June 1, 2021
Author(s)
Barry I. Schneider, Heman Gharibnejad, nicholas douguet, Luca Argenti, Jeppe Olsen
A common way to evaluate electronic integrals for polyatomic molecules is to use Becke's partitioning scheme [\colorblue}J. Chem. Phys. \bf 88}, 2547 (1988)}] in conjunction with multi- center grids of comparable size. Becke's scheme, however, is efficient