The effect of rotation on resonances: Application to HCO

Journal Article · Sun Dec 01 04:00:00 EST 1996 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.472853· OSTI ID:397445

Qi, J; Bowman, J M ^[1]

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1. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

We calculate the effect of rotation on resonance energies and widths of HCO using the adiabatic rotation method [J. M. Bowman, Chem. Phys. Lett. {bold 217}, 36 (1994)]. We test this approximate method against previous exact calculations for the even-parity resonances for total angular momentum {ital J}=1, and then apply the method for a range of {ital J}. We focus on the shifts in position and width of numerous resonances relative to nonrotating HCO for {ital J}=1, 6, and 20 and the body-fixed projection quantum number {ital K}=0 and 1. The variation of both resonance energies and widths is much greater for {ital K}=1 than {ital K}=0, and the implications for simple energy-shifting models are assessed. Some results are also presented for {ital J}=6, {ital K}=4 and 6 which illustrate the transformation of high-lying bound states for {ital J}=0 to resonances for {ital J} greater than zero. The implication of this transformation to theories of recombination is discussed. {copyright} {ital 1996 American Institute of Physics.}

• DOE Contract Number: FG05-86ER13568
• OSTI ID: 397445
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 22 Vol. 105; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

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