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

Masahiro Ehara, Kiyoshi Ueda

研究成果: Conference article査読

1 被引用数 (Scopus)

抄録

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.

本文言語English
論文番号012020
ジャーナルJournal of Physics: Conference Series
235
1
DOI
出版ステータスPublished - 2010
イベントInternational Workshop on Electronic Spectroscopy for Gas-phase Molecules and Solid Surfaces, IWES2009 - Matsushima, Japan
継続期間: 2009 10 122009 10 15

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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「Vibrational spectra and geometry relaxation in core-electronic processes of N<sub>2</sub>O and CO<sub>2</sub>」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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