Comparing induced point-dipoles and Drude oscillators

Michael Schmollngruber, Volker Lesch, Christian Schröder, Andreas Heuer, Othmar Steinhauser
2015 Physical Chemistry, Chemical Physics - PCCP  
This work compares the two major methods to introduce polarisability in Molecular Dynamics simulations: induced point-dipoles and Drude oscillators.
doi:10.1039/c4cp04512b pmid:25425140 fatcat:uolquosg5zas3cxabknbtc6ywi