Electronic wave propagation with Mathematica

P. E. Falloon*, J. B. Wang

*Corresponding author for this work

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

A highly accurate and effective scheme for solving the time-dependent Schrodinger equation is implemented using Mathematica. The present code achieves a precision of one part in 1017, which is found to be independent of time steps. With a new wavefunction splitting algorithm and a more efficient method for evaluating transmission coefficients, the improved code requires considerably less CPU time than that reported in our previous publication.

Original languageEnglish
Pages (from-to)167-182
Number of pages16
JournalComputer Physics Communications
Volume134
Issue number2
DOIs
Publication statusPublished - Feb 2001
Externally publishedYes

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