Radial distribution function: Difference between revisions

Revision as of 19:10, 23 May 2014

Revision as of 14:04, 8 September 2014

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The radial distribution function is an important measure because several key thermodynamic properties, such as potential energy and pressure can be calculated from it.

For a 3-D system where particles interact via pairwise potentials, the potential energy of the system can be calculated as follows:<ref name=softmatter>{{cite book|last=SmitFrenkel|first=Daan FrenkelSmit, Berend|title=Understanding molecular simulation from algorithms to applications|year=2002|publisher=Academic Press|___location=San Diego|isbn=0122673514|edition=2nd ed.}}</ref>

<math>PE=\frac{N}{2}4\pi\rho\int^{\infty}_0r^2u(r)g(r)dr </math>