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X-ray absorption and natural circular dichroism spectra of C84: A theoretical study using the complex polarization propagator approach
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
2008 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 128, no 23Article in journal (Refereed) Published
Abstract [en]

The x-ray absorption and circular dichroism K -edge spectra for the D2 -isomer of C84 have been determined using the complex polarization propagator method in conjunction with Kohn-Sham density functional theory. The circular dichroism spectrum is rich in details and, in comparison to the absorption spectrum, it provides a superior resolution of the electronic transitions below the ionization threshold. © 2008 American Institute of Physics.

Place, publisher, year, edition, pages
2008. Vol. 128, no 23
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-46877DOI: 10.1063/1.2937906OAI: oai:DiVA.org:liu-46877DiVA: diva2:267773
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-10

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Jiemchooroj, AuaypornNorman, Patrick

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