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Books > Science & Mathematics > Chemistry > Physical chemistry > Solid state chemistry

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Electronic Structure Methods for Complex Materials - The orthogonalized linear combination of atomic orbitals (Hardcover) Loot Price: R2,547

Discovery Miles 25 470

Repayment Terms: R239 pm x 12*

Electronic Structure Methods for Complex Materials - The orthogonalized linear combination of atomic orbitals (Hardcover):...

Electronic Structure Methods for Complex Materials - The orthogonalized linear combination of atomic orbitals (Hardcover)

Wai-Yim Ching, Paul Rulis

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Loot Price R2,547 Discovery Miles 25 470 | Repayment Terms: R239 pm x 12*

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Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

General

Imprint:	Oxford UniversityPress
Country of origin:	United Kingdom
Release date:	May 2012
First published:	July 2012
Authors:	Wai-Yim Ching • Paul Rulis
Dimensions:	248 x 196 x 25mm (L x W x T)
Format:	Hardcover
Pages:	326
ISBN-13:	978-0-19-957580-0
Categories:	Books > Science & Mathematics > Physics > States of matter > Condensed matter physics (liquids & solids) Books > Science & Mathematics > Physics > Thermodynamics & statistical physics > Statistical physics Books > Science & Mathematics > Chemistry > Physical chemistry > Solid state chemistry Books > Professional & Technical > Mechanical engineering & materials > Materials science > General Promotions
LSN:	0-19-957580-0
Barcode:	9780199575800