Fourier Representation Methods in Electronic Structure Studies of Crystals and Polymers

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Abstract

A complete theoretical approach to electronic structures of infinitely extended periodic systems must include two features. That which has tended to receive more attention is the effect of neighboring groups on the charge distribution in the vicinity of each atom of the system. The other feature, often not explicitly discussed, is the long-range effect of the inifite amount of charge (of both signs) of which the system is composed.