Ab initio calculation of image cross-luminescence spectrum

We present the theoretical calculations of the core hole electronic and spatial structure and cross-luminescence spectrum in image cluster. The ab initio Hartree–Fock calculation of cross-luminescence has been performed in embedded-cluster approach. The theoretical spectrum reproduces well the characteristics of the experimental one. The valence states corresponding to the 5.6, 6.3 and 7.1 eV emissions is found to be localized. The low-energy tail is shown to be due to transitions between 5p core states of image ion and 2p valence states of next-nearest image ions.