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/S10910-008-9395-2zbMATH Open1196.92067OpenAlexW1978086138MaRDI QIDQ839347FDOQ839347
Authors: 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
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potential energy surfaceray methodreaction pathfast marching algorithmleast-actionleast-potentialleast-time
Hamilton-Jacobi equations in mechanics (70H20) Classical flows, reactions, etc. in chemistry (92E20)
Cites Work
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- User’s guide to viscosity solutions of second order partial differential equations
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- A fast sweeping method for Eikonal equations
- A fast marching level set method for monotonically advancing fronts.
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- Fast methods for the Eikonal and related Hamilton– Jacobi equations on unstructured meshes
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- On the Structure of Half-Groups
Cited In (3)
- Finding minimum energy reaction paths on ab initio potential energy surfaces using the fast marching method
- Fast marching method for calculating reactive trajectories for chemical reactions
- On the unimolecular elimination of gas-phase iodine monobromide following excitation in the visible wavelength region
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