{"product_id":"9780470725627","title":"Principles and Practices of Molecular Properties Theory, Modeling, and Simulations","description":"\u003ch1\u003ePrinciples and Practices of Molecular Properties\u003c\/h1\u003e\u003ch2\u003eTheory, Modeling, and Simulations\u003c\/h2\u003e\u003ch3\u003ePatrick Norman | Kenneth Ruud | Trond Saue\u003c\/h3\u003e\u003cdiv\u003e\u003cb\u003eTechnology \u0026amp; Engineering \/ Materials Science \/ General\u003c\/b\u003e\u003c\/div\u003e\u003cbr\u003e\u003cdiv\u003e\n\u003cp\u003e\u003cb\u003eA comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eMolecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist's macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses. Comprehensive in scope, it also offers conceptual illustrations of molecular response theory by means of time-dependent simulations of simple systems.\u003c\/p\u003e \u003cp\u003eThis important resource in physical chemistry offers: \u003c\/p\u003e \u003cul\u003e \u003cli\u003eA journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint\u003c\/li\u003e \u003cli\u003eThe construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties\u003c\/li\u003e \u003cli\u003eTime- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei\u003c\/li\u003e \u003cli\u003eAn introduction to approximate state response theory that serves as an everyday tool for computational chemists\u003c\/li\u003e \u003cli\u003eA unified presentation of prominent molecular properties\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003ePrinciples and Practices of Molecular Properties: Theory, Modeling and Simulations is written by noted experts in the field. It is a guide for graduate students, postdoctoral researchers and professionals in academia and industry alike, providing a set of keys to the research literature.\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e\n\u003c\/div\u003e\u003cdiv\u003e   \u003cp\u003e\u003cb\u003ePatrick Norman\u003c\/b\u003e is Professor and Head of Theoretical Chemistry and Biology at KTH Royal Institute of Technology, Stockholm, Sweden. His research interests include response theory for non-resonant and resonant external fields in the UV\/vis and X-ray regions. He is a co-author of the Dalton program. \u003c\/p\u003e\n\u003cp\u003e\u003cb\u003eKenneth Ruud\u003c\/b\u003e is Professor of Theoretical Chemistry at the University of Tromsø – The Arctic University of Norway. His research interests include linear and nonlinear response theory for mixed electric and magnetic fields as well as vibrational and medium effects. He is a co-author of the Dalton program. \u003c\/p\u003e\n\u003cp\u003e\u003cb\u003eTrond Saue\u003c\/b\u003e is a directeur de recherché of the French National Center for Scientific Research (CNRS) working at Université Toulouse III-Paul Sabatier in France. His research focuses on relativistic methods in theoretical chemistry. He is a principal author of the DIRAC program. \u003c\/p\u003e\n\u003c\/div\u003e\u003cbr\u003e\u003ctable\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublication Date: \u003c\/td\u003e\n\u003ctd\u003e26 March 2018\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublisher: \u003c\/td\u003e\n\u003ctd\u003eWiley\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eImprint: \u003c\/td\u003e\n\u003ctd\u003eWiley\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eISBN-13: \u003c\/td\u003e\n\u003ctd\u003e9780470725627\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eFormat: \u003c\/td\u003e\n\u003ctd\u003eHardback\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePage Count: \u003c\/td\u003e\n\u003ctd\u003e480\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eWeight (oz): \u003c\/td\u003e\n\u003ctd\u003e32.8\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003c\/table\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":44384478920844,"sku":"9780470725627","price":191.66,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0710\/9545\/1788\/files\/9780470725627_c76f4a1d-200e-4659-a27f-81d0ff814f20.jpg?v=1780186044","url":"https:\/\/fh90cf-fv.myshopify.com\/products\/9780470725627","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}