{"product_id":"new-methods-in-computational-quantum-mechanics-volume-93-9780471143215","title":"New Methods in Computational Quantum Mechanics Volume 93","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\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\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\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.","brand":"Wiley","offers":[{"title":"Default Title","offer_id":53515421483351,"sku":"9780471143215","price":379.76,"currency_code":"GBP","in_stock":true}],"url":"https:\/\/bookcurl.com\/products\/new-methods-in-computational-quantum-mechanics-volume-93-9780471143215","provider":"Book Curl","version":"1.0","type":"link"}