Anab initio investigation of the inner shell excited states of the molecule Cl2 |
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| Authors: | Anatoly V Kondratenko Lev N Mazalov Konstantin M Neyman |
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| Institution: | (1) Institute of Inorganic Chemistry, Siberian Division of the Academy of Sciences of the USSR, Novosibirsk, 90, USSR |
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| Abstract: | Restricted Hartree-Fock calculations of the Cl2 molecule have been carried out to investigate the X-ray excited states below Cl 2p-electron ionization potential. Some inner shell excited states are shown to have a valence or a valence-Rydberg nature that results in a considerable intensity of the appropriate transitions in the X-ray absorption spectrum. A significant interaction among some electron configurations with a 2p vacancy is predicted. |
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| Keywords: | X-ray states of Cl2 Absorption spectrum of Cl2 Cl2 |
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