An evaluation of the Gauss-Radau algorithm for the simulation of chemical dynamics
DOI10.1006/JCPH.1994.1139zbMATH Open0807.65078OpenAlexW1986927171MaRDI QIDQ1335652FDOQ1335652
Authors: Kim Bolton, Sture Nordholm 
Publication date: 17 October 1994
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1006/jcph.1994.1139
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comparisonhigher accuracyMorse potentialsGauss-Radau algorithmGear fixed time step algorithmGear variable time step algorithmRunge- Kutta algorithmssimulation of chemical dynamicsVerlet leapfrog algorithm
Nonlinear ordinary differential equations and systems (34A34) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Numerical methods for initial value problems involving ordinary differential equations (65L05) Classical flows, reactions, etc. in chemistry (92E20)
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