Hhh. Homeier et Eo. Steinborn, A GAUSSIAN QUADRATURE FOR THE OPTIMAL EVALUATION OF INTEGRALS INVOLVING LORENTZIANS OVER A SEMIINFINITE INTERVAL - COMMENT, Computer physics communications, 99(1), 1996, pp. 77-80
Gauss quadrature rules corresponding to weight functions (1 + x(2))(-n
) on the interval (0,infinity) have been proposed (R.P. Sagar, V.H. Sm
ith Jr. and A.M. Simas, Comput. Phys. Commun. 62 (1991) 16) for the ev
aluation of atomic momentum expectation values. In this comment it is
shown that by using Gauss-Rational quadrature rules the results of Sag
ar et al. can be improved considerably for higher accuracy demands. In
addition, it is pointed out that up to now there is no sufficient pro
of that their procedure is convergent. The usual proof for Gauss rules
does not apply. The reason is that for weight functions of the above
form a complete orthogonal system of polynomials is not available due
to the divergence of the higher moment integrals.