Calculation of resonances of HCO by the artificial boundary inhomogeneity method

Gregory S. Whittier, John C. Light
1997 Journal of Chemical Physics  
Resonance states of HCO are calculated for total angular momentum Jϭ0, 1, and 3 using the artificial boundary inhomogeneity ͑ABI͒ method of Jang and Light ͓J. Chem. Phys. 102, 3262 ͑1995͔͒. Resonance energies and widths are determined by analyzing the Smith lifetime matrix. A resonance search algorithm and a method for resolving overlapping resonances are described. The accurate prediction of Jϭ3 resonances from Jϭ0 and 1 data is tested with good results for excited stretch resonances and less
more » ... esonances and less accurate results for bending resonances, demonstrating the degree of separability of vibration from overall rotation for these quasi-bound states.
doi:10.1063/1.474533 fatcat:xzme7tkl6rag3nvolgo6aeuwv4