C. Millot et al., STATIC DIELECTRIC-CONSTANT OF THE POLARIZABLE STOCKMAYER FLUID - COMPARISON OF THE LATTICE SUMMATION AND REACTION FIELD METHODS, Molecular simulation, 18(6), 1996, pp. 367-383
The static dielectric constant of the polarizable Stockmayer fluid is
computed through Molecular Dynamics simulations where long range elect
rostatic interactions are computed either by reaction field or by latt
ice summation method (Ladd expansion). The effects on the simulated di
electric constant of the truncation of the Ladd expansion and of the c
utoff distance in reaction field geometry have been explored for diffe
rent values of the polarizability.