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Chemical reaction as a quantum transition

  • V. Z. Kresin
  • , W. A. Lester
  • , M. Dupuis
  • , C. E. Dateo
  • University of California at Berkeley

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

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
StatePublished - 1984

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