{"product_id":"molecular-electronic-structure-theory-hardback-9780471967552","title":"Molecular Electronic-Structure Theory (Hardback) 9780471967552","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eMolecular Electronic-Structure Theory\u003c\/font\u003e\u003cbr\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003c\/p\u003e\n\u003cp\u003e\u003cfont size=\"4\"\u003eTrygve Helgaker (Author), Poul Jorgensen (Author), Jeppe Olsen (Author)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780471967552, Wiley\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eHardback, published 11 August 2000\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e938 pages\u003cbr\u003e25 x 19.8 x 5.4 cm, 1.871 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\"...the most complete and satisfying presentation of the actual armament involved in the computational approach to electronic structure that I have seen, and should be available to all students and researchers who wish to understand the basis of...molecular electronic structure methods.\" (Physics Today, December 2001)\u003c\/font\u003e\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003eSpätestens seit der Entwicklung leistungsfähiger Computerprogramme interessieren sich auch Nichtspezialisten für die theoretischen Grundlagen quantenchemischer Berechnungen. Dieses Buch bietet einen umfassenden, modernen Überblick über die zweite Quantisierung, Wellenfunktionen, Basissätze und Integrale; alle gängigen Verfahren werden berücksichtigt (Hartree-Fock-Theorie, CI, MCSCF, Coupled Clusters, Störungstheorie). Ausführlich diskutiert wird auch die Kalibration der Methoden. (03\/00)\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSecond Quantization.\u003cbr\u003e \u003cbr\u003e Spin in Second Quantization.\u003cbr\u003e \u003cbr\u003e Orbital Rotations.\u003cbr\u003e \u003cbr\u003e Exact and Approximate Wave Functions.\u003cbr\u003e \u003cbr\u003e The Standard Models.\u003cbr\u003e \u003cbr\u003e Atomic Basis Functions.\u003cbr\u003e \u003cbr\u003e Short-Range Interactions and Orbital Expansions.\u003cbr\u003e \u003cbr\u003e Gaussian Basis Sets.\u003cbr\u003e \u003cbr\u003e Molecular Integral Evaluation.\u003cbr\u003e \u003cbr\u003e Hartree-Fock Theory.\u003cbr\u003e \u003cbr\u003e Configuration-Interaction Theory.\u003cbr\u003e \u003cbr\u003e Multiconfigurational Self-Consistent Field Theory.\u003cbr\u003e \u003cbr\u003e Coupled-Cluster Theory.\u003cbr\u003e \u003cbr\u003e Perturbation Theory.\u003cbr\u003e \u003cbr\u003e Calibration of the Electronic-Structure Models.\u003cbr\u003e \u003cbr\u003e List of Acronyms.\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":52316707520792,"sku":"9780471967552","price":490.89,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/files\/9780471967552.jpg?v=1781822311","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/molecular-electronic-structure-theory-hardback-9780471967552","provider":"Freshly Printed Books","version":"1.0","type":"link"}