Full-dimensional quantum dynamics calculation for D2+CN reaction

Wei Zhu, John Zhang, D. H. Zhang

Research output: Contribution to journalArticle

Abstract

In this communication, accurate quantum dynamics calculation for the benchmark tetraatomic reaction of D2+CN on an ab initio potential energy surface is reported, and the result of the calculation is analyzed and compared to experiments. The present first principle quantum dynamics study provides fundamental insight to chemical reactions at unprecedented levels of accuracy and detail.

Original languageEnglish (US)
Pages (from-to)46-50
Number of pages5
JournalChemical Physics Letters
Volume292
Issue number1-2
StatePublished - Jul 31 1998

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Quantum communication
Potential energy surfaces
quantum communication
Chemical reactions
chemical reactions
potential energy
Experiments

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Full-dimensional quantum dynamics calculation for D2+CN reaction. / Zhu, Wei; Zhang, John; Zhang, D. H.

In: Chemical Physics Letters, Vol. 292, No. 1-2, 31.07.1998, p. 46-50.

Research output: Contribution to journalArticle

Zhu, Wei ; Zhang, John ; Zhang, D. H. / Full-dimensional quantum dynamics calculation for D2+CN reaction. In: Chemical Physics Letters. 1998 ; Vol. 292, No. 1-2. pp. 46-50.
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