Electronic wave propagation with Mathematica

Peter Falloon; Jingbo Wang

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

Electronic wave propagation with Mathematica

Peter Falloon, Jingbo Wang

Graduate Research School

Research output: Contribution to journal › Article

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 10(17), 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 (Wang and Scholz, Phys. Rev. A 57 (1998) 3554). (C) 2001 Elsevier Science B.V. All rights reserved.

Original language	English
Pages (from-to)	167-182
Journal	Computer Physics Communications
Volume	134
DOIs	https://doi.org/10.1016/S0010-4655(00)00196-X
Publication status	Published - 2001

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10.1016/S0010-4655(00)00196-X

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Falloon, P., & Wang, J. (2001). Electronic wave propagation with Mathematica. Computer Physics Communications, 134, 167-182. https://doi.org/10.1016/S0010-4655(00)00196-X

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