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

Citation
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
Citations number
90
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEORETICAL CHEMISTRY ACCOUNTS
ISSN journal
1432881X → ACNP
Volume
103
Issue
3-4
Year of publication
2000
Pages
300 - 305
Database
ISI
SICI code
1432-881X(200002)103:3-4<300:QWATCR>2.0.ZU;2-U
Abstract
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.