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

  1. 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: Aug 5, 2014
  2. jcsd
  3. Greg Bernhardt

    Staff: Admin

    I'm sorry you are not finding help at the moment. Is there any additional information you can share with us?
     
  4. 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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