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Electronegativity Equalization Models

In most electronegativity equalization models, if the energy is quadratic in the charges (as in Eq. [36]), the minimization condition (Eq. [41]) leads to a coupled set of linear equations for the charges. As with the polarizable point dipole and shell models, solving for the charges can be done by matrix inversion, iteration, or extended Lagrangian methods. [Pg.113]


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See also in sourсe #XX -- [ Pg.5 , Pg.9 ]




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Electronegativity equalization

Electronegativity model

Equal

Equaling

Equality

Equalization

The Pearson Model Electronegativity Equalization

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