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

Tomokazu Yasuike, Satoshi Yabushita

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)257-265
Number of pages9
JournalChemical Physics Letters
Volume316
Issue number3-4
DOIs
Publication statusPublished - 2000 Jan 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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