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  Home > JCE Print > Journal of Chemical Education > Issues > 2007  > November  >
Information • Textbooks • Media • Resources
JCE SymMath: Symbolic Mathematics in Chemistry
Construction of the Electronic Angular Wave Functions and Probability Distributions of the Hydrogen Atom
Thomas S. Kuntzleman
Department of Chemistry, Spring Arbor University, Spring Arbor, MI 49283

Mark Ellison
Department of Chemistry, Ursinus College, Collegeville, PA 19426

John Tippin
Department of Mathematics, Spring Arbor University, Spring Arbor, MI 49283

Cover
November 2007
Vol. 84 No. 11
p. 1886

Abstract
This Mathcad document allows students to explore the characteristics of the components of the angular electronic wave function of the hydrogen atom, Ylm(Θ, φ). Within this exercise, Ylm(Θ, φ) is separated into three parts: the normalization constant, a polynomial function and an exponential function. After choosing quantum numbers l and m, users can evaluate and graphically display the component functions of Ylm(Θ, φ) separately. After combining these components, the entire wave function is constructed and a graph of its associated probability density is displayed. Users have the opportunity to discover when, why and how linear combinations of the exponential portion of Ylm(Θ, φ) are used in constructing orbital plots that are normally displayed in textbooks. In addition, students gain a mathematical understanding of why the quantum number m can only vary from −l to l.

The first five Legendre Polynomials, Leg(order,x) as a function of x.

Supplement
Fully interactive computer algebra files are available in the JCE SymMath collection of the JCE Digital Library Only@JCE Online.
More Information
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Citation
Kuntzleman, Thomas S.; Ellison, Mark; Tippin, John. J. Chem. Educ. 2007, 84, 1886.
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Keywords
Chemometrics; Computer-Based Learning; Mathematics / Symbolic Mathematics; Physical Chemistry; Quantum Chemistry; Upper-Division Undergraduate
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History
Created:
Last Updated:
9/19/2007
9/27/2007
  Home > JCE Print > Journal of Chemical Education > Issues > 2007  > November  > Page 1886


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