The fast Hankel transform as a tool in the solution of the time dependent Schrödinger equation

Rob Bisseling*, Ronnie Kosloff

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

49 Scopus citations

Abstract

A new method is presented for the solution of the time dependent Schrödinger equation, expressed in polar or spherical coordinates. The radial part of the Laplacian operator is computed using a Fast Hankel Transform. An algorithm for the FHT is described, based on the Fast Fourier Transform. The accuracy of the Hankel method is checked for the two- and three-dimensional harmonic oscillator by comparing with the analytical solution. The Hankel method is applied to the system H + H2 with Delves hyperspherical coordinates and is compared to the Fourier method.

Original languageEnglish
Pages (from-to)136-151
Number of pages16
JournalJournal of Computational Physics
Volume59
Issue number1
DOIs
StatePublished - 30 May 1985

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