Double core-hole correlation satellite spectra of N 2 and CO molecules

Motomichi Tashiro, Kiyoshi Ueda, Masahiro Ehara

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)


We have theoretically investigated the correlation satellite spectra associated with the single-site (ss) and two-site (ts) double core-hole (DCH) states. The calculated ssDCH satellite spectra of N 2 (N 1s -2) and CO (O 1s -2) reproduced the observed experimental spectra satisfactorily and provided the first detailed assignments. DCH spectroscopy using X-ray two-photon photoelectron spectroscopy (XTPPS) was examined taking account of the single core-hole (SCH) and DCH satellite spectra. The results demonstrate that in XTPPS the ssDCH satellite spectrum is separated from other SCH/tsDCH spectra, while the tsDCH states and their satellite states may be overlapped with the SCH satellite spectrum.

Original languageEnglish
Pages (from-to)45-51
Number of pages7
JournalChemical Physics Letters
Publication statusPublished - 2012 Jan 10

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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