Are Gauss-Legendre methods useful in molecular dynamics?

DOI10.1016/0377-0427(95)00151-4zbMath0856.65083OpenAlexW1993554648MaRDI QIDQ1919419

Yanyan Li

Publication date: 24 February 1997

Published in: Journal of Computational and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0377-0427(95)00151-4

zbMATH Keywords

Hamiltoniannumerical experimentsmolecular dynamicsVerlet methodGauss-Legendre methodsymplectic formulas

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Numerical methods for initial value problems involving ordinary differential equations (65L05) Dynamical aspects of finite-dimensional Hamiltonian and Lagrangian systems (37J99) Molecular physics (81V55)

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