Vibrational spectra and geometry relaxation in core-electronic processes of N2O and CO2

Masahiro Ehara, Kiyoshi Ueda

Research output: Contribution to journalConference articlepeer-review

1 Citation (Scopus)

Abstract

Vibratinal spectra and geometry relaxation in the core-electron processes of N2O and CO2 have been studied by the high-resolution photoelectron spectroscopy and accurate ab initio calculations. We calculated reliable two dimensional potential energy surfaces of the core-hole states of N2O and CO2 and performed the vibrational analysis based on these surfaces. We also investigated the geometry changes in the π* and σ* core-excited states. Theory reproduced the details of the high-resolution spectra providing quantitative assignments and interpretations.

Original languageEnglish
Article number012020
JournalJournal of Physics: Conference Series
Volume235
Issue number1
DOIs
Publication statusPublished - 2010
EventInternational Workshop on Electronic Spectroscopy for Gas-phase Molecules and Solid Surfaces, IWES2009 - Matsushima, Japan
Duration: 2009 Oct 122009 Oct 15

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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