E-book PDF (2,41 Mb)
Pris en charge uniquement par Adobe Acrobat Reader - logiciel gratuit - (découvrez comment ouvrir les documents)

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

2006 - John Wiley et Sons Ltd.

256 p.

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 Born-Oppenheimer: * Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections * Describes the Born-Oppenheimer treatment, including the concepts of adiabatic and diabatic frameworks * Introduces a field-theoretical approach to calculating NACTs, which offers an alternative to time-consuming ab initio procedures * Discusses various approximations for treating a large system of diabatic Schrödinger equations * Presents numerous exercises with solutions to further clarify the material being discussed Beyond Born-Oppenheimer is required reading for physicists, physical chemists, and all researchers involved

in the quantum mechanical study of molecular systems. [Publisher's Text]

400309 characters.