[CSC 335] Help with Gauss-Laguerre

[Andrew J. Pounds]

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...

def fofx(x):
     r = x*0.529e-10
     Z = 1.0
     a0 = 0.529e-10
     a = 1.0 / (4.0 * math.sqrt(2.0*math.pi))*math.pow(Z/a0,3.0/2.0)
     b = 2.0 - Z/a0*r
     c = math.exp(-(Z/a0*r)/2.0)
     psi = a*b*c
     return psi*psi*math.pow(r,3)


and my gaussian quadrature summation in python looks like

sum +=  W[i] * fofx(X[i]) * math.exp(X[i])

where the W[i] and X[i] are the weights and abscissi respectively.


-- 
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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