Chemical reaction as a quantum transition

V. Z. Kresin, W. A. Lester, M. Dupuis, C. E. Dateo

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In this theory a chemical reaction is treated as a quantum transition from reactants to products. The approach leads to a Franck–Condon‐like factor for the evaluation of product energy distributions. Second‐quantization representation is used to enable a Hamiltonian for reaction to be defined. A specific adiabatic method is used to describe the dynamics of nuclear motion. The theory is applied to the reactions HO + D → OD + H and ClI + D → Cl + ID. Polyatomic photodissociation can also be treated by a similar formalism.

Original languageEnglish
Pages (from-to)691-700
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume26
Issue number18 S
DOIs
Publication statusPublished - 1984

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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