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Conical intersections: theory, computation and experiment

The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electro...

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Detalles Bibliográficos
Autores principales: Domcke, Wolfgang, Yarkony, David R, Koppel, Horst
Lenguaje:eng
Publicado: World Scientific 2011
Materias:
Acceso en línea:http://cds.cern.ch/record/1619954
Descripción
Sumario:The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview o