Abstract
Generalized Langevin dynamics (GLD) method for the computer simulation of the time evolution of a subsystem has been tested against the molecular dynamics (MD) simulation of the complete system. A semi-empirical procedure for obtaining effective memory functions which include the average effects of the indirect solute-solvent-solute interactions is proposed. GLD simulations using these effective memory functions, which are dependent on the solute concentration, produce acceptable solute time correlation functions.
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