Iterative quantum computations of HO2 bound states and resonances for J = 4 and 5

Abstract

Bound and resonance states of HO₂ have been calculated by both the complex Lanczos homogeneous filter diagonalisation (LHFD) method and the real Chebyshev filter diagonalisation method for non-zero total angular momentum J = 4 and 5. For bound states, the agreement between the two methods is quite satisfactory; for resonances while the energies are in good agreement, the widths are only in general agreement. The relative performances of the two iterative FD methods have also been discussed in terms of efficiency as well as convergence behaviour for such a computationally challenging problem. A helicity quantum number Ω assignment (within the helicity conserving approximation) is performed and the results indicate that Coriolis coupling becomes more important as J increases and the helicity conserving approximation is not a good one for the HO₂ resonance states.