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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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Type
research article
DOI
10.1063/5.0071153
Web of Science ID

WOS:000728060200001

Author(s)
Roulet, Julien  
Vanicek, Jiri  
Date Issued

2021-11-28

Publisher

AIP Publishing

Published in
The Journal of Chemical Physics
Volume

155

Issue

20

Article Number

204109

Subjects

bose-einstein condensation

•

gross-pitaevskii equation

•

fourier method solution

•

wave-packet dynamics

•

quantum dynamics

•

local-control

•

composition constants

•

schemes

•

vortex

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCPT  
FunderGrant Number

FNS-NCCR

MUST

EU funding

683069-MOLEQULE

RelationURL/DOI

IsSupplementedBy

https://doi.org/10.5281/zenodo.5566833
Available on Infoscience
November 12, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/183001
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