High-energy electron and X-ray scattering cross sections of N 2. A MR-SDCI study

The N 2 molecule is known to display large discrepancies between calculated and experimental high-energy electron scattering cross sections. In order to resolve uncertainties with regard to the hitherto incomplete correlation treatment, experimentally accessible scattering cross sections (including...

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Bibliographic Details
Published inChemical physics letters Vol. 236; no. 4; pp. 497 - 502
Main Authors Meyer, Hermann, Müller, Thomas, Schweig, Armin
Format Journal Article
LanguageEnglish
Published Elsevier B.V 21.04.1995
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Summary:The N 2 molecule is known to display large discrepancies between calculated and experimental high-energy electron scattering cross sections. In order to resolve uncertainties with regard to the hitherto incomplete correlation treatment, experimentally accessible scattering cross sections (including those for X-ray scattering) are calculated from highly correlated MR-SDCI wavefunctions. The results suggest that even accounting for the entire electron correlation will not give satisfactory overall agreement between theory and experiment.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(95)00247-2