Recurrence relations for four-electron integrals over Gaussian basis functions

Abstract

In the spirit of the Head-Gordon-Pople algorithm, we report vertical, transfer and horizontal recurrence relations for the efficient and accurate computation of four-electron integrals over Gaussian basis functions. Our recursive approach is a generalization of our algorithm for three-electron integrals [J.~Chem.~Theory Comput.~12, 1735 (2016)]. The RRs derived in the present study can be applied to a general class of multiplicative four-electron operators. In particular, we consider various types of four-electron integrals that may arise in explicitly-correlated F12 methods.

arXiv comment11 pages, 3 figures and 2 tables

References in corpus (1)

• Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals

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