[CHM 331] Lineshape Problem in Steiner
Andrew J. Pounds
pounds_aj at mercer.edu
Tue Sep 4 11:27:30 EDT 2012
I have gotten one question related to this -- so I thought I would go
ahead and send out an e-mail about it. When you try to solve the
lineshape problem in Steiner (prob 38 on page 188) using Mathematica it
will most likely fail. This is because Mathematica needs to know a
little more about the variables in your problem. Specifically we need
to tell Mathematica that omega is an element of the reals and that T is
greater than zero.
After you type in the integral in Mathmatica, add the following to the
integration command
Assumptions -> { <ESC>omega<ESC>0 <ESC> elem <ESC> Reals, T > 0}]
<ESC> means hit the escape key.
You should get something much more meaningful...
--
Andrew J. Pounds, Ph.D. (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
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