X-ray absorption and natural circular dichroism spectra of C84: A theoretical study using the complex polarization propagator approach
2008 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 128, no 23Article in journal (Refereed) Published
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
National CategoryEngineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-46877DOI: 10.1063/1.2937906OAI: oai:DiVA.org:liu-46877DiVA: diva2:267773