Integration of 6-12 Lennard Jones Potential to obtain the 3-9 one.

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The discussion focuses on the integration of the Lennard-Jones potential, specifically transitioning from the 6-12 potential to the 3-9 potential. The user sought clarification on the limits of triple integrals related to this transformation, particularly concerning the variable z. The solution was found in the referenced SklogWiki article, which explains that the limits are defined by the position of a molecule relative to a diffuse solid, specifically in the region where x is less than 0.

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Kjiel
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Hi people,

I'm researching about the interactions of two carbon atoms using the Lennard-Jones potential and I need to know the theory behind some equations.

I need to know how to get from the 6-12 potential the 3-9 one. I've found in this link ( http://www.sklogwiki.org/SklogWiki/index.php/9-3_Lennard-Jones_potential ) a brilliant deduction of what I want applying triple integrals. I understand everything except the limits of the integral respect to z.

From -x to -∞? Why's that?

If someone could throw some light to this issue I would be really grateful.

Thank you in advanced.

Kind regards!
 
Last edited:
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I'm sorry you are not finding help at the moment. Is there any additional information you can share with us?
 
Hi! Thanks for your concern. I got the answer several days ago and it was in front on my eyes. In the very webpage it can be read that a molecule is located at an "x" distance from a diffuse solid in the region x < 0... so there's the answer.

Thanks again!
 

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