Electronic wave propagation with Mathematica

P. E. Falloon; J. B. Wang

doi:10.1016/S0010-4655(00)00196-X

Electronic wave propagation with Mathematica

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	167-182
Number of pages	16
Journal	Computer Physics Communications
Volume	134
Issue number	2
DOIs	https://doi.org/10.1016/S0010-4655(00)00196-X
Publication status	Published - Feb 2001
Externally published	Yes

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10.1016/S0010-4655(00)00196-X

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title = "Electronic wave propagation with Mathematica",

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.",

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Electronic wave propagation with Mathematica

Abstract

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