M. Predota et al., Pair approximation for polarization interaction: efficient method for Monte Carlo simulations of polarizable fluids, MOLEC PHYS, 99(4), 2001, pp. 349-354
A new method is presented for the Monte Carlo simulations of polarizable mo
dels with induced dipole moments. This method updates induced dipole moment
s on all molecules when a single molecule is moved, without evaluating all
pair interactions. Thus, depending on the number of molecules, it is 10-20
times faster than Monte Carlo simulations with full iteration. The efficien
cy makes it a powerful tool for the study of phase equilibria of polarizabl
e models in grand canonical and Gibbs ensembles.