{"product_id":"electronic-structure-calculations-for-solids-and-molecules-theory-and-computational-methods-hardback-9780521815918","title":"Electronic Structure Calculations for Solids and Molecules; Theory and Computational Methods (Hardback) 9780521815918","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eElectronic Structure Calculations for Solids and Molecules\u003c\/font\u003e\u003cbr\u003e\r\n\u003cfont size=\"5\"\u003eTheory and Computational Methods\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cem\u003eThis 2006 graduate textbook describes the theoretical approaches and computational techniques for studying electronic structure problems.\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003cp\u003e\u003cfont size=\"4\"\u003eJorge Kohanoff (Author)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780521815918, Cambridge University Press\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eHardback, published 29 June 2006\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e372 pages, 26 b\/w illus.\u003cbr\u003e24.4 x 17 x 2.2 cm, 0.79 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003eElectronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePreface\u003cbr\u003e List of symbols\u003cbr\u003e List of acronyms\u003cbr\u003e Part I. Theory: 1. The problem of the structure of matter\u003cbr\u003e 2. The electronic problem\u003cbr\u003e 3. Quantum many-body theory: chemical approaches\u003cbr\u003e 4. Density function theory\u003cbr\u003e 5. Exchange and correlation in DFT: approximation and their performance\u003cbr\u003e Part II. Computational Methods: 6. Solving the electronic problem in practice\u003cbr\u003e 7. Atomic pseudopotentials\u003cbr\u003e 8. Basis sets\u003cbr\u003e 9. Electronic structure methods\u003cbr\u003e 10. Simplified approaches to the electronic problem\u003cbr\u003e 11. Diagonalization and electronic self-consistency\u003cbr\u003e 12. First-principles molecular dynamics (Car-Parrinello)\u003cbr\u003e Index.\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Condensed matter physics [\u003ca title=\"See our other books on Condensed matter physics\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Condensed%20matter%20physics%20%5Bliquid%20state%20\u0026amp;%20solid%20state%20physics%5D%20%5BPHFC%5D%22\"\u003eliquid state \u0026amp; solid state physics PHFC\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Cambridge University Press","offers":[{"title":"Default Title","offer_id":46003686637848,"sku":"9780521815918","price":81.75,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/products\/9780521815918i_abc1b949-b686-4c39-a589-d9db9c1e82d6.jpg?v=1691368330","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/electronic-structure-calculations-for-solids-and-molecules-theory-and-computational-methods-hardback-9780521815918","provider":"Freshly Printed Books","version":"1.0","type":"link"}