Close-coupling study of rotational energy transfer of CO „ =2... by collisions with He atoms

Quantum close-coupling scattering calculations of rotational energy transfer in the vibrationally excited CO due to collisions with He atom are presented for collision energies between 10−5 and 1000 cm−1 with CO being initially in the vibrational level =2 and rotational levels j=0,1 ,4, and 6. The He–CO interaction potential of Heijmen et al. J. Chem. Phys. 107, 9921 1997 was adopted for the calculations. Cross sections for rovibrational transitions and state-to-state rotational energy transfer from selected initial rotational levels were computed and compared with recent measurements of Carty et al. J. Chem. Phys. 121, 4671 2004 and available theoretical results. Comparison in all cases is found to be excellent, providing a stringent test for the scattering calculations as well as the reliability of the He–CO interaction potential by Heijmen et al. © 2005 American Institute of Physics. DOI: 10.1063/1.2055267