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Electronic Wave Propagation With Mathematica

P. E. Falloon
Organization: The University of Western Australia
Department: Physics
J. B. Wang
Organization: The University of Western Australia
Department: Physics
Journal / Anthology

Computer Physics Communications
Year: 2001
Volume: 134
Issue: 2
Page range: 167-182

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/sup 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).

*Applied Mathematics > Numerical Methods
*Science > Physics > Quantum Physics

time-dependent Schrödinger equation, propagation operator, Chebyshev expansion scheme, potential scattering