A New Leapfrog Integrator of Rotational Motion. The Revised Angular-Momentum Approach

DOI10.1080/08927029908022097zbMath0970.70005arXivphysics/9901025OpenAlexW1971284693MaRDI QIDQ4512782

Igor P. Omelyan

Publication date: 5 November 2000

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/physics/9901025

zbMATH Keywords

energy conservationpolyatomic moleculeslong-term integrationrotational motion of rigid bodiesangular-momentum approachleapfrog integratorrigid molecular structuresrotation-matrix representation

Mathematics Subject Classification ID

Related Items (1)

A new Leapfrog scheme for rotational motion in 3D

Cites Work

• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
• Numerical integration of the equations of motion for rigid polyatomics: The matrix method
• Symplectic numerical integrators in constrained Hamiltonian systems
• The Art of Molecular Dynamics Simulation
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