Quantum wavepacket approach to chemical reaction dynamics. Perspective on "Dynamics of the collinear H+H-2 reaction. I. Probability density and flux"- McCullough EA Jr, Wyatt RE (1971) J Chem Phys 54 : 3578
Jzh. Zhang et Dh. Zhang, Quantum wavepacket approach to chemical reaction dynamics. Perspective on "Dynamics of the collinear H+H-2 reaction. I. Probability density and flux"- McCullough EA Jr, Wyatt RE (1971) J Chem Phys 54 : 3578, THEOR CH AC, 103(3-4), 2000, pp. 300-305
This paper presents an overview of the time-dependent quantum wavepacket ap
proach to chemical reaction dynamics. After a brief review of some early wo
rks, the payer gives an up-to-date account of the recent development of com
putational methodologies in time-dependent quantum dynamics. The presentati
on of the paper focuses on the development of accurate or numerically exact
time-dependent methods and their specific applications to tetraatomic reac
tions. After summarizing the current state-of-the-art time-dependent wavepa
cket approach, a perspective on future development is provided.