Fitting potential energy surface of reactive system via genetic algorithm

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dc.creatorda Cunha, Wiliam Ferreira
dc.creatorRoncaratti, Luiz Fernando
dc.creatorGargano, Ricardo
dc.creatorSilva, Geraldo Magela e
dc.date2005-11-14
dc.date.accessioned2026-07-07T06:52:21Z
dc.date.available2026-07-07T06:52:21Z
dc.descriptionIn this work, we present a new fitting of the Na+HF potential energy surface (PES) utilizing a new optmization method based in Genetic Algorithm. Topology studies, such as isoenergetic contours and Minimum Energy Path(MEP), show that the quality of this new PES is comparable to the best PES of literature. These facts, suggests that this new approach can be utilized as new tool to fit PES of reactive systems.
dc.description10 pages, 5 figures and 2 tables
dc.identifierhttps://arxiv.org/abs/physics/0511131
dc.identifierhttp://arxiv.org/abs/physics/0511131
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/105274
dc.subjectComputational Physics
dc.titleFitting potential energy surface of reactive system via genetic algorithm
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