A mathematical programming formulation for the Hartree-Fock problem on open-shell systems

DOI10.1007/s11590-019-01386-0zbMath1428.90161OpenAlexW2909033116WikidataQ128685122 ScholiaQ128685122MaRDI QIDQ2414124

Leo Liberti, Carlile C. Lavor, Nelson F. Maculan

Publication date: 10 May 2019

Published in: Optimization Letters (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s11590-019-01386-0

zbMATH Keywords

mathematical programmingquantum chemistrylinear independencerank constraint

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Nonlinear programming (90C30)

Uses Software

• SNOPT
• AMPL
• DONLP2

Cites Work

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