A Chebychev propagator with iterative time ordering for explicitly time-dependent Hamiltonians

• Main Authors: Ndong, Mamadou, Tal-Ezer, Hillel, Kosloff, Ronnie, Koch, Christiane P
• Format: Journal Article
• Language: English
• Published: 17-12-2009
• Subjects: Physics - Quantum Physics
• DOI: 10.48550/arxiv.0912.3363

J. Chem. Phys. 132, 064105 (2010) A propagation method for time-dependent Schr\"odinger equations with an
explicitly time-dependent Hamiltonian is developed where time ordering is
achieved iteratively. The explicit time-dependence of the time-dependent
Schr\"odinger equation is rewritten as an inhomogeneous term. At each step of
the iteration, the resulting inhomogeneous Schr\"odinger equation is solved
with the Chebychev propagation scheme presented in J. Chem. Phys. 130, 124108
(2009). The iteratively time-ordering Chebychev propagator is shown to be
robust, efficient and accurate and compares very favorably to all other
available propagation schemes.