Calculating Feshbach resonances in HCO using an extension of Q im-path theory.

We present a theoretical study of Feshbach resonances in HCO, using an extension of a previous projection theory [Y. Wang and J. M. Bowman, J. Chem. Phys. 139, 154303 (2013)] that makes use of projections of the normal modes of HCO onto a one-dimensional rectilinear path along the imaginary-frequency normal mode of the dissociation saddle point. HCO dissociation is strongly mode specific, because the CH-stretch is nearly coincident with this path. The projection theory predicts that HCO dissociates with a subpicosecond lifetime for the CH-stretch excited to the second overtone ( [ABSTRACT FROM AUTHOR]