A non-empirical LCAO MO SCF investigation of electronic relaxations accompanying core ionizations in the series X2 and HX (X = F, Cl and Br) |
| |
Authors: | David T Clark Jiri Muller |
| |
Institution: | Department of Chemistry, University of Durham, Durham City, UK |
| |
Abstract: | A theoretical analysis has been made of differences in relaxation energies for photoionization from the core levels of the series X2, HX for X = F, Cl, Br. It is demonstrated that whilst the charge in relaxation energies is largest for F2 with respect to HF, the contribution to the shifts in core levels is relatively larger for the series X2 and HX for X = Cl, Br. It is further shown that shifts in binding and relaxation energies show very little dependence on the core levels studied. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|