On the use of a variable-step method for the computation of diatomic eigenvalues near dissociation: The Lennard-Jones potential
type: Item
instance of: scholarly article
title: On the use of a variable-step method for the computation of diatomic eigenvalues near dissociation: The Lennard-Jones potential
zbMATH Open document ID: 0692.65041
DOI: 10.1016/0021-9991(90)90110-M
author: Hafez Kobeissi
author: Majida Kobeissi
author: Mounzer Dagher
published in: Journal of Computational Physics
publication date: 1990-01-01T00:00:00Z
review text: The authors discuss the application of the variable-step method introduced by the first two authors [J. Comput. Phys. 77, 501-512 (1988; Zbl 0654.65064)] for the computation of diatomic eigenproblems. Their variable-step method, which can be seen as a numerical realization of the Picard iteration is aimed to treat with the one-dimensional Schrödinger equation \(y''(r)=(U(r)-E)y(r)\), where U(r) is a given potential function. Through numerical experiments they argue that the method considerably reduces the CPU time, especially in the case for the Lennard-Jones potential near dissociation.
Mathematics Subject Classification ID: 65L15
Mathematics Subject Classification ID: 34L99
Mathematics Subject Classification ID: 81Q05
zbMATH DE Number: 4133425
zbMATH Keywords: variable-step method
zbMATH Keywords: diatomic eigenproblems
zbMATH Keywords: Picard iteration
zbMATH Keywords: one- dimensional Schrödinger equation
zbMATH Keywords: numerical experiments
zbMATH Keywords: Lennard-Jones potential
reviewed by: Taketomo Mitsui
MaRDI profile type: Publication
cites work: An Improved Eigenvalue Corrector Formula for Solving the Schrodinger Equation for Central Fields
cites work: A new variable step method for the numerical integration of the one- dimensional Schrödinger equation
full work available at URL: 0021-9991(90)90110-m
OpenAlex ID: W2041595267
description: scientific article; zbMATH DE number 4133425