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 language | English |
|---|---|
| Pages (from-to) | 353-356 |
| Number of pages | 4 |
| Journal | Chemical Physics Letters |
| Volume | 54 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1978 |
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van Dijk, J. M. F., Kemper, M. J. H., Kerp, J. H. M., Buck, H. M., & Visser, G. J. (1978). Ab-initio CI calculation of radiative and non-radiative decay of formaldehyde (1A2) with application to its photochemical decomposition. Chemical Physics Letters, 54(2), 353-356. https://doi.org/10.1016/0009-2614(78)80116-X