E-Book Overview
It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical-physics literature. Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical-reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections for researchers in the fields of molecular electronic-structure theory, molecular spectroscopy, photochemistry and chemical-reaction dynamics.
E-Book Content
Advanced Serles In Physlcal Chernlstry 15 CONICAL INTERSECTIONS Electronic Structure, Dynamics & Spectroscopy This page intentionally left blank Advanced Series in Physical Chemistry 15 CONICAL INTERSECTIONS EIect ronic St ruct ure, Dynamics & Spectroscopy Editors Wolfgang Domcke Technicul University of Munich/ Germuny David R Yarkony Johns Hopkins UniversiM USA Horst Koppel University of Heidelber~~ Germuny \bWorld Scientific N E W JERSEY LONDON SINGAPORE BElJlNG SHANGHAI HONG KONG TAIPEI CHENNAI Published by World Scientific Publishing Co. Pte. Ltd. 5 Toh Tuck Link, Singapore 596224 USA office: 27 Warren Street, Suite 401-402, Hackensack, NJ 07601 UK office: 57 Shelton Street, Covent Garden, London WC2H 9HE British Library Cataloguing-in-Publication Data A