Electronic structure of magnetic molecules V15: LDA+U calculations,   X-ray emission and photoelectron spectra
  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 structure calculations, and measurements of X-ray photoelectron (valence band, core levels) and X-ray fluorescence spectra (vanadium K$\beta_5$ and L$_{2,3}$, and oxygen K$\alpha$). Experiments confirm that vanadium ions are tetravalent in V$_{15}$, and their local atomic structure is close to that of CaV$_3$O$_7$. Comparison of experimental data with the results of electronic structure calculations show that the LSDA+U method provides a description of the electronic structure of V$_{15}$ which agrees well with experiments. 
D. W. Boukhvalov, E. Z. Kurmaev, A. Moewes, D. A. Zatsepin, V. M.   Cherkashenko, S. N. Nemnonov, L.D. Finkelstein, Yu. M. Y...