Quantum Chemistry of Solids
Download or Read eBook Quantum Chemistry of Solids PDF 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.
| Author | : Robert A. Evarestov |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 559 |
| Release | : 2007-08-16 |
| ISBN-10 | : 9783540487487 |
| ISBN-13 | : 3540487484 |
| Rating | : 4/5 (87 Downloads) |
Book Synopsis Quantum Chemistry of Solids by : Robert A. Evarestov
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.
