exploring the harmonic oscillator wave functions

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1232 Journal of Chemical Education Vol. 84 No. 7 July 2007 www.JCE.DivCHED.org Information Textbooks Media Resources Exploring the Harmonic Oscillator Wave Functions by Theresa Julia Zielinski, Department of Chemistry, Medical Technology, and Physics, Monmouth University, West Long Branch, NJ 07764; [email protected] File Names: HOExploration11.mcd, HOExploration11.pdf Keywords: Upper-Division Undergraduate; Physical Chemistry; Computer-Based Learning; Chemometrics; Mathematics/Sym- bolic Mathematics; Quantum Chemistry Requires Mathcad 11 or higher The goal of this document is to have students explore the solutions to the quantum mechanical harmonic oscil- lator Schrödinger equation. Students do this by examining the exponential component, generating the various Hermite polynomials, and then creating the final HO wave functions as a product of a normalization factor, the exponential compo- nent, and a Hermite polynomial. Students also prepare plots of several harmonic oscillator wave functions and probability densities. The plots created with Mathcad provide an effec- tive way for students to draw their own figures and master understanding of the concepts involved. Finally, students can examine the plots at both high and low quantum numbers and correlate their observations with classical harmonic oscillator predictions of maximum and minimum kinetic energy and maximum probability of the extension of the oscillator. Plots of 1st, 2nd, and 4th harmonic oscillator wave functions drawn with Mathcad. Students can generate many such plots and explore their properties. JCE SymMath: Symbolic Mathematics in Chemistry edited by Theresa Julia Zielinski Monmouth University West Long Branch, NJ 07764-1898

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Page 1: Exploring the Harmonic Oscillator Wave Functions

1232 JournalofChemicalEducation • Vol.84 No.7 July2007 • www.JCE.DivCHED.org

Information  •  Textbooks  •  Media  •  Resources

Exploring the Harmonic Oscillator Wave  Functions

byTheresaJuliaZielinski,DepartmentofChemistry,MedicalTechnology,andPhysics,MonmouthUniversity,WestLongBranch,NJ07764;[email protected]

FileNames:HOExploration11.mcd,HOExploration11.pdf

Keywords:Upper-DivisionUndergraduate;PhysicalChemistry;Computer-BasedLearning;Chemometrics;Mathematics/Sym-bolicMathematics;QuantumChemistry

RequiresMathcad11orhigher

The goal of this document is to have students explore the solutions to the quantum mechanical harmonic oscil-lator Schrödinger equation. Students do this by examining the exponential component, generating the various Hermite polynomials, and then creating the final HO wave functions as a product of a normalization factor, the exponential compo-nent, and a Hermite polynomial. Students also prepare plots of several harmonic oscillator wave functions and probability densities. The plots created with Mathcad provide an effec-tive way for students to draw their own figures and master understanding of the concepts involved. Finally, students can examine the plots at both high and low quantum numbers and

correlate their observations with classical harmonic oscillator predictions of maximum and minimum kinetic energy and maximum probability of the extension of the oscillator.

Plotsof1st,2nd,and4thharmonicoscillatorwavefunctionsdrawnwithMathcad.Studentscangeneratemanysuchplotsandexploretheirproperties.

JCE SymMath: Symbolic Mathematics in Chemistryeditedby

TheresaJuliaZielinskiMonmouthUniversity

WestLongBranch,NJ07764-1898