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21: Bibliography R
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Universality properties of Gaussian quadrature, the derivative rule, and a novel approach to Stieltjes inversion.
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Computation of electron repulsion integrals using the Rys quadrature method.
J. Comput. Chem. 4 (2), pp. 154–175.
22: Bibliography E
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The numerical inversion of two classes of Kontorovich-Lebedev transform by direct quadrature.
J. Comput. Appl. Math. 61 (1), pp. 43–72.
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23: 18.39 Applications in the Physical Sciences
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►For many applications the natural weight functions are non-classical, and thus the OP’s and the determination of the Gaussian quadrature points and weights represent a computational challenge.
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Table 18.39.1: Typical Non-Classical Weight Functions Of Use In DVR Applicationsa
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►Full expressions for both and are given in Yamani and Reinhardt (1975) and it is seen that = where is the Gaussian-Pollaczek quadrature weight at , and is the Gaussian-Pollaczek weight function at the same quadrature abscissa.
This equivalent quadrature relationship, see Heller et al. (1973), Yamani and Reinhardt (1975), allows extraction of scattering information from the finite dimensional functions of (18.39.53), provided that such information involves potentials, or projections onto functions, exactly expressed, or well approximated, in the finite basis of (18.39.44).
The equivalent quadrature weight, , also forms the foundation of a novel inversion of the Stieltjes–Perron moment inversion discussed in §18.40(ii).
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Name of OP System | Notation | Applications | ||
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Multi-Exponential | Quadrature Sums of Exponentialsk | |||
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24: 10.74 Methods of Computation
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►For applications of generalized Gauss–Laguerre quadrature (§3.5(v)) to the evaluation of the modified Bessel functions for and see Gautschi (2002a).
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25: 13.29 Methods of Computation
26: 3.2 Linear Algebra
27: Bibliography B
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Numerical evaluation of the zero-order Hankel transform using Filon quadrature philosophy.
Appl. Math. Lett. 9 (5), pp. 21–26.
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New Aspects in Numerical Quadrature.
In Proc. Sympos. Appl. Math., Vol. XV,
pp. 199–218.
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Interpolation und genäherte Quadratur.
In Mathematische Hilfsmittel des Ingenieurs. Teil III, R. Sauer and I. Szabó (Eds.),
Die Grundlehren der mathematischen Wissenschaften in Einzeldarstellungen, Vol. 141, pp. 232–319.
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28: Bibliography H
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On an “equivalent quadrature” calculation of matrix elements of using an expansion technique.
J. Comput. Phys. 13, pp. 536–550.
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29: 18.36 Miscellaneous Polynomials
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►EOP’s are non-classical in that not only are certain polynomial orders missing, but, also, not all EOP polynomial zeros are within the integration range of their generating measure, and EOP-orthogonality properties do not allow development of Gaussian-type quadratures.
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