Orbital minimization with localization

DOI10.3934/dcds.2009.23.249zbMath1170.46313OpenAlexW2050979765MaRDI QIDQ1001784

Weiguo Gao, E. Weinan

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

localizationconjugate gradientorbital 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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