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Beyond BornOppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections,Used
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INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS.The BornOppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite wellestablished fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond BornOppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approachdiabatizationfor eliminating troublesome NACTs and deriving wellconverged equations to treat the interactions within and between molecules.Concentrating on both the practical and theoretical aspects of electronic nonadiabatic transitions in molecules, Professor Baer uses a simple mathematical language to rigorously eliminate the singular NACTs and enable reliable calculations of spectroscopic and dynamical cross sections. He presents models of varying complexity to illustrate the validity of the theory and explores the significance of the study of NACTs and the relationship between molecular physics and other fields in physics, particularly electrodynamics.The first book of its king Beyond BornOppenheimer:* Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections* Describes the BornOppenheimer treatment, including the concepts of adiabatic and diabatic frameworks* Introduces a fieldtheoretical approach to calculating NACTs, which offers an alternative to timeconsuming ab initio procedures* Discusses various approximations for treating a large system of diabatic Schrdinger equations* Presents numerous exercises with solutions to further clarify the material being discussedBeyond BornOppenheimer is required reading for physicists, physical chemists, and all researchers involved in the quantum mechanical study of molecular systems.
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