Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition

J.M.F. van Dijk, M.J.H. Kemper, J.H.M. Kerp, H.M. Buck, G.J. Visser

Research output: Contribution to journalArticleAcademicpeer-review

17 Citations (Scopus)

Abstract

A method is described for an ab-initio Cl calculation of the decay of H2CO(1A2). The normal modes 4, 5 and 6 turn out to be about equally important for inducing the radiative transition, while the non-radiative decay is an example of the resonance case. So the experimentally determined exponential decay must be due to a coupling with the dissociative continuum.
Original languageEnglish
Pages (from-to)353-356
Number of pages4
JournalChemical Physics Letters
Volume54
Issue number2
DOIs
Publication statusPublished - 1978

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