No abstract

An exact variational method to calculate vibrational energies of five atom molecules beyond the normal mode approach

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