Electron momentum spectroscopy of the HOMO of acetone

Tae Kyung Cho, Masahiko Takahashi, Yasuo Udagawa

研究成果: Article査読

1 被引用数 (Scopus)

抄録

Electron momentum profiles of the highest occupied molecular orbital (HOMO) of acetone have been measured under experimental conditions where a use of the plane-wave impulse approximation is justified. A double peak is observed in the experimental profile and it was found that calculated profiles by the use of the standard basis set always underestimate the magnitude of the low-momentum peak. Possible origins of the discrepancies between the calculated and measured profiles are examined, leading to an improved agreement by modifying the exponents of diffuse functions employed.

本文言語English
ページ(範囲)281-285
ページ数5
ジャーナルJournal of Photochemistry and Photobiology A: Chemistry
178
2-3 SPEC. ISS.
DOI
出版ステータスPublished - 2006 3 20

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Physics and Astronomy(all)

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