A fast and adaptable method for high accuracy integration of the time-dependent Schrödinger equation.

Sci Rep

ARC Centre of Excellence for Advanced Molecular Imaging, Theoretical Condensed Matter Physics Group, School of Physics, University of Melbourne, Victoria, 3010, Australia.

Published: January 2019

We present an adaptable, fast, and robust method for integrating the time-dependent Schrödinger equation. We apply the method to calculations of High Harmonic (HHG) and Above Threshold Ionisation (ATI) spectra for a single atomic electron in an intense laser field. Our approach implements the stabilized bi-conjugate gradient method (BiCG-STAB) for solving a sparse linear system to evolve the electronic wavefunction in time. The use of this established method makes the propagation scheme less restrictive compared to other schemes which may have particular requirements for the form of the equation, such as use of a three-point finite-difference approximation for spatial derivatives. Our method produces converged solutions significantly faster than existing methods, particularly if high accuracy is required. We demonstrate that this approach is suitable for a range of different parameters and show that in many circumstances significant gains can be made with the use of a fourth-order time propagator as opposed to the more common second-order Crank-Nicolson (CN) method.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6349856PMC
http://dx.doi.org/10.1038/s41598-018-37382-0DOI Listing

Publication Analysis

Top Keywords

high accuracy
8
time-dependent schrödinger
8
schrödinger equation
8
method
7
fast adaptable
4
adaptable method
4
method high
4
accuracy integration
4
integration time-dependent
4
equation adaptable
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!