Potential energy surfaces for the C2(X1Σg+,a3Πu)+H(2S) system. Application: Rotational dynamics of C2(X1Σg+) on the ground adiabatic and diabatic 2A′ surfaces

Calculated CASSCF adiabatic potential energy curves for the lowest lying states of C2-H as function of R at linear geometry with C2 distance fixed at re=2.348 bohr.40