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research article

An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation

Roulet, Julien  
•
Vanicek, Jiri  
November 28, 2021
The Journal of Chemical Physics

The explicit split-operator algorithm is often used for solving the linear and nonlinear time-dependent Schrödinger equations. However, when applied to certain nonlinear time-dependent Schrödinger equations, this algorithm loses time reversibility and second-order accuracy, which makes it very inefficient. Here, we propose to overcome the limitations of the explicit split-operator algorithm by abandoning its explicit nature. We describe a family of high-order implicit split-operator algorithms that are norm-conserving, time-reversible, and very efficient. The geometric properties of the integrators are proven analytically and demonstrated numerically on the local control of a two-dimensional model of retinal. Although they are only applicable to separable Hamiltonians, the implicit split-operator algorithms are, in this setting, more efficient than the recently proposed integrators based on the implicit midpoint method.

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2109.10630.pdf

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Preprint

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Submitted version (Preprint)

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openaccess

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CC BY

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2.95 MB

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04a92ff2436409f284e33913a61f035b

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