The molecular dissociation of formaldehyde at medium photoexcitation energies: A quantum chemistry and direct quantum dynamics study

Marta Araujo, Benjamin Lasorne, Alexandre L. Magalhaes, Graham A. Worth, Michael J. Bearpark et al. The mechanisms of radiationless decay involved in the photodissociation of formaldehyde into H and CO have been investigated using complete active space self-consistent field (CASSCF) calculations and direct dynamics variational multiconfiguration Gaussian (DD-vMCG) quantum dynamics in the S, T, and ... [J. Chem. Phys. 131, 144301 (2009)] published Thu Oct 8, 2009.