Electron propagator calculations on C-60 and C-70 photoelectron spectra
| Metadata Field | Value | Language |
|---|---|---|
| dc.contributor | J.V. Ortiz, jvo0001@auburn.edu | en_US |
| dc.creator | Zakrzewski, V. G. | |
| dc.creator | Dolgounitcheva, O. | |
| dc.creator | Ortiz, J.V. | |
| dc.date.accessioned | 2021-01-26T18:16:54Z | |
| dc.date.available | 2021-01-26T18:16:54Z | |
| dc.date.created | 2008 | |
| dc.identifier | 10.1063/1.2976789 | en_US |
| dc.identifier.uri | https://aip.scitation.org/doi/pdf/10.1063/1.2976789 | en_US |
| dc.identifier.uri | https://aurora.auburn.edu/handle/11200/49953 | |
| dc.identifier.uri | http://dx.doi.org/10.35099/aurora-27 | |
| dc.description.abstract | Vertical ionization energies of C60 and C70 fullerenes are calculated with semidirect implementations of electron propagator methods and a triple- plus polarization basis set. These predictions are in close agreement with photoelectron spectra for final states in which the Koopmans description is qualitatively valid. Many correlation states, where the latter description fails, are predicted by methods with nondiagonal self-energies. | en_US |
| dc.format | en_US | |
| dc.publisher | AIP Publishing | en_US |
| dc.relation.ispartof | Journal of Chemical Physics | en_US |
| dc.relation.ispartofseries | 0021-9606 | en_US |
| dc.rights | © 2008. This is the version of record published by AIP Publishing and is made available under the CC-BY-NC-ND 4.0 license. Item should be cited as:: J. Chem. Phys. 129, 104306 (2008); https://doi.org/10.1063/1.2976789 Submitted: 21 July 2008 . Accepted: 11 August 2008 . Published Online: 09 September 2008 V. G. Zakrzewski, O. Dolgounitcheva, and J. V. Ortiz | en_US |
| dc.title | Electron propagator calculations on C-60 and C-70 photoelectron spectra | en_US |
| dc.type | Text | en_US |
| dc.type.genre | Journal Article, Academic Journal | en_US |
| dc.citation.volume | 129 | en_US |
| dc.citation.spage | 104306-1 | en_US |
| dc.citation.epage | 104306-6 | en_US |
| dc.description.status | Published | en_US |
| dc.description.peerreview | Yes | en_US |