POLARIZATION EFFECTS IN IONIC SYSTEMS FROM 1ST PRINCIPLES

A classical application of the Car-Parrinello method in the computer simulation of ionic systems is demonstrated. The induction effects in the interionic interactions are included in addition to the short-range repulsion and dispersion effects described by effective pair potentials. By representing...

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Bibliographic Details
Main Authors: Wilson, M, Madden, P
Format: Journal article
Published: 1993