This work develops a practical route to compute Coulomb and exchange integrals for atomistic nanostructures containing millions of atoms. It addresses a central computational bottleneck of configuration-interaction calculations at realistic system sizes.
Keywords: Coulomb integrals, linear scaling
Main result: Coulomb and exchange integrals for very large atomistic nanostructures can be computed efficiently enough for realistic many-body studies. The method turns previously prohibitive calculations into practical simulations.