2015/05/25 by Vladislav V. Serov, Serov, Vladislav V., Tatiana А. Sergeeva +2
Earth and Planetary Sciences · Engineering · Physics and Astronomy · #Atomic Physics (physics.atom-ph) #Computational Physics (physics.comp-ph) #Electromagnetic Simulation and Numerical Methods #FOS: Physical sciences #Magneto-Optical Properties and Applications #Seismic Waves and Analysis #physics.atom-ph #physics.comp-ph
paper · pdf · doi:10.48550/arxiv.1505.06707
20 pages, 7 figures
openalex publication_date 2015/05/25 · arxiv created 2015/09/01 · arxiv updated 2015/09/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The split-operator pseudo-spectral method based on the fast Fourier transform (SO-FFT) is a fast and accurate method for the numerical solution of the time-dependent Schrödinger-like equations (TDSE). As well as other grid-based approaches, SO-FFT encounters a problem of the unphysical reflection of the wave function from the grid boundaries. Exterior complex scaling (ECS) is an effective method widely applied for the suppression of the unphysical reflection. However, SO-FFT and ECS have not been used together heretofore because of the kinetic energy operator coordinate dependence that appears in ECS applying. We propose an approach for the combining the ECS with SO-FFT for the purpose of the solution of TDSE with outgoing-wave boundary conditions. Also, we propose an effective ECS-friendly FFT-based preconditioner for the solution of the stationary Schrödinger equation by means of the preconditioned conjugate gradients method.