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2015-05-14T09:06:20Z

Added {{lowercase title}} tag

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	The '''m-6-8 potential function''' <ref>[http://dx.doi.org/10.1063/1.1674009 Max Klein and H. J. M. Hanley "m–6–8 Potential Function", Journal of Chemical Physics '''53''' pp. 4722-4723 (1970)]</ref> is given by (Eq. 1)		The '''m-6-8 potential function''' <ref>[http://dx.doi.org/10.1063/1.1674009 Max Klein and H. J. M. Hanley "m–6–8 Potential Function", Journal of Chemical Physics '''53''' pp. 4722-4723 (1970)]</ref> is given by (Eq. 1)

Carl McBride: Created page with "The '''m-6-8 potential function''' [http://dx.doi.org/10.1063/1.1674009 Max Klein and H. J. M. Hanley "m–6–8 Potential Function", Journal of Chemical Physics '''53'''..."

2012-02-21T11:43:59Z

Created page with "The '''m-6-8 potential function''' <ref>[http://dx.doi.org/10.1063/1.1674009 Max Klein and H. J. M. Hanley "m–6–8 Potential Function", Journal of Chemical Physics '''53'''..."

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The '''m-6-8 potential function''' <ref>[http://dx.doi.org/10.1063/1.1674009 Max Klein and H. J. M. Hanley "m–6–8 Potential Function", Journal of Chemical Physics '''53''' pp. 4722-4723 (1970)]</ref> is given by (Eq. 1)

:<math>\Phi_{12}(r) = \frac{A}{r^m} - \frac{C_6}{r^6} -\frac{C_8}{r^8}</math>

where <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>
and <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites''.
<math>A</math> is the coefficient corresponding to the repulsive term, and <math>C_6</math> and <math>C_8</math> are the coefficients corresponding to the
attractive inverse sixth and eighth powers respectively.

This expression can be rewritten in the reduced form (Eq. 2):

:<math>\Phi^*_{12}(r^*) = \left[ \frac{1}{m-6} \right] \left[ 6+2\gamma \right] \left( \frac{1}{r^*} \right)^m - \left[ \frac{1}{m-6} \right] \left[ m-\gamma(m-8)\right]\left( \frac{1}{r^*} \right)^6 - \frac{\gamma}{r^{*8}} </math>

where <math>\Phi^* = \Phi/\epsilon</math>, <math>r^* = r/r_m</math> and <math>\gamma = C_8/r_m^8</math>. <math>\epsilon</math> is the "well" depth, and <math>r_m</math> is the intermolecular separation at the maximum well depth.

==References==
<references/>
;Related reading
*[http://dx.doi.org/10.1063/1.1677925 R. E. Caligaris and A. E. Rodriguez "On the m‐6–8 Potential Function", Journal of Chemical Physics '''56''' pp. 4715-4716 (1972)]
[[Category: Models]]

M-6-8 potential function - Revision history

Carl McBride: Added {{lowercase title}} tag

Carl McBride: Created page with "The '''m-6-8 potential function''' [http://dx.doi.org/10.1063/1.1674009 Max Klein and H. J. M. Hanley "m–6–8 Potential Function", Journal of Chemical Physics '''53'''..."