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The electronic structure of NaF and CaO studied by Compton scattering (1989)

Redinger, J. ; Podloucky, R. ; Manninen, S. ; [et al.]

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 45 (1989), S. 478-485

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: Compton profiles of NaF and CaO single crystals were measured along the [100] and [110] directions using 60 key gamma rays. A theoretical analysis based on Compton profiles and autocorrelation functions was performed by application of the augmented plane wave (APW) and linear combination of atomic orbitals (LCAO) methods. In the case of NaF both theories agree well with each other but their results differ in a characteristic manner from the experiment. For CaO a good agreement of the APW results and experiment especially for the difference quantities is found whereas the LCAO model yields less satisfying results in this case.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108767389002710

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