Computing electron overlap integrals for Gausslet orbitals on cubic lattices

Xianrui Yin, Fereshteh Ghasempour, Christian B. Mendl

Gausslet orbitals on a cubic lattice, introduced in [Steven R. White, J. Chem. Phys. 147, 244102 (2017)], represent a localized, smooth, and systematically refineable basis set fea…