Functions and Analysis


Boys' Function Computed by Gauss-Jacobi Quadrature

Authors: Richard J. Mathar

Boys' Function F_m(z) that appears in the quantum mechanics of Gaussian Type Orbitals is a special case of Kummer's confluent hypergeometric function. We evaluate its integral representation of a product of a power and an exponential function over the unit interval with the numerical Gauss-Jacobi quadrature. We provide an implementation in C for real values of the argument z which basically employs a table of the weights and abscissae of the quadrature rule for integer quantum numbers m <= 129.

Comments: 48 Pages. Most of the content is the source code listing

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Submission history

[v1] 2017-09-20 07:24:33

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