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Here are my results for the Morse potential fit problem from HW6.<br>
<br>
If you used the data AS IS (distances in Angstroms, energies in
hartrees), the fit results were:<br>
<br>
Re = 1.1344<br>
a = 2.6977<br>
De = 0.291325<br>
<br>
If, however, you converted the energies to Electron Volts, the
results will be the same except for the value of De (which has to
get multiplied by 27.2)<br>
<br>
De = 7.92451<br>
<br>
Now, based on your fit options, you results might be slightly
different than the ones I have posted here, but they should not be
significantly different.<br>
<br>
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<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds@theochem.mercer.edu">pounds@theochem.mercer.edu</a>)
Associate Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
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