Croatica Chemica Acta, Vol. 49 No. 1, 1977.
Short communication, Note
Gaussian Quadrature for Computation of the Auxiliary Integral Bn (y)
L. Jakab
; State Committee for Nuclear Energy, Institute of Stable Isotopes, P. 0 . Box 243, Cluj-Napoca, Romania
Abstract
The Gauss-Legendre quadrature formula is suggested to be
used for computation of the auxiliary integral B11 (y) in case when
y takes values near to zero. It is a111alytically shown and numerically
tested that the precision of the results raises as y approaches
zero. Owing to this property, this numerical procedure may be
helpful in computing overlap integrals over Slater type orbita1s
with nearly equal exponents.
Keywords
Hrčak ID:
196415
URI
Publication date:
25.3.1977.
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