The equations for applying interchange perturbation theory to the calculation of radiative lifetimes are derived and evaluated for CH2O. The individual terms appearing in the expression for the transition amplitude between the ground and 3(nπ*) state are evaluated using either diagrammatic techniques or coupled Hartree-Fock. A comparison is made of the lifetime results obtained from this method with those calculated from the MBPT formalism of Phillips and Davidson. The radiative lifetime of CH2O is predicted to be about 0.02 s.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry