SHAPE RESONANCES IN PHOTOIONIZATION: CORRELATION WITH STO-3G MO RESULTS

Kreile, Jürgen; Schweig, Armin; Thiel, Walter

doi:10.1016/0009-2614(84)87061-X

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SHAPE RESONANCES IN PHOTOIONIZATION: CORRELATION WITH STO-3G MO RESULTS

Kreile, J., Schweig, A., & Thiel, W. (1984). SHAPE RESONANCES IN PHOTOIONIZATION: CORRELATION WITH STO-3G MO RESULTS. Chemical Physics Letters, 108(3), 259-265. doi:10.1016/0009-2614(84)87061-X.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-EFD7-C Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0029-0497-7

Genre: Journal Article

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Creators:
Kreile, Jürgen¹, Author
Schweig, Armin¹, Author
Thiel, Walter², Author

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1Fachbereich Physikalische Chemie der Universität, D-3550 Marburg, West Germany, ou_persistent22
2Theoretische Chemie, Universität Wuppertal, D-5600 Wuppertal 1, Germany, ou_persistent22

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Abstract: Shape resonances in nine linear molecules are investigated by multiple-scattering and molecular-orbital calculations. Each resonance correlates with a bound-state virtual orbital. It is shown that minimal-basis-set molecular-orbital calculations may be used to guess the number of resonances expected and to estimate their energies via regression analysis.

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Language(s): eng - English

Dates: Modified: 1984-04-25Submitted: 1984-03-22Published Online: 2001-11-26Date issued: 1984-07-06

Publication Status: Issued

Pages: 7

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Rev. Type: Peer

Identifiers: DOI: 10.1016/0009-2614(84)87061-X

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Title: Chemical Physics Letters

Other : Chem. Phys. Lett.

Source Genre: Journal

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Publ. Info: Amsterdam : North-Holland

Pages: - Volume / Issue: 108 (3) Sequence Number: - Start / End Page: 259 - 265 Identifier: ISSN: 0009-2614
CoNE: https://pure.mpg.de/cone/journals/resource/954925389241