Abstract
We calculate the photoionization cross section of a ${\mathrm{BaO}}_{2}$ molecule in the region of the Ba 4d-f giant dipole resonance, i.e., 90--150 eV, taking into account both many-electron screening and molecular, multiple scattering effects. The potential of the oxygen ligand atoms is expanded in spherical harmonics around the central Ba atom and screening is treated within the time-dependent local-density approximation. The cross section shows prominent modulations and structure due to final-state molecular resonance effects, in good qualitative agreement with experimental results on solids.
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More From: Physical review. A, Atomic, molecular, and optical physics
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