Duh Haymet: Difference between revisions
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Carl McBride (talk | contribs) m (New page: The '''Duh-Haymet''' (Ref. 1) (1995) Padé (3/2) approximation for the Bridge function for the Lennard Jones system is (Eq. 13) <math>B(\gamma^{*})= - \frac{1}{2} \gamma^{*2} \left...) |
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<math>B(\gamma^{*})= - \frac{1}{2} \gamma^{*2} \left[ \frac{1}{ \left[ 1+ \left( \frac{5\gamma^{*} +11}{7\gamma^{*} +9} \right) \gamma^{*} \right]} \right]</math> | :<math>B(\gamma^{*})= - \frac{1}{2} \gamma^{*2} \left[ \frac{1}{ \left[ 1+ \left( \frac{5\gamma^{*} +11}{7\gamma^{*} +9} \right) \gamma^{*} \right]} \right]</math> | ||
where (Eq. 10) <math>\gamma^{*}(r) = \gamma (r) - \beta \Phi_p(r)</math> where <math>\Phi_p (r)</math> is the perturbative part of the pair potential | where (Eq. 10) <math>\gamma^{*}(r) = \gamma (r) - \beta \Phi_p(r)</math> where <math>\Phi_p (r)</math> is the perturbative part of the pair potential | ||
Revision as of 14:20, 23 February 2007
The Duh-Haymet (Ref. 1) (1995) Padé (3/2) approximation for the Bridge function for the Lennard Jones system is (Eq. 13)
![{\displaystyle B(\gamma ^{*})=-{\frac {1}{2}}\gamma ^{*2}\left[{\frac {1}{\left[1+\left({\frac {5\gamma ^{*}+11}{7\gamma ^{*}+9}}\right)\gamma ^{*}\right]}}\right]}](https://wikimedia.org/api/rest_v1/media/math/render/svg/40d3b88c73a1428d4991636c5c01e10004c24296)
where (Eq. 10) where is the perturbative part of the pair potential (Note: in the WCA separation for the Lennard Jones system, the `perturbative part' is the attractive part).
References
- [JCP_1995_103_02625]