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Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of ele

This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure

This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field

This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explai

The· simplest picture of an atom, a molecule or a solid is the picture of its distribution of charge. It is obtained by specifying the positions of the atomic