A Chebychev propagator for inhomogeneous Schr\"odinger equations
Quantum Physics
2009-05-20 v2
Abstract
We present a propagation scheme for time-dependent inhomogeneous Schr\"odinger equations which occur for example in optimal control theory or in reactive scattering calculations. A formal solution based on a polynomial expansion of the inhomogeneous term is derived. It is subjected to an approximation in terms of Chebychev polynomials. Different variants for the inhomogeneous propagator are demonstrated and applied to two examples from optimal control theory. Convergence behavior and numerical efficiency are analyzed.
Keywords
Cite
@article{arxiv.0812.4428,
title = {A Chebychev propagator for inhomogeneous Schr\"odinger equations},
author = {Mamadou Ndong and Hillel Tal-Ezer and Ronnie Kosloff and Christiane P. Koch},
journal= {arXiv preprint arXiv:0812.4428},
year = {2009}
}
Comments
explicit description of algorithm and two appendices added version accepted by J Chem Phys