A Mathematical and Computational Proposal for the Development of Tight-Binding Order-N Density Matrix Methodology

DOI10.5540/tcam.2021.022.03.00423zbMath1527.82048OpenAlexW3186954598MaRDI QIDQ6084576

Unnamed Author, Fernando L. S. Ferreira, Unnamed Author

Publication date: 2 December 2023

Published in: Trends in Computational and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.5540/tcam.2021.022.03.00423

zbMATH Keywords

Lagrange multipliersmathematical and computational modelingtight-binding density matrix

Mathematics Subject Classification ID

Statistical mechanics in condensed matter (general) (82D03)

Cites Work

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• Modification of the Wolfe line search rules to satisfy the descent condition in the Polak-Ribière-Polyak conjugate gradient method
• Globally convergent Polak-Ribière-Polyak conjugate gradient methods under a modified Wolfe line search
• Three modified Polak-Ribière-Polyak conjugate gradient methods with sufficient descent property
• Some Recent Advances in Density Matrix Theory
• Function minimization by conjugate gradients

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