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.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry