{"product_id":"electronic-structure-methods-for-complex-materials","title":"Electronic Structure Methods for Complex Materials","description":"\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.\u003c\/p\u003e","brand":"Wai-Yim Ching","offers":[{"title":"Default Title","offer_id":43576416698429,"sku":"9780199575800","price":318.0,"currency_code":"AUD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0597\/7689\/2989\/files\/9780199575800.jpg?v=1788608870","url":"https:\/\/www.palmleaf.com.au\/products\/electronic-structure-methods-for-complex-materials","provider":"Palmleaf","version":"1.0","type":"link"}