{"product_id":"computational-molecular-spectroscopy-isbn-9780471489986","title":"Computational Molecular Spectroscopy","description":"This book describes the use of modern computational methods in predicting high resolution molecular spectra, which allows the experimental spectroscopist to interpret and assign real spectra.\u003cbr\u003e * Offers a comprehensive treatment of modern computation techniques.\u003cbr\u003e \u003cbr\u003e * Provides a collection of material from different areas of theoretical chemistry and physics.\u003cbr\u003e \u003cbr\u003e * Bridges the gap between traditional quantum chemistry and experimental molecular spectroscopy.Aus diesem Band erfahren Sie, wie man moderne computergestützte Rechenmethoden zur Vorhersage hochaufgelöster Molekülspektren anwendet und dadurch dem Spektroskopiker bei der Interpretation und Zuordnung experimenteller Spektren hilft. Durch die ausgewogene Mischung von Beiträgen aus der theoretischen Chemie und Physik bietet sich ein aussagefähiger Überblick über das Gesamtgebiet. (10\/00)  Partial table of contents:\u003cbr\u003e \u003cbr\u003e The Born-Oppenheimer Approximation (P. Bunker \u0026amp; P. Jensen).\u003cbr\u003e \u003cbr\u003e ELECTRONIC STATES.\u003cbr\u003e \u003cbr\u003e Ab Initio Determination of Accurate Ground Electronic State Potential Energy Hypersurfaces for Small Molecules (A. Császár, et al.).\u003cbr\u003e \u003cbr\u003e Symmetry Adapted Perturbation Theory Applied to the Computation of Intermolecular Forces (R. Moszynski, et al.).\u003cbr\u003e \u003cbr\u003e The Ab Initio Calculation of Molecular Properties Other than the Potential Energy Surface (S. Sauer \u0026amp; M. Packer).\u003cbr\u003e \u003cbr\u003e ROTATION-VIBRATION STATES.\u003cbr\u003e \u003cbr\u003e Perturbation Theory, Effective Hamiltonians and Force Constants (K. Sarka \u0026amp; J. Demaison).\u003cbr\u003e \u003cbr\u003e Variational Calculations of Rotation-Vibration Spectra (J. Tennyson).\u003cbr\u003e \u003cbr\u003e ROVIBRONIC STATES AND THE BREAKDOWN OF THE BORN-OPPENHEIMER APPROXIMATION.\u003cbr\u003e \u003cbr\u003e The Renner Effect (P. Jensen, et al.).\u003cbr\u003e \u003cbr\u003e The Renner-Teller Effect: The Effective Hamiltonian Approach (J. Brown).\u003cbr\u003e \u003cbr\u003e DYNAMICS.\u003cbr\u003e \u003cbr\u003e Forming Superposition States (T. Seideman).\u003cbr\u003e \u003cbr\u003e Ab Initio Molecular Dynamics (J. Tse \u0026amp; R. Rousseau).\u003cbr\u003e \u003cbr\u003e Index.  \"Twenty studies bridge the gaps between traditional quantum chemistry...theoretical high-resolution spectroscopy..and molecular dynamics...\" (\u003ci\u003eSciTech Book News\u003c\/i\u003e, Vol. 25, No. 2, June 2001)  \u003cp\u003e\"...a valuable source of information...\" (\u003ci\u003eAngewandte Chemie International Edition\u003c\/i\u003e, Vol. 42, No. 1, January 3, 2003)\u003c\/p\u003e  \u003cp\u003ePer Jensen and Philip R. Bunker are the authors of Computational Molecular Spectroscopy, published by Wiley.   Theoretical molecular spectroscopy has been the subject of intense activity in the last decade as a result of the increasing availability of powerful computers. Computational Molecular Spectroscopy is the first book ever to provide a comprehensive treatment of modern compuational techniques for predicting\/interpreting molecular spectra.\u003cbr\u003e Comprised essentially of four main parts, the book is a must for research workers in high resolution molecular spectroscopy and in quantum chemistry. It is also highly useful to undergraduate and postgraduate students of physics and chemistry, who are just starting out in the field.\u003cbr\u003e The four main areas covered include:\u003cbr\u003e * Ab initio calculation of potential energy surfaces and other electronic properties of molecules\u003cbr\u003e * Perturbation-theory-based and variational approaches to the calculation of spectroscopic data\u003cbr\u003e * Theory of calculating rovibronic energies, including the Renner and Jahn-Teller effects\u003cbr\u003e * Special topics of high current interest: highly excited states and local modes, semi-classical approaches, time-dependent phenomena, and the Carr-Parrinello approach.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47988967080165,"sku":"NP9780471489986","price":532.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9780471489986.jpg?v=1761782245","url":"https:\/\/k12savings.com\/es\/products\/computational-molecular-spectroscopy-isbn-9780471489986","provider":"K12savings","version":"1.0","type":"link"}