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Application of the WKB Approximation in the Solution of the Schrödinger Equation

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Zbigniew L. Gasyna and John C. Light

Department of Chemistry, The University of Chicago, Chicago, IL 60637-1403

J. Chem. Educ., 2002, 79 (1), p 133

DOI: 10.1021/ed079p133

Publication Date (Web): January 1, 2002

Abstract

A computational experiment is proposed in which the WKB approximation is applied in the solution of the Schrödinger equation. Energy levels of bound states are calculated for a diatomic oscillator for which the potential energy is defined by a simple function, such as the Morse or Lennard-Jones potential.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Curriculum

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry

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This article has been cited by 1 ACS Journal articles (1 most recent appear below).

Solution of the Schrödinger Equation for a Diatomic Oscillator Using Linear Algebra
Zbigniew L. Gasyna
Journal of Chemical Education2008 85 (6), 845
- Solution of the Schrödinger Equation for a Diatomic Oscillator Using Linear Algebra
  Zbigniew L. Gasyna
  Journal of Chemical Education2008 85 (6), 845
  Computational experiment is proposed in which a linear algebra method is applied to the solution of the Schrödinger equation for a diatomic oscillator. Calculations of the vibration–rotation spectrum for the HCl molecule are presented and the results show ...
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