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Robert A. Evarestov - Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals - 9783642080227 - V9783642080227
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Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals

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Description for Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals paperback. Series: Springer Series in Solid-State Sciences. Num Pages: 560 pages, 78 black & white illustrations, 126 black & white tables, biography. BIC Classification: PNRP. Category: (P) Professional & Vocational. Dimension: 234 x 156 x 29. Weight in Grams: 872.

Quantum Chemistry of Solids 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 (Hartree-Fock), density-based (DFT) and hybrid hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid-state physics and real-space quantum chemistry methods in the framework of cyclic model of an infinite crystal. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized ... Read more

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Product Details

Format
Paperback
Publication date
2010
Publisher
Springer Germany
Number of pages
560
Condition
New
Series
Springer Series in Solid-State Sciences
Number of Pages
560
Place of Publication
Berlin, Germany
ISBN
9783642080227
SKU
V9783642080227
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15

About Robert A. Evarestov
Born 1937 in St.Petersburg (Russia). A study of Theoretical Physics at St.Petersburg State University ( SPBU).1964 PhD. From 1964 to 1968 assistant at SPBU, mathematical physics department. From 1968-quantum chemistry department at SPBU-associate Professor (1968). Professor (1979),since 1995 Head of Quantum Chemistry Department , SPBU. Full Member of Russian Academy of Natural Sciences (1992),Humboldt Foundation award winner ( 1998), foreign ... Read more

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