Journal of Physical Chemistry A, Vol.114, No.7, 2655-2664, 2010
Ab initio Based DMBE Potential Energy Surface for the Ground Electronic State of the C2H Molecule
We report a single-sheeted potential energy surface for the lowest state of CH using double many-body expansion theory and accurate A initio data points calculated at MRCI/AVQZ level of theory. The topographical features of the new global potential energy Surface are analyzed in detail.