An evaluation of the Gauss-Radau algorithm for the simulation of chemical dynamics

DOI10.1006/JCPH.1994.1139zbMath0807.65078OpenAlexW1986927171MaRDI QIDQ1335652

Sture Nordholm, Kim Bolton

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

zbMATH Keywords

comparisonhigher accuracyMorse potentialsGauss-Radau algorithmGear fixed time step algorithmGear variable time step algorithmRunge- Kutta algorithmssimulation of chemical dynamicsVerlet leapfrog algorithm

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Nonlinear ordinary differential equations and systems (34A34) Numerical methods for initial value problems involving ordinary differential equations (65L05) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06)

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