Valence photoionization and autoionizing states of acetylene studied by the complex basis function method in the random phase approximation

Tomokazu Yasuike, Satoshi Yabushita

研究成果: Article査読

16 被引用数 (Scopus)

抄録

The photoionization cross-section of acetylene has a prominent double-hump structure, the peak positions of which are 13.3 and 15.3 eV. The assignment for the lower peak has long been controversial. In this Letter, we settle the problem by calculating the valence photoionization cross-section with the complex basis function method including the channel coupling in the random-phase approximation. At the neutral ground-state geometry, we assigned the lower peak to the 3σg→3pσu Rydberg-type autoionizing state, which is perturbed by the 3σg→3σu intravalence excited state. We also studied the geometry dependence of the autoionizing state.

本文言語English
ページ(範囲)257-265
ページ数9
ジャーナルChemical Physics Letters
316
3-4
DOI
出版ステータスPublished - 2000 1月 14
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学一般
  • 物理化学および理論化学

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