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Born-Oppenheimer approximation in MD

  1. Nov 17, 2014 #1
    How is the Born-Oppenheimer approximation used in Molecular Dynamics simulations?

    And in which situations does it break down?
  2. jcsd
  3. Nov 17, 2014 #2


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    Staff: Mentor

    Last edited by a moderator: May 7, 2017
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