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Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals By Robert A. Evarestov Book PDF

Author : Robert A. Evarestov

Series : Springer Series in solid-state sciences volume 153

Years : 2007

Pages : 559

ISBN : 3540487468, 9783540487463, 9783540487487

Language : English

This book Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals PDF delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems.

The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.

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1.8k shares, 334 points

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