Theoretical transition probabilities for the OH Meinel system.
The authors present a new potential energy curve, electric dipole moment function, and spin-orbit coupling function for OH in the X 2Pi state, based on high-level ab initio calculations. These properties, combined with a spectroscopically parametrized lambda-type doubling Hamiltonian, are used to compute the Einstein A coefficients and photoabsorption cross sections for the OH Meinel transitions. The authors investigate the effect of spin-orbit coupling on the lifetimes of rovibrationally excited states. Comparing their results with earlier ab initio calculations, they conclude that their dipole moment and potential energy curve give the best agreement with experimental data to date. The results are made available via EPAPS Document No. E-JCPSAG-017709.
van der Loo
Mark P J
MP
Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Toernooiveld 1, 6525ED Nijmegen, The Netherlands.
Groenenboom
Gerrit C
GC