[CHM 331] CORRECTION

[Andrew J. Pounds]

Pardon that -- I was responding to another question.

On 11/09/2012 05:21 PM, Christine.O.Conroy wrote:
> I can't figure out 13.22. Do we have an equation that relates force 
> constant and fundamental vibration energy?

Yep -- it's back in chapter 9.


On 11/09/2012 07:06 PM, Andrew J. Pounds wrote:
> On 11/09/2012 05:36 PM, Christine.O.Conroy wrote:
>> Another question, for the last of your problems where we have to fit 
>> the data to the Morse potential what are the units of the two 
>> columns? Do you have any suggestions at how to get it to fit a Morse 
>> potential other than guessing values for a, De and Re?
>
>

The last two columns in table 13.4 are in electron volts.   After 
putting these things in the same units, use the techniques we used in 
class today to come up with initial guess for for De.  Table 13.4 
already gives you the value of Re which you can use an an initial guess 
for that parameter.  The only other value is a (or alpha depending on 
what reference you are using).   With some work at guessing the value of 
"a" you should be able to come up with a good initlal guess that will 
converge.




-- 
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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