Global integration of the Schrödinger equation: a short iterative scheme within the wave operator formalism using discrete Fourier transforms

@article{Leclerc2015GlobalIO,
  title={Global integration of the Schr{\"o}dinger equation: a short iterative scheme within the wave operator formalism using discrete Fourier transforms},
  author={Arnaud Leclerc and Georges Jolicard},
  journal={Journal of Physics A: Mathematical and Theoretical},
  year={2015},
  volume={48}
}
  • A. Leclerc, G. Jolicard
  • Published 15 May 2015
  • Mathematics
  • Journal of Physics A: Mathematical and Theoretical
A global solution of the Schrödinger equation for explicitly time-dependent Hamiltonians is derived by integrating the nonlinear differential equation associated with the time-dependent wave operator. A fast iterative solution method is proposed in which, however, numerous integrals over time have to be evaluated. This internal work is done using a numerical integrator based on fast Fourier transforms (FFT). The case of a transition between two potential wells of a model molecule driven by… 
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