THEORETICAL STUDIES OF CHEMICAL DYNAMICS: Overview of Some Fundamental Mechanisms

Abstract

▪ Abstract  Recent remarkable progress in theoretical studies of (a) quantum dynamics of chemical reactions, (b) characteristics and dynamics of superexcited states of molecules, (c) nonadiabatic transitions at potential curve crossings, and (d) multidimensional tunneling is reviewed briefly. Underlying common basic concepts and fundamental mechanisms such as adiabaticity and nonadiabatic transition are extracted and discussed in order to facilitate a comprehensive understanding of chemical dynamics. Not only the basic theoretical methodologies but also the intriguing dynamical aspects of each subject are explained as simply as possible.