PL EN


Preferences help
enabled [disable] Abstract
Number of results
1993 | 84 | 6 | 1049-1054
Article title

Influence of Configuration Interaction on the Magnetic Circular Dichroism Spectra of C_{60} Molecule

Content
Title variants
Languages of publication
EN
Abstracts
EN
A_{1}/D_{0} and D_{0} characteristics of magnetic circular dichroism and absorption spectra are studied for the low-energy A_{g} → T_{1u} transitions in the C_{60} molecule in terms of the self-consistent field Parieser-Parr-Pople method applied in the full configuration interaction-1 treatment. The effects are discussed at different levels of configuration interaction and the results are compared to the earlier ones obtained From the CNDO/S method. We argue that the earlier treatment fails to account correctly for the experimental magnetic circular dichroism and absorption spectra of C_{60} molecule. This is most probably due to deficiency of the configuration interaction basis set and/or to the intrinsic parametrization of complete neglect of differential overlap method.
Keywords
EN
Year
Volume
84
Issue
6
Pages
1049-1054
Physical description
Dates
published
1993-12
received
1993-07-30
References
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv84z604kz
Identifiers
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.