{"product_id":"electronic-structure-methods-for-complex-materials-the-orthogonalized-linear-combination-of-atomic-orbitals-9780199575800","title":"Electronic Structure Methods for Complex Materials: The Orthogonalized Linear Combination of Atomic Orbitals","description":"\u003cp\u003e • Author(s): Wai-Yim Ching | Paul Rulis\u003cbr\u003e • Publisher: Oxford University Press, USA\u003cbr\u003e • Publisher Imprint: Oxford University Press, USA\u003cbr\u003e • BISAC: Physics - Condensed Matter\u003c\/p\u003e\u003cp\u003eDensity 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.\u003cbr\u003e\u003c\/p\u003e","brand":"Oxford University Press, USA","offers":[{"title":"Hardcover","offer_id":47891108102295,"sku":"9780199575800","price":19305.0,"currency_code":"INR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0666\/3471\/1191\/files\/9780199575800.webp?v=1781182399","url":"https:\/\/atlanticbooks.com\/products\/electronic-structure-methods-for-complex-materials-the-orthogonalized-linear-combination-of-atomic-orbitals-9780199575800","provider":"Atlantic Books","version":"1.0","type":"link"}