Solving the bound-state Schrödinger equation by reproducing kernel interpolation

Xu Guang Hu, Tak San Ho, Herschel Rabitz

Research output: Contribution to journalArticle

9 Scopus citations

Abstract

Based on reproducing kernel Hilbert space theory and radial basis approximation theory, a grid method is developed for numerically solving the N-dimensional bound-state Schrödinger equation. Central to the method is the construction of an appropriate bounded reproducing kernel (RK) [Formula Presented] from the linear operator [Formula Presented] where [Formula Presented] is the N-dimensional Laplacian, [Formula Presented] is a parameter related to the binding energy of the system under study, and the real number [Formula Presented] The proposed (Sobolev) RK [Formula Presented] is shown to be a positive-definite radial basis function, and it matches the asymptotic solutions of the bound-state Schrödinger equation. Numerical tests for the one-dimensional (1D) Morse potential and 2D Henon-Heiles potential reveal that the method can accurately and efficiently yield all the energy levels up to the dissociation limit. Comparisons are also made with the results based on the distributed Gaussian basis method in the 1D case as well as the distributed approximating functional method in both 1D and 2D cases.

Original languageEnglish (US)
Pages (from-to)2074-2085
Number of pages12
JournalPhysical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume61
Issue number2
DOIs
StatePublished - Jan 1 2000

All Science Journal Classification (ASJC) codes

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

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