JCE
Learning Molecular Geometry & Symmetry Through Quantum Computations and Mathcad™ Exercises©
Franklin M.C. Chen
Department of Chemistry
University of Wisconsin-Green Bay
Green Bay, WI 54311-7001
United States
mail to: chenf@uwgb.edu



Abstract
This Mathcad™ template is intended to help students learn about molecular geometry and symmetry calculations based on the coordinate data that are generated from quantum computation software such as HyperChem™. Typically, students taking quantum mechanics class at junior year of college have been exposed to vector calculus and matrix algebra. The molecular coordinate data serve as excellent real-world materials for students to appreciate the applications of linear algebra and to refresh their algebra learning experiences about linear transformations. In working with molecular linear transformations through hand-on exercise, students will learn about fundamental properties of quantum and symmetry operators.
Commentary
Editor's Commentary
Keywords
Audiences: Upper-Division Undergraduate
Pedagogies: Computer-Based Learning
Domains: Physical Chemistry
Topics: Group Theory / Symmetry, Mathematics / Symbolic Mathematics, Quantum Chemistry
Documents
File NameDescriptionSoftware TypeSoftware Version
HOLSymmetry.pdf Read-Only Document
HOLSymmetry.mcd JCE Mathcad 2001i Computational Document Mathcad 2001i
JCE JCE Subscribers only: name and password or institutional IP number access required.
Citations
Chen, Franklin M. C. J. Chem. Educ. 2005, 82, 174.
Comments to: chenf@uwgb.edu
©Copyright 2005 Journal of Chemical Education