Orbital minimization with localization

DOI10.3934/DCDS.2009.23.249MaRDI QIDQ1001784zbMATH OpenOpenAlexFDO

Authors Weiguo Gao, Weinan E

Publication date 19 February 2009

Published in Discrete and Continuous Dynamical Systems (Search for Journal in Brave)

Full work available at URL https://doi.org/10.3934/dcds.2009.23.249

zbMATH Keywords

conjugate gradientlocalizationorbital minimization

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) PDEs in connection with quantum mechanics (35Q40) Molecular physics (81V55) Applications of functional analysis in numerical analysis (46N40)

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