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Electronic structure of V$_{15}$ magnetic molecules (K$_6$ [V$_{15}$ As$_6$O$_{42}$ (H$_2$O)] \cdot 8H$_2$O)$ has been studied using LSDA+U band structurecalculations, and measurements of X-ray photoelectron (valence band, corelevels) and X-ray fluorescence spectra (vanadium K$\beta_5$ and L$_{2,3}$, andoxygen K$\alpha$). Experiments confirm that vanadium ions are tetravalent inV$_{15}$, and their local atomic structure is close to that of CaV$_3$O$_7$.Comparison of experimental data with the results of electronic structurecalculations show that the LSDA+U method provides a description of theelectronic structure of V$_{15}$ which agrees well with experiments.Comment: RevTeX 4, 7 pages, 10 figure

physical review. b, condensed matter

Electronic structure of magnetic molecules<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</mml:mi></mml:mrow><mml:mrow><mml:mn>15</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>:</mml:mo></mml:math> LSDA+U calculations, x-ray emissions, and photoelectron spectra

Electronic structure of magnetic moleculesV15: LSDA+U calculations, x-ray emissions, and photoelectron spectra