NORMAL-MODE THEORY OF DIFFUSION IN LIQUIDS FOR A BROAD TEMPERATURE-RANGE

A theory based upon normal mode analysis (NMA) is used to calculate th e self-diffusion constant, D, in the unit density Lennard-Jones liquid . The theory, which uses no adjustable parameters, is in good agreemen t with computer simulation over the reduced temperature range 20 great er than or equal to T greater than or equal to 0.42. Thus NMA appears applicable to systems besides the cold liquids for which it was origin ally proposed. (C) 1995 American Institute of Physics.