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Visualization of Wavefunctions using Mathematica

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Patricia L. Lang and Marcy Hamby Towns

Ball State University, Department of Chemistry, Cooper Science Bldg, Muncie, IN 47306

J. Chem. Educ., 1998, 75 (4), p 506

DOI: 10.1021/ed075p506

Publication Date (Web): April 1, 1998

Section:

History, Education, and Documentation

Abstract

This paper presents computer-based laboratory activities which focuses student attention on the quantum mechanical models for translational motion, vibrational motion, and rotational motion. Using Mathematica, students investigated the two-dimensional particle in a box, the harmonic oscillator, and the particle on a sphere by graphing the wavefunction Ï and the probability density |Ï|². Student understanding and achievement was measured using a post-lab survey, an examination question, and a question on the semester final. Students stated that they developed a better understanding of the concept of a wavefunction and a probability density. On the semester final, 88% of the students could correctly identify pairs of degenerate two-dimensional particle in a box wavefunctions.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

Computer Bulletin Board

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Quantum Chemistry

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