Excitonic fine structure of the arsenic K-edge in AsFn (n = 3,5,6) cage molecules

✍ Scribed by H. Morawitz; P. Bagus

• Publisher: Elsevier Science
• Year: 1984
• Tongue: English
• Weight: 525 KB
• Volume: 107
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(84)85356-7

✦ Synopsis

We present self-consistent lield Hartree-Fock calculations of the ehcitonic fine structure of the arsenic K-e&e for several arsenic fluorine cage molecules AsF,,W = 3,s. 6). Ground-stare energies and K-shell ionization enrr_eies arc computed. The binding energies relative IO the K-shell ionization ener= of several escitonic slnIes. made up of a 1s core hole and an electron in a valence or Rydberp final state, are found. The relative oscilIa10. strengths for S-ray absorption to these states me determined and eood agcement with esperimenlal X-rag absorption data on AsFs in the gas phase is found.