Pair distribution function

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For a fluid of particles, enclosed in a volume at a given temperature (canonical ensemble) interacting via the `central' intermolecular pair potential 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 \Phi(r)} , the two particle distribution function is defined as

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 {\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 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 \beta := 1/(k_BT)} , 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 [edit]

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 {\mathrm g}(r_{12}) + \frac{\Phi(r_{12})}{k_BT} - E(r_{12}) = n \int \left({\mathrm g}(r_{13}) -1 - \ln {\mathrm g}(r_{13}) - \frac{\Phi(r_{13})}{k_BT} - E(r_{13}) \right)({\mathrm 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|} .

See also[edit]

References[edit]

  1. J. S. Rowlinson "The equation of state of dense systems", Reports on Progress in Physics 28 pp. 169-199 (1965)
  2. N. G. Almarza and E. Lomba "Determination of the interaction potential from the pair distribution function: An inverse Monte Carlo technique", Physical Review E 68 011202 (2003)