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 language | English |
|---|---|
| Article number | 064105 |
| Journal | Journal of Chemical Physics |
| Volume | 132 |
| Issue number | 6 |
| DOIs | |
| State | Published - 2010 |
Fingerprint
Dive into the research topics of 'A Chebychev propagator with iterative time ordering for explicitly time-dependent Hamiltonians'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver