Section 3: Crystal Binding - University of Nebraska–Lincoln
To calculate binding energy we need to include Coulomb interactions with all atoms in the solid. Also we need to take into account the repulsive energy, which we assume to be exponential. Thus the interaction between two atoms i and j in a lattice is given by e rij / 2 / Uij q rij =λ− ρ±. (3.6)
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