Publikationen

Neese, F.; Colinet, P.; DeSouza, B.; Helmich-Paris, B.; Wennmohs, F.; Becker, U.: The “Bubblepole” (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting. The Journal of Physical Chemistry A 129 (10), pp. 2618 - 2637 (2025)

Colinet, P.; Neese, F.; Helmich-Paris, B.: Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method. Journal of Computational Chemistry 46 (1), e27532 (2025)