Quantum Chemistry of Solids
by Robert A. Evarestov
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Opis książki
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.
Szczegóły książki
Autor
Robert A. Evarestov
Wydawnictwo
Springer Berlin
Rok wydania
2007
ISBN
9783540487487
Dostępne formaty
eBook (PDF, EPUB)
Audiobook (MP3)
Język
Polski