{"product_id":"new-methods-in-computational-quantum-mechanics-volume-93-paperback-softback-9780471143216","title":"New Methods in Computational Quantum Mechanics, Volume 93 (Paperback \/ softback) 9780471143215","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eNew Methods in Computational Quantum Mechanics, Volume 93\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\"\u003eIlya Prigogine (Edited by), I Prigogine (Author), Stuart A. Rice (Edited by)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780471143215, Wiley\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePaperback \/ softback, published 8 July 1996\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e832 pages\u003cbr\u003e24.4 x 16.3 x 2.7 cm, 0.85 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\"\u003eThe use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computational quantum chemistry is not well known outside the community of practitioners. In order to make the larger community of chemical physicists aware of the current state of the subject, this self-contained volume of Advances in Chemical Physics surveys a number of the recent accomplishments in computational quantum chemistry.\u003cbr\u003e \u003cbr\u003e This stand-alone work presents the cutting edge of research in computational quantum mechanics. Supplemented with more than 150 illustrations, it provides evaluations of a broad range of methods, including:\u003cbr\u003e * Quantum Monte Carlo methods in chemistry\u003cbr\u003e * Monte Carlo methods for real-time path integration\u003cbr\u003e * The Redfield equation in condensed-phase quantum dynamics\u003cbr\u003e * Path-integral centroid methods in quantum statistical mechanics and dynamics\u003cbr\u003e * Multiconfigurational perturbation theory-applications in electronic spectroscopy\u003cbr\u003e * Electronic structure calculations for molecules containing transition metals\u003cbr\u003e * And more\u003cbr\u003e \u003cbr\u003e Contributors to New Methods in Computational Quantum Mechanics\u003cbr\u003e \u003cbr\u003e KERSTIN ANDERSSON, Department of Theoretical Chemistry, Chemical Center, Sweden\u003cbr\u003e \u003cbr\u003e DAVID M. CEPERLEY, National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Illinois\u003cbr\u003e \u003cbr\u003e MICHAEL A. COLLINS, Research School of Chemistry, Australian National University, Canberra, Australia\u003cbr\u003e \u003cbr\u003e REINHOLD EGGER, Fakultät für Physik, Universität Freiburg, Freiburg, Germany\u003cbr\u003e \u003cbr\u003e ANTHONY K. FELTS, Department of Chemistry, Columbia University, New York\u003cbr\u003e \u003cbr\u003e RICHARD A. FRIESNER, Department of Chemistry, Columbia University, New York\u003cbr\u003e \u003cbr\u003e MARKUS P. FÜLSCHER, Department of Theoretical Chemistry, Chemical Center, Sweden\u003cbr\u003e \u003cbr\u003e K. M. HO, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa\u003cbr\u003e \u003cbr\u003e C. H. MAK, Department of Chemistry, University of Southern California, Los Angeles, California\u003cbr\u003e \u003cbr\u003e PER-�KE Malmqvist, Department of Theoretical Chemistry, Chemical Center, Sweden\u003cbr\u003e \u003cbr\u003e MANUELA MERCHán, Departamento de Química Física, Universitat de Valéncia, Spain\u003cbr\u003e \u003cbr\u003e LUBOS MITAS, National Center for Supercomputing Applications and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Illinois\u003cbr\u003e \u003cbr\u003e STEFANO OSS, Dipartimento di Fisica, Università di Trento and Istituto Nazionale di Fisica della Materia, Unità di Trento, Italy\u003cbr\u003e \u003cbr\u003e KRISTINE PIERLOOT, Department of Chemistry, University of Leuven, Belgium\u003cbr\u003e \u003cbr\u003e W. THOMAS POLLARD, Department of Chemistry, Columbia University, New York\u003cbr\u003e \u003cbr\u003e BJÖRN O. ROOS, Department of Theoretical Chemistry, Chemical Center, Sweden\u003cbr\u003e \u003cbr\u003e LUIS SERRANO-ANDRÉS, Department of Theoretical Chemistry, Chemical Center, Sweden\u003cbr\u003e \u003cbr\u003e PER E. M. SIEGBAHN, Department of Physics, University of Stockholm, Stockholm, Sweden\u003cbr\u003e \u003cbr\u003e WALTER THIEL, Institut für Organische Chemie, Universität Zürich, Zürich, Switzerland\u003cbr\u003e \u003cbr\u003e GREGORY A. VOTH, Department of Chemistry, University of Pennsylvania, Pennsylvania\u003cbr\u003e \u003cbr\u003e C. Z. Wang, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eQuantum Monte Carlo Methods in Chemistry (D. Ceperley \u0026amp; L. Mitas).\u003cbr\u003e \u003cbr\u003e Monte Carlo Methods for Real-Time Path Integration (C. Mak \u0026amp; R. Egger).\u003cbr\u003e \u003cbr\u003e The Redfield Equation in Condensed-Phase Quantum Dynamics (W. Pollard, et al.).\u003cbr\u003e \u003cbr\u003e Path-Integral Centroid Methods in Quantum Statistical Mechanics and Dynamics (G. Voth).\u003cbr\u003e \u003cbr\u003e Multiconfigurational Perturbation Theory: Applications in Electronic Spectroscopy (B. Roos, et al.).\u003cbr\u003e \u003cbr\u003e Electronic Structure Calculations for Molecules Containing Transition Metals (P. Siegbahn).\u003cbr\u003e \u003cbr\u003e The Interface Between Electronic Structure Theory and Reaction Dynamics by Reaction Path Methods (M. Collins).\u003cbr\u003e \u003cbr\u003e Algebraic Models in Molecular Spectroscopy (S. Oss).\u003cbr\u003e \u003cbr\u003e Tight-Binding Molecular Dynamics Studies of Covalent Systems (C. Wang \u0026amp; K. Ho).\u003cbr\u003e \u003cbr\u003e Perspectives on Semiempirical Molecular Orbital Theory (W. Thiel).\u003cbr\u003e \u003cbr\u003e Indexes.\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-Interscience","offers":[{"title":"Brand New","offer_id":52286230298904,"sku":"9780471143215","price":417.95,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/files\/9780471143215_2955f6c1-8bf0-41ab-af8b-cc8f5cef8f51.jpg?v=1781547259","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/new-methods-in-computational-quantum-mechanics-volume-93-paperback-softback-9780471143216","provider":"Freshly Printed Books","version":"1.0","type":"link"}