ABSTRACT
The potential energy surface describing the interaction of methylene (CH) in its ground
electronic state with molecular hydrogen has been calculated through explicitly correlated coupled cluster theory with inclusion of single, double, and (perturbatively) triple excitations [RCCSD(T)-F12a] and a correlation-consistent aug-cc-pVTZ basis. The calculated points for various geometries of the CH
–H
complex were fit to a functional form suitable for use in time-independent quantum scattering calculations of cross sections for collision-induced transitions between CH
rotational levels. The well depth
of the CH
–H
complex was found to equal 92.1 cm
in a planar geometry and intermolecular separation
. A representative set of cross sections is presented and compared with cross sections for the corresponding transitions in methylene induced by collisions with helium.
GRAPHICAL ABSTRACT
![](/cms/asset/8966712d-9c23-4397-993e-e2b0cd458863/tmph_a_1953173_uf0001_oc.jpg)
Disclosure statement
No potential conflict of interest was reported by the author(s).