Convergence of Adaptive Compression Methods for Hartree‐Fock‐Like Equations

DOI10.1002/CPA.21784zbMath1417.35152arXiv1703.05441OpenAlexW2964224206MaRDI QIDQ4631366

Lin Lin, Michael Lindsey

Publication date: 24 April 2019

Published in: Communications on Pure and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1703.05441

zbMATH Keywords

linear eigenvalue problemHartree-Fock-like equations

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Integro-partial differential equations (45K05) PDEs in connection with quantum mechanics (35Q40) Many-body theory; quantum Hall effect (81V70) Integro-partial differential equations (35R09)

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Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation ⋮ Numerical methods for Kohn–Sham density functional theory ⋮ Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints

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