Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections

Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections | Michael Baer | Science & Technology | Chemistry | eBooks

Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections

by Michael Baer

Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections ~~ Adobe eBook

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Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections Summary:

This book concentrates on the mathematical and physical features of non-adiabatic coupling terms (NACTs) and their conical intersections in quantum chemical calculations. The author distinguishes between two aspects of this subject: (1) The practical one, which implies deriving the relevant equation of motion required for reliable calculations of spectroscopic or dynamical cross sections; and (2) The theoretical one, which concentrates on the study of the NACTs and the relation between molecular physics and other fields in physics, in particular, electrodynamics.