DV-Xα calculation on XPS for SF6 valence levels

Hirohide Nakamatsu, Takeshi Mukoyama, Hirohiko Adachi

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We have performed molecular orbital calculations for SF6, using the discrete-variational Xα method. The obtained theoretical XPS spectra for valence levels agree well in intensity with the experimental one except for two levels which have strong covalent interactions. Two types of conventional approximations for the XPS intensity are compared and give similar spectra. The present results confirm the assignment of all the valence levels proposed by Dehmer et al. and Gelius.

Original languageEnglish
Pages (from-to)265-270
Number of pages6
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume53
Issue number4
DOIs
Publication statusPublished - Jan 1991

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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