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Minimizing energy for external field

  1. Oct 14, 2015 #1
    Hi, I have solved the Huckel hamiltonina for a carbon ring of 6 carbon atoms and now I want to place a charged particle near the ring and examine the energy versus the position of the charged particle using a simple Coulomb potential V(r), i.e the total hamiltoian is Huckel+V(r).

    My question is, since I already have the solution for the first part, and since the second part is a one-particle operator, is it enough to minimize the energy for the second part only? I mean to find the minimum of the sum of the <i|V(r)|i>?
     
  2. jcsd
  3. Oct 16, 2015 #2

    DrClaude

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    Staff: Mentor

    What you want to do is basically perturbation theory, so it will work so long as V(r) can be seen as a perturbation, i.e., when the charged particle is far enough away.
     
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