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<font face="serif">Gentlemen -- some of you seem to be having
difficulty unravelling the Gauss-Laguerre quadrature problem I
gave you. To give you a hand, here is my definition of the
integrand in python...<br>
<br>
<font face="Courier New, Courier, monospace">def fofx(x):<br>
r = x*0.529e-10<br>
Z = 1.0<br>
a0 = 0.529e-10<br>
a = 1.0 / (4.0 *
math.sqrt(2.0*math.pi))*math.pow(Z/a0,3.0/2.0)<br>
b = 2.0 - Z/a0*r<br>
c = math.exp(-(Z/a0*r)/2.0)<br>
psi = a*b*c<br>
return psi*psi*math.pow(r,3)</font><br>
<br>
<br>
and my gaussian quadrature summation in python looks like<br>
<br>
<font face="Courier New, Courier, monospace">sum += W[i] *
fofx(X[i]) * math.exp(X[i])</font><br>
<br>
where the W[i] and X[i] are the weights and abscissi respectively.<br>
<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_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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