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

John Zhang, D. H. Zhang

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Pages (from-to)300-305
Number of pages6
JournalTheoretical Chemistry Accounts
Volume103
Issue number3-4
StatePublished - Feb 2000

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Chemical reactions
chemical reactions
Fluxes
methodology

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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