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Comparison of Numerical Approaches to the Time-Dependent Schrodinger Solutions in One Dimension



Heman Gharibnejad, Barry I. Schneider, Mark Leadingham, henry Schmale


We examine the performance of various time propagation schemes using a one-dimensional model of the hydrogen atom. In this model, the exact coulomb potential is replaced by a soft-core interaction. The model has been shown to be a reasonable representation of what occurs in the fully three dimensional hydrogen atom. Our results show that while many numerically simple (low order) propagation schemes work, they often require quite small time steps. Comparing them against more accurate methods, which may require more work per time step but allow much larger time steps, can be illuminating. We show that at least in this problem, the compute time for a number of the more accurate methods is actually less than lower order schemes. Finally, we make some remarks on what to expect in generalizing our findings to more than one dimension.
Computer Physics Communications


Time Dependent Schrodinger Equation, one-dimensional hydrogen, numerical methods


Gharibnejad, H. , Schneider, B. , Leadingham, M. and Schmale, H. (2019), Comparison of Numerical Approaches to the Time-Dependent Schrodinger Solutions in One Dimension, Computer Physics Communications, [online], (Accessed July 19, 2024)


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Created June 25, 2019, Updated October 12, 2021