Numerical integration of the equations of motion for rigid polyatomics: The matrix method

DOI10.1016/S0010-4655(98)00024-1zbMath0933.81059arXivphysics/9901026OpenAlexW3103414326MaRDI QIDQ1299604

Igor P. Omelyan

Publication date: 30 August 1999

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/physics/9901026

zbMATH Keywords

equations of motionnumerical stabilitypolyatomic moleculesnumerical algorithmsmatrix methodphysical chemistry

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items (2)

Anisotropic active colloidal particles in liquid crystals: a multi-particle collision dynamics simulation study ⋮ A New Leapfrog Integrator of Rotational Motion. The Revised Angular-Momentum Approach

Cites Work

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• Molecular dynamics simulation using quaternions
• The automatic integration of ordinary differential equations

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