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Electronic Wave Propagation With Mathematica
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| Organization: | The University of Western Australia |
| Organization: | The University of Western Australia |
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| Computer Physics Communications |
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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).
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time-dependent Schrödinger equation, propagation operator, Chebyshev expansion scheme, potential scattering
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