Quantum wavepacket approach to chemical reaction dynamics. Perspective on “Dynamics of the collinear H + H2 reaction. I. Probability density and flux”

Abstract

This paper presents an overview of the time-dependent quantum wavepacket approach to chemical reaction dynamics. After a brief review of some early works, the paper gives an up-to-date account of the recent development of computational methodologies in time-dependent quantum dynamics. The presentation of the paper focuses on the development of accurate or numerically exact time-dependent methods and their specific applications to tetraatomic reactions. After summarizing the current state-of-the-art time-dependent wavepacket approach, a perspective on future development is provided.