On testing diatomic vibration-rotation wavefunction for high levels
type: Item
instance of: scholarly article
title: On testing diatomic vibration-rotation wavefunction for high levels
zbMATH Open document ID: 0581.65090
DOI: 10.1016/0021-9991(85)90069-5
author: Hafez Kobeissi
published in: Journal of Computational Physics
publication date: 1985-01-01T00:00:00Z
review text: The Morse potential is considered as an example of a model problem whose exact solution can be used to test numerical methods for solving the vibration-rotation equation for diatomic molecules. The difficulty with the exact Morse solution is that it depends on the generalised Laguerre polynomial which is complicated to handle for high vibrational levels. In this paper recurrence relations of these polynomials are used to determine recurrence relations for the actual wavefunction independent of the Laguerre polynomials enabling the values of the wave-function to be calculated at arbitrary points. A numerical example is given.
Mathematics Subject Classification ID: 65Z05
Mathematics Subject Classification ID: 65L10
Mathematics Subject Classification ID: 81Q05
Mathematics Subject Classification ID: 34B30
Mathematics Subject Classification ID: 65N35
Mathematics Subject Classification ID: 35Q99
zbMATH DE Number: 3930298
zbMATH Keywords: radial Schrödinger equation
zbMATH Keywords: Morse potential
zbMATH Keywords: vibration-rotation equation for diatomic molecules
zbMATH Keywords: recurrence relations
zbMATH Keywords: wavefunction
zbMATH Keywords: Laguerre polynomials
zbMATH Keywords: numerical example
reviewed by: Brian L. Burrows
MaRDI profile type: Publication
full work available at URL: 0021-9991(85)90069-5
OpenAlex ID: W2049845808
cites work: The calculation of potential-energy curves from band-spectroscopic data
cites work: An Improved Eigenvalue Corrector Formula for Solving the Schrodinger Equation for Central Fields
cites work: On the numerical solution of Schrödinger's radial equation
cites work: Q5824493
cites work: Q3231529
description: scientific article; zbMATH DE number 3930298