Abstract
The design and the implementation in a Grid environment of an Internet portal devoted to best fitting potential energy functionals to ab initio data for few body systems is discussed. The case study of a generalized LEPS functional suited to fit reactive three body systems is discussed with an application to the NO2 system.
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Pacifici, L., Arteconi, L., Laganà, A. (2007). FITTING: A Portal to Fit Potential Energy Functionals to ab initio Points. In: Shi, Y., van Albada, G.D., Dongarra, J., Sloot, P.M.A. (eds) Computational Science – ICCS 2007. ICCS 2007. Lecture Notes in Computer Science, vol 4487. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-72584-8_46
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DOI: https://doi.org/10.1007/978-3-540-72584-8_46
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