We have investigated inner-shell excitation of the LiH + molecular ion by electron impact within several different collision models to delineate Rydberg autoionizing resonance structure associated with the LiH + (1σ2σ 2 2 Σ + ) core-excited threshold. The minimal representation requires only the retention of the 1σ and 2σ molecular orbitals, in which the core-excited state involves the promotion of a single electron into the 2σ orbital. This model is extended to include two further representations, in which both the 3σ and 4σ orbitals obtained from a self-consistent field calculation improve target representation, correlation and support additional autoionization channels. This affects the autoionization widths and to a lesser degree the positions of the LiH (1σ2σ 2 n s, n p 1,3 Σ + ) resonance series. Comparing our work with calculations on the counterpart atomic Be system assists in the assignment of the core-excited molecular resonance states. The results from our investigation provide helpful insights into the study of inner-shell transitions produced by electron or photon impact in more complex diatomic molecules.
|Number of pages||13|
|Journal||Journal of Physics B: Atomic, Molecular and Optical Physics|
|Publication status||Published - 2001|
Ballance, C. P., Berrington, K. A., & McLaughlin, B. M. (2001). Rydberg structure associated with core-excited autoionizing states of the LiH radical. Journal of Physics B: Atomic, Molecular and Optical Physics, 34(19), 3775-3787. https://doi.org/10.1088/0953-4075/34/19/304