Polynomial Approximation of the Boys Function Optimized for High Performance Computing
Brzycki, Cory A.
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This study provides a method for finding a polynomial approximation of the Boys Function on a given arbitrary domain to a given arbitrary degree. Such an approximation would allow computer conducted that involves the Boys Function to be sped up through code parallelization. Current methods for evaluating the Boys Function rely on branching through division of domain that prevents parallelization. Remez algorithm is used to provide an approximation with coefficients for a degree 20 polynomial approximation listed for the first 32 Boys Functions. Matlab code is provided with directions on use and links to installation of libraries to allow other coefficients to be determined.