Sharma, Puneet ; Tankeshwar, K. ; Pathak, K. N. ; Ranganathan, S. (2003) Binary and multiparticle contributions to the velocity autocorrelation function Physical Review E - Statistical, Nonlinear and Soft Matter Physics, 68 (2). 021202_1-021202_6. ISSN 1539-3755
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Official URL: http://pre.aps.org/abstract/PRE/v68/i2/e021202
Related URL: http://dx.doi.org/10.1103/PhysRevE.68.021202
Abstract
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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 55941 |
| Deposited On: | 22 Aug 2011 13:07 |
| Last Modified: | 22 Aug 2011 13:07 |
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