Computing the chemical reaction path with a ray-based fast marching technique for solving the Hamilton-Jacobi equation in a general coordinate system

DOI10.1007/s10910-008-9395-2zbMath1196.92067OpenAlexW1978086138MaRDI QIDQ839347

Bijoy K. Dey, Paul W. Ayers

Publication date: 2 September 2009

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-008-9395-2

zbMATH Keywords

potential energy surfacereaction pathray methodfast marching algorithmleast-actionleast-potentialleast-time

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Hamilton-Jacobi equations in mechanics (70H20)

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Cites Work

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