Efficiency of different numerical methods for solving Redfield equations
摘要
The numerical efficiency of different schemes for solving the Liouville-von Neumann equation within multilevel Redfield theory has been studied. Among the tested algorithms are the well-known Runge-Kutta scheme in two different implementations as well as methods especially developed for time propagation: the Short Iterative Arnoldi, Chebyshev and Newtonian propagators. In addition, an implementation of a symplectic integrator has been studied. For a simple example of a two-center electron transfer system we discuss some aspects of the efficiency of these methods to integrate the equations of motion. Overall for time-independent potentials the Newtonian method is recommended. For time-dependent potentials implementations of the Runge-Kutta algorithm are very efficient.
引用
@article{arxiv.physics/0009059,
title = {Efficiency of different numerical methods for solving Redfield equations},
author = {Ivan Kondov and Ulrich Kleinekathoefer and Michael Schreiber},
journal= {arXiv preprint arXiv:physics/0009059},
year = {2009}
}