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Using a Computer to Help Understand How Symmetry Principles Reduce Calculations

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Louis Kijewski

Department of Chemistry, Medical Technology, and Physics, Monmouth University, West Long Branch, NJ 07764

J. Chem. Educ., 2005, 82 (1), p 174

DOI: 10.1021/ed082p174.2

Publication Date (Web): January 1, 2005

Abstract

This Mathcad document uses symmetry to simplify the evaluation of an eigenvalue problem by reducing a matrix to sparse form, a form with many more zeroes in the off diagonal positions. The sparse matrix is then transformed to block diagonal form with each sub matrix diagonalized separately.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE SymMath

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Mathematics / Symbolic Mathematics

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

Dynamic Paper Constructions for Easier Visualization of Molecular Symmetry
Lawrence T. Sein, Jr.
Journal of Chemical Education2010 87 (8), 827-828
- Dynamic Paper Constructions for Easier Visualization of Molecular Symmetry
  Lawrence T. Sein, Jr.
  Journal of Chemical Education2010 87 (8), 827-828
  A system for construction of simple poster-board models is described. The models dynamically demonstrate the symmetry operations of proper rotation, improper rotation, reflection, and inversion for the chemically important point groups D3h, D4h, D5h, D6h, ...
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