Electron propagator calculations on C-60 and C-70 photoelectron spectra

Zakrzewski, V. G.; Dolgounitcheva, O.; Ortiz, J.V.

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	PDF	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

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