From: Ganesh Kamath (gkamath9173_at_gmail.com)
Date: Thu Oct 11 2012 - 09:08:37 CDT
I have a basic question: When we keep certain atoms fixed during a
what happens to the Lorentz Berthelot combining rules for the pair wise
the fixed atom and the surrounding non fixed atom.
Is keeping the atom fixed, an extreme form of constraint on reducing the
oscillations induced by
the harmonic potentials contributing to the energy of the pair wise
Can anyone please help me with this or direct to some literature.
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