Quantum Chemistry of Solids

Quantum Chemistry of Solids
Author :
Publisher : Springer Science & Business Media
Total Pages : 559
Release :
ISBN-10 : 9783540487487
ISBN-13 : 3540487484
Rating : 4/5 (484 Downloads)

Book Synopsis Quantum Chemistry of Solids by : Robert A. Evarestov

Download or read book Quantum Chemistry of Solids written by Robert A. Evarestov and published by Springer Science & Business Media. This book was released on 2007-08-16 with total page 559 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book 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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