Electron momentum spectroscopy of the HOMO of acetone

Tae Kyung Cho, Masahiko Takahashi, Yasuo Udagawa

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)281-285
Number of pages5
JournalJournal of Photochemistry and Photobiology A: Chemistry
Volume178
Issue number2-3 SPEC. ISS.
DOIs
Publication statusPublished - 2006 Mar 20

Keywords

  • Acetone
  • Electron momentum spectroscopy
  • Momentum profile

ASJC Scopus subject areas

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

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