, Volume 56, Issue 5, pp 691-696

On the computation of molecular auxiliary functions A n and B n

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Abstract

Molecular auxiliary functions A n (p) and B n (pt), arising in the Hartree-Fock-Roothaan (HFR) approximation for molecules, Ewald’s crystal lattice theory, electromagnetic stopping theory, and other approximate methods, are evaluated and analysed in the range of 17≤n≤60 and 25≤pt≤60.