite programmingdensity matrixvariational optimization

Mathematics Subject Classification ID

Many-body theory; quantum Hall effect (81V70) Quantum equilibrium statistical mechanics (general) (82B10) Variational principles of physics (49S05)

Cites Work

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• On the Nesterov--Todd Direction in Semidefinite Programming
• Reduction of the N-Particle Variational Problem
• Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction