Binary and multiparticle contributions to the velocity autocorrelation function.
A method for including the contribution of many-body correlation effects to the microscopically obtained results of the two-body contribution to the velocity autocorrelation has been proposed. A significant improvement over the results obtained through only binary contribution has been found, as can be judged by comparing the results for force and velocity autocorrelation functions of Lennard Jones fluids with that of molecular dynamic simulations. The agreement of results of self-diffusion coefficient is also quite good with simulation data over a wide range of densities and temperatures.
Sharma
Puneet
P
Centre of Advanced Study in Physics, Panjab University, Chandigarh- 160 014, India.
Tankeshwar
K
K
Pathak
K N
KN
Ranganathan
S
S