Pair distribution function: Difference between revisions
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See Eq. 5.10 of Ref. 1: | See Eq. 5.10 of Ref. 1: | ||
:<math>\ln g(r_{12}) + \frac{\Phi(r_{12})}{kT} - E(r_{12}) = n \int \left(g(r_{13}) -1 - \ln g(r_{13}) - \frac{\Phi(r_{13})}{kT} - E(r_{13}) \right)(g(r_{23}) -1) ~{\rm d} | :<math>\ln g(r_{12}) + \frac{\Phi(r_{12})}{kT} - E(r_{12}) = n \int \left(g(r_{13}) -1 - \ln g(r_{13}) - \frac{\Phi(r_{13})}{kT} - E(r_{13}) \right)(g(r_{23}) -1) ~{\rm d}{\mathbf r}_3</math> | ||
where <math>r_{12} = |{\mathbf r}_2 - {\mathbf r}_1|</math>. | where, ''i.e.'' <math>r_{12} = |{\mathbf r}_2 - {\mathbf r}_1|</math>. | ||
==See also== | ==See also== | ||
*[[Radial distribution function]] | *[[Radial distribution function]] | ||
Revision as of 17:09, 10 July 2007
For a fluid of particles, enclosed in a volume at a given temperature (canonical ensemble) interacting via the `central' intermolecular pair potential , the two particle distribution function is defined as
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle {\rm {g}}_{N}^{(2)}({\mathbf {r} }_{1},{\mathbf {r} }_{2})=V^{2}{\frac {\int ...\int e^{-\beta \Phi ({\mathbf {r} }_{1},...,{\mathbf {r} }_{N})}{\rm {d}}{\mathbf {r} }_{3}...{\rm {d}}{\mathbf {r} }_{N}}{\int e^{-\beta \Phi ({\mathbf {r} }_{1},...,{\mathbf {r} }_{N})}{\rm {d}}{\mathbf {r} }_{1}...{\rm {d}}{\mathbf {r} }_{N}}}}
where , where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle k_B} is the Boltzmann constant.
Exact convolution equation for Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle g(r)}
See Eq. 5.10 of Ref. 1:
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \ln g(r_{12}) + \frac{\Phi(r_{12})}{kT} - E(r_{12}) = n \int \left(g(r_{13}) -1 - \ln g(r_{13}) - \frac{\Phi(r_{13})}{kT} - E(r_{13}) \right)(g(r_{23}) -1) ~{\rm d}{\mathbf r}_3}
where, i.e. Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle r_{12} = |{\mathbf r}_2 - {\mathbf r}_1|} .