On the computation of molecular auxiliary functions A(n) and B-n
Özet
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 less than or equal to n less than or equal to 60 and 25 less than or equal to pt less than or equal to 60.
