The screened INDO (INDO/S) model: Application to photoelectron spectrum of benzonitrile

Karsten Krogh-Jespersen, Mark Ratner

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

A screened INDO model, which we previously developed for analysis of optical spectra and excited-state properties of organic compounds, is applied to the prediction of photoelectron spectra. Results are quite satisfactory for benzene, and an assignment based on Koopmans' theorem allows complete assignment, including previously unassigned peaks, in the benzonitrile molecule.

Original languageEnglish
Pages (from-to)1305-1309
Number of pages5
JournalJournal of Chemical Physics
Volume65
Issue number4
Publication statusPublished - 1976

Fingerprint

Photoelectrons
Benzene
Organic compounds
Excited states
photoelectrons
Molecules
organic compounds
optical spectrum
theorems
benzene
predictions
excitation
molecules
benzonitrile

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The screened INDO (INDO/S) model : Application to photoelectron spectrum of benzonitrile. / Krogh-Jespersen, Karsten; Ratner, Mark.

In: Journal of Chemical Physics, Vol. 65, No. 4, 1976, p. 1305-1309.

Research output: Contribution to journalArticle

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