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Volumn 77, Issue 6, 2008, Pages

Free-energy landscape for a tagged particle in a dense hard-sphere fluid

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; DENSITY FUNCTIONAL THEORY; DISTRIBUTION FUNCTIONS; ENERGY BARRIERS; FLUIDICS; FLUIDS; FREE ENERGY; PROBABILITY DENSITY FUNCTION; SPHERES; THREE DIMENSIONAL;

EID: 44849138184     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.77.061503     Document Type: Article
Times cited : (12)

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    • The relative error can be estimated as follows. We first define the free-energy barrier and that for a particle as F and fF/ NCRR, respectively. Since the FEL is obtained by displacing the tagged particle and relaxing other particles, the difference from the saddle point, ΔF, can be expressed as Δ (NCRR f) ∼Δ NCRR Δf∼Δf. Therefore, the relative error is given by 1/ NCRR, which is of the order of a few percent.
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