Limpanuparb, Taweetham; Hollett, Joshua W.; Gill, Peter M. W.
We discuss the efficient computation of the auxiliary integrals that arise
when resolutions of two-electron operators (specifically, the Coulomb and
long-range Ewald operators) are employed in quantum chemical calculations. We
derive a recurrence relation that facilitates the generation of auxiliary
integrals for Gaussian basis functions of arbitrary angular momentum and
propose a near-optimal algorithm for its use.
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