8-6 Lennard-Jones potential: Difference between revisions
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Carl McBride (talk | contribs) (New page: The '''8-6 Lennard-Jones potential''' (also known as the 6-8 potential) is a variant the more well known Lennard-Jones model. It is particularly useful for computing non-bonded interac...) |
Carl McBride (talk | contribs) m (Added a See Also section) |
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* <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math> | * <math> \sigma </math> is the diameter (length), ''i.e.'' the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math> | ||
* <math> \epsilon </math> is the well depth (energy) | * <math> \epsilon </math> is the well depth (energy) | ||
==See also== | |||
*[[9-6 Lennard-Jones potential]] | |||
==References== | ==References== | ||
<references/> | <references/> | ||
[[category: models]] | [[category: models]] | ||
Revision as of 15:44, 3 February 2010
The 8-6 Lennard-Jones potential (also known as the 6-8 potential) is a variant the more well known Lennard-Jones model. It is particularly useful for computing non-bonded interactions. The potential is given by (Eq. 4 in[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 \Phi_{12}(r) = \epsilon \left[ 3\left(\frac{\sigma}{r} \right)^{8} - 4\left( \frac{\sigma}{r}\right)^6 \right] }
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 r := |\mathbf{r}_1 - \mathbf{r}_2|}
- 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_{12}(r) } is the intermolecular pair potential between two particles or sites
- 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 \sigma } is the diameter (length), i.e. the value of 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} at which 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_{12}(r)=0}
- 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 \epsilon } is the well depth (energy)