Erratum: “Theoretical transition probabilities for the OH Meinel system” [J. Chem. Phys. 126, 114314 (2007)

Abstract

about 2.5% or 1.4 ms. Furthermore, we found a phase difference in the basis sets used to implement the rotational Hamiltonian of Eq. 2 and the lambda-doubling Hamiltonian of Eqs. 8–10. Finally, we found an inconsistency in the implementation of the spin-orbit Hamiltonian. The equations in the paper are consistent. In the new calculations we also replace the re = 1.8342a0 value by a more recent value 3 of re = 1.8324a0. The new calculations affect the numbers in Tables IV and V, which are reproduced here in Tables I and II. Our electric dipole moment function yields slightly higher values for the expectation values of the dipole moment than experimentally observed. Therefore, in Table II, we also include a lifetime based on our dipole moment function scaled with a factor of 0.9966. This is the average ratio between the experimentally observed v =0,1,2 dipole moment and our ab initio values. Finally, we make available a new EPAPS document 4 based on the corrected calculations. The line strengths are computed using the partition function QT = 296 = 80.362 from the HITRAN database. The changes reported here do not significantly alter our conclusions.