Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations
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Publication:5034831
DOI10.1051/m2an/2021069zbMath1492.65008arXiv2002.12850OpenAlexW3216904700MaRDI QIDQ5034831
Guillaume Legendre, Mi-Song Dupuy, Maxime Chupin, Éric Séré
Publication date: 21 February 2022
Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2002.12850
Numerical computation of solutions to systems of equations (65H10) Methods of quasi-Newton type (90C53) Computational methods for problems pertaining to quantum theory (81-08) Applications to the sciences (65Z05) Acceleration of convergence in numerical analysis (65B99)
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