Accurate numerical solutions of the time-dependent Schrödinger equation

Abstract

We present a generalization of the often-used Crank-Nicolson (CN) method of obtaining numerical solutions of the time-dependent Schrödinger equation. The generalization yields numerical solutions accurate to order $(\Delta x{)}^{2r-1}$ in space and $(\Delta t{)}^{2M}$ in time for any positive integers $r$ and $M$, while CN employ $r=M=1$. We note dramatic improvement in the attainable precision (circa 10 or greater orders of magnitude) along with several orders of magnitude reduction of computational time. The improved method is shown to lead to feasible studies of coherent-state oscillations with additional short-range interactions, wavepacket scattering, and long-time studies of decaying systems.

10 pages, 5 figures

References in corpus (2)

• Time-Dependent Density Functional Theory with Ultrasoft Pseudopotential: Real-Time Electron Propagation across Molecular Junction
• Quantum Abacus

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