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

Mamadou Ndong*, Hillel Tal-Ezer, Ronnie Kosloff, Christiane P. Koch

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations

Abstract

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

Original languageEnglish
Article number064105
JournalJournal of Chemical Physics
Volume132
Issue number6
DOIs
StatePublished - 2010

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