Fast spin dynamics algorithms for classical spin systems

DOI10.1016/S0010-4655(98)00009-5MaRDI QIDQ1299686zbMATH OpenOpenAlexFDO

Authors M. Krech, Alex Bunker, David P. Landau

Publication date 1 February 2000

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

Full work available at URL https://arxiv.org/abs/cond-mat/9805214

zbMATH Keywords

exponential operatorspredictor-corrector methodsspin systemsSuzuki-Trotter decompositionsymplectic integrators

Mathematics Subject Classification ID

Computational methods for ergodic theory (approximation of invariant measures, computation of Lyapunov exponents, entropy, etc.) (37M25) Dynamical systems in other branches of physics (quantum mechanics, general relativity, laser physics) (37N20) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Atomic physics (81V45)

Abstract: We have proposed new algorithms for the numerical integration of the equations of motion for classical spin systems. In close analogy to symplectic integrators for Hamiltonian equations of motion used in Molecular Dynamics these algorithms are based on the Suzuki-Trotter decomposition of exponential operators and unlike more commonly used algorithms exactly conserve spin length and, in special cases, energy. Using higher order decompositions we investigate integration schemes of up to fourth order and compare them to a well established fourth order predictor-corrector method. We demonstrate that these methods can be used with much larger time steps than the predictor-corrector method and thus may lead to a substantial speedup of computer simulations of the dynamical behavior of magnetic materials.

Review text

New algorithms based on Suzuki-Trotter decomposition of exponential operators are proposed for the numerical integration of motion equations for spin systems. The main advantage is the conservation of spin length and energy. The integration schemes (up to fourth-order) are compared to a fourth order predictor-corrector method. It is demonstrated that the new methods can be used with much larger time steps.

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