Deterministic global optimization in ab-initio quantum chemistry

DOI10.1007/S10898-012-9868-5zbMATH Open1275.90065OpenAlexW2081093587MaRDI QIDQ2392771FDOQ2392771

Alistair P. Rendell, Pete P. Janes

Publication date: 2 August 2013

Published in: Journal of Global Optimization (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10898-012-9868-5

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zbMATH Keywords

nonlinear programmingconvex relaxationbranch and boundquantum chemistrydeterministic global optimizationHartree-Fock

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Nonconvex programming, global optimization (90C26)

Cites Work

• Rigorous global search: continuous problems
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• MoM Matrix Generation Based on Frequency and Material Independent Reactions (FMIR-MoM)

Cited In (1)

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

Uses Software

• BARON
• AMPL
• CPLEX
• Couenne
• Cbc
• LINDO
• INTOPT_90
• Bonmin
• Ipopt
• GAMS
• CLP
• GAUSSIAN
• LINDOGlobal
• STOP
• Ev3

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