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Information • Textbooks • Media • Resources
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JCE Online: Mathcad in the Chemistry Curriculum
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The Franck-Condon Factors: FranckCondonComputation.mcd
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Theresa Julia Zielinski
Department of Chemistry, Medical Technology, and Physics, Monmouth University, West Long Branch, NJ 07764
George M. Shalhoub
Department of Chemistry, La
Salle University, Philadelphia, PA 19141
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September 1998
Vol. 75 No. 9
p. 1192
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| Abstract |
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The goal of this document is to introduce some of
the mathematical models that are used to describe vibronic
spectra (vibration-electronic spectra) of molecules. After
completion of a study of the material presented in this
document and the exercises distributed throughout the document,
students are expected to be able to describe the relationship
between Franck-Condon factors and vibronic spectra,
explain the key factors determining the magnitude of the
Franck-Condon factors, compute Franck-Condon Factors, and
construct a vibronic spectrum for a molecule from a
knowledge of the wavelength of the electronic transition and the
number and the relative intensity of the vibronic peaks.
Along the way students are introduced to the idea of using a
complete orthonormal set of functions, in this case the
harmonic oscillator functions, as a linear combination to represent
another function. The final focus of the document is the
simulation of spectra in terms of the Franck-Condon factors.
The document contains many student exercises and it is
highly annotated for the novice Mathcad user. Faculty using
this document can easily modify the document to increase
student interaction with the mathematical content.
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| More Information |
 Citation |
Zielinski, Theresa Julia; Shalhoub, George M. J. Chem. Educ. 1998 75 1192.
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Keywords |
physical chem, internet, quantum chem, teaching, learning aids
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History |
Created:
Last Updated: |
June 21, 1999
June 24, 2005
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| Home > JCE Print > Journal of Chemical Education > Issues >
1998
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September
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1192
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