Abstract
The photoemission cross section for the $1{\ensuremath{\pi}}_{\mathrm{u}}$ level in acetylene is calculated including electronic correlations using a time-dependent local-density approximation. Structure in the cross section from 12 to 17 eV is identified as arising from a Fano autoionization resonance ($2{\ensuremath{\sigma}}_{\mathrm{u}}\ensuremath{\rightarrow}1{\ensuremath{\pi}}_{\mathrm{g}}$) and a redistribution of oscillator strength from a bound-to-bound transition ($1{\ensuremath{\pi}}_{\mathrm{u}}\ensuremath{\rightarrow}1{\ensuremath{\pi}}_{\mathrm{g}}$) to the continuum. A minimum in the observed photoemission asymmetry parameter and the optical frequency polarizability are also accounted for with electronic correlations.
Keywords
PhysicsPolarizabilityAtomic physicsElectronic structureCrystallographyCondensed matter physicsQuantum mechanicsChemistryMolecule
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Publication Info
- Year
- 1983
- Type
- article
- Volume
- 50
- Issue
- 26
- Pages
- 2074-2077
- Citations
- 87
- Access
- Closed
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Cite This
Zachary H. Levine,
Paul Soven
(1983).
Electron Correlation Effects in Photoemission from the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msub><mml:mrow><mml:mi>π</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">u</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>Level in Acetylene.
Physical Review Letters
, 50
(26)
, 2074-2077.
https://doi.org/10.1103/physrevlett.50.2074
Identifiers
- DOI
- 10.1103/physrevlett.50.2074