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Deterministic global optimization in ab-initio quantum chemistry

Janes, Pete; Rendell, Alistair


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 relativel

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
Source: Journal of Global Optimization
DOI: 10.1007/s10898-012-9868-5


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