[CHM 331] Correction....

Andrew J. Pounds pounds_aj at mercer.edu
Sat Feb 4 10:01:30 EST 2017


If you haven't figured it out yet, I made a error when I wrote the 1D 
PIB basis functions on the board yesterday.  I wrote

$\phi_1(l,x)=\sqrt{\frac{l}{2}} \sin\left(\frac{\pi x}{l}\right)$


when it should have been...


$\phi_1(l,x)=\sqrt{\frac{2}{l}} \sin\left(\frac{\pi x}{l}\right)$


That's what I get for not looking at my notes.  Anyway, it should be an 
easy fix in your Mathematica notebooks.  The value of $c^2$ for $\phi_1$ 
should be 0.998555




-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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