libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
J. Hermann, M. Stöhr, Sz. Góger, S. Chaudhuri, B. Aradi, R. J. Maurer, A. Tkatchenko J. Chem. Phys. 159 , 174802 (2023) Many-body dispersion (MBD) is a powerful framework to treat van der Waals (vdW)