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- Charanbir Kaur, Upendra Harbola, Shankar P Das
- The Journal of chemical physics
- 2005

The empirical relation (D(*))(alpha) = a exp[S] between the self-diffusion coefficient D(*) and the excess entropy S of a liquid is studied here in the context of theoretical model calculation. The coefficient alpha is dependent on the interaction potential and shows a crossover at an intermediate density, where cooperative dynamics become more important.… (More)

- Charanbir Kaur, Shankar P Das
- Physical review letters
- 2002

The heterogeneous features of the supercooled state over different time regimes are explored in a self-consistent mode-coupling mode. The exponent a for the mean-square displacement <r(2)(t)> approximately t(a), of a tagged particle is computed. The non-Gaussian parameter alpha(2)(t) shows a peak in the short time regime in addition to a second peak over… (More)

A metastable state, characterized by a low degree of mass localization, is identified using density-functional theory (DFT). This free energy minimum, located through the proper evaluation of competing terms in the free energy functional, is independent of the specific form of the DFT used. Computer simulation results on particle motion indicate that this… (More)

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