Radial distribution function: Difference between revisions

Revision as of 14:57, 30 March 2015

Revision as of 14:58, 30 March 2015

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Given a [[potential energy]] function, the radial distribution function can be computed either via computer simulation methods like the [[Monte Carlo method]], or via the [[Ornstein-Zernike equation]], using approximative closure relations like the [[Percus-Yevick approximation]] or the [[Hypernetted-chain equation|Hypernetted Chain Theory]]. It can also be determined experimentally, by radiation scattering techniques or by direct visualization for large enough (micrometer-sized) particles via traditional or confocal microscopy.

The radial distribution function is of fundamental importance since it can be used, using the [[Kirkwood–Buff solution theory]], to link the microscopic details to macroscopic properties. ByMoreover, by the reversion of the Kirkwood-Buff theory, it is possible to attain the microscopic details of the radial distribution function from the macroscopic properties.

in thermodynamics because the macroscopic thermodynamic quantities can usually be determined from <math>g(r)</math>. That can be done using which link this microscopic feature to the macroscopic

==Definition==