{"product_id":"methods-of-electronic-structure-calculations-from-molecules-to-solids-paperback-softback-9780471979760","title":"Methods of Electronic-Structure Calculations; From Molecules to Solids (Paperback \/ softback) 9780471979760","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eMethods of Electronic-Structure Calculations\u003c\/font\u003e\u003cbr\u003e\r\n\u003cfont size=\"5\"\u003eFrom Molecules to Solids\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\r\n\u003cp\u003e\u003cfont size=\"4\"\u003eMichael Springborg (Author)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780471979760, Wiley\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePaperback \/ softback, published 30 May 2000\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e516 pages\u003cbr\u003e23.2 x 15.5 x 2.9 cm, 0.794 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cem\u003e\u003cfont size=\"3\"\u003e\"..an admirable attempt to cover the whole of modern electronic-structure calculations and is a must-have for anyone studying or actively researching in this field.\" (Contemporary Physics, Vol.43, No.3, 2002)\u003c\/font\u003e\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003eIm Laufe der vergangenen 30 Jahre hat die Bedeutung von Berechnungen der elektronischen Struktur und der Eigenschaften chemischer Verbindungen ständig zugenommen. Der Autor dieses Bandes gibt hier einen interdisziplinär angelegten Überblick über dieses Grenzgebiet zwischen Chemie und Physik . Schwerpunkte bilden die zugrunde liegenden physikalischen und mathematischen Prinzipien. So lernt der Leser, unter welchen Bedingungen verschiedene methodische Ansätze auf die einzelnen Stoffklassen angewendet werden können. (09\/00)\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePRELIMINARIES.\u003cbr\u003e \u003cbr\u003e Operators.\u003cbr\u003e \u003cbr\u003e Eigenvalues and Eigenfunctions.\u003cbr\u003e \u003cbr\u003e Factorization;\u003cbr\u003e Time and Spin Dependence.\u003cbr\u003e \u003cbr\u003e Variational Principle;\u003cbr\u003e Lagrange Multipliers.\u003cbr\u003e \u003cbr\u003e Perturbation Theory.\u003cbr\u003e \u003cbr\u003e Symmetry and Group Theory.\u003cbr\u003e \u003cbr\u003e BASIC METHODS.\u003cbr\u003e \u003cbr\u003e The Schrödinger Equation and the Born-Oppenheimer Approximation.\u003cbr\u003e \u003cbr\u003e The Hartree, Hartree-Fock, and Hartree-Fock-Roothaan Methods.\u003cbr\u003e \u003cbr\u003e Basis Sets.\u003cbr\u003e \u003cbr\u003e Semiempirical Methods.\u003cbr\u003e \u003cbr\u003e Creation and Annihilation Operators.\u003cbr\u003e \u003cbr\u003e Correlation Effects.\u003cbr\u003e \u003cbr\u003e Where are the Electrons and Atoms?\u003cbr\u003e \u003cbr\u003e Density Functional Theory.\u003cbr\u003e \u003cbr\u003e Some Simplifications and Technical Details.\u003cbr\u003e \u003cbr\u003e Green's Function.\u003cbr\u003e \u003cbr\u003e SPECIAL PROPERTIES.\u003cbr\u003e \u003cbr\u003e Acidity and Basicity;\u003cbr\u003e Hardness and Softness.\u003cbr\u003e \u003cbr\u003e Periodicity and Band Structures.\u003cbr\u003e \u003cbr\u003e Structure and Forces.\u003cbr\u003e \u003cbr\u003e Vibrations.\u003cbr\u003e \u003cbr\u003e Electronic Excitations.\u003cbr\u003e \u003cbr\u003e Relativistic Effects.\u003cbr\u003e \u003cbr\u003e Molecules and Solids in Electromagnetic Fields.\u003cbr\u003e \u003cbr\u003e SPECIAL SYSTEMS.\u003cbr\u003e \u003cbr\u003e Impurities.\u003cbr\u003e \u003cbr\u003e Surfaces and Interfaces.\u003cbr\u003e \u003cbr\u003e Non-Periodic, Extended Systems.\u003cbr\u003e \u003cbr\u003e Phase Diagrams.\u003cbr\u003e \u003cbr\u003e Clusters.\u003cbr\u003e \u003cbr\u003e Macromolecules.\u003cbr\u003e \u003cbr\u003e Interactions.\u003cbr\u003e \u003cbr\u003e Solvation.\u003cbr\u003e \u003cbr\u003e References.\u003cbr\u003e \u003cbr\u003e Index.\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Chemistry [\u003ca title=\"See our other books on Chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Chemistry%20%5BPN%5D%22\"\u003ePN\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Wiley","offers":[{"title":"Brand New","offer_id":52316737339672,"sku":"9780471979760","price":107.99,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/files\/9780471979760.jpg?v=1781823045","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/methods-of-electronic-structure-calculations-from-molecules-to-solids-paperback-softback-9780471979760","provider":"Freshly Printed Books","version":"1.0","type":"link"}