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Branch and bound 1 Convex relaxation 1 Deterministic global optimization 1 Hartree-Fock 1 Non-linear programming 1 Quantum chemistry 1
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Undetermined 1
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Article 2
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Janes, Pete 1 Janes, Pete P. 1 Rendell, Alistair 1 Rendell, Alistair P. 1
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Journal of Global Optimization 1 Journal of global optimization : an international journal dealing with theoretical and computational aspects of seeking global optima and their applications in science, management and engineering 1
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OLC EcoSci 1 RePEc 1
Showing 1 - 2 of 2
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Deterministic global optimization in ab-initio quantum chemistry
Janes, Pete; Rendell, Alistair - In: Journal of Global Optimization 56 (2013) 2, pp. 537-558
A large number of problems in ab-initio quantum chemistry involve finding the global minimum of the total system energy. These problems are traditionally solved by numerical approaches equivalent to local optimization. While these approaches are relatively efficient, they do not provide...
Persistent link: https://www.econbiz.de/10010994167
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Cover Image
Deterministic global optimization in ab-initio quantum chemistry
Janes, Pete P.; Rendell, Alistair P. - In: Journal of global optimization : an international … 56 (2013) 2, pp. 537-558
Persistent link: https://www.econbiz.de/10010131420
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