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1.	Boukhvalov D. W., Kurmaev E. Z. , Moewes A. , Zatsepin D. A., Cherkashenko V. M., Nemnonov S. N., Finkelstein L. D. , Yarmoshenko Yu. M., Neumann M., Dobrovitski V. V. , Katsnelson M. I. , Lichtenstein A. I. , Harmon B. N. , Kögerler P. (author) Electronic structure of magnetic molecules V15: LSDA+U calculations, X-ray emission and photoelectron spectra 2003 In: Physical Review B. ; 67, s. 134408- Journal article (peer-reviewed)
2.	Boukhvalov, D. W., et al. (author) Electronic structure of a Mn-12 molecular magnet : Theory and experiment 2007 In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 75:1, s. 014419- Journal article (peer-reviewed)abstract We used site-selective and element-specific resonant inelastic x-ray scattering (RIXS) to study the electronic structure and the electron interaction effects in the molecular magnet [Mn12O12(CH3COO)(16)(H2O)(4)]center dot 2CH(3)COOH center dot 4H(2)O, and compared the experimental data with the results of local spin density approximation +U electron structure calculations which include the on-site Coulomb interactions. We found a good agreement between theory and experiment for the Coulomb repulsion parameter U = 4 eV. In particular, the p-d band separation of 1.8 eV has been found from the RIXS spectra, which is in accordance with the calculations. Similarly, the positions of the peaks in the XPS spectra agree with the calculated densities of p and d states. Using the results of the electronic structure calculations, we determined the intramolecular exchange parameters, and used them for diagonalization of the Mn-12 spin Hamiltonian. The calculated exchanges gave the correct ground state with the total spin S = 10.
3.	Boukhvalov D. W., Lichtenstein A. I., Dobrovitski V. V., Katsnelson M. I., Harmon B. N., Mazurenko V. V., Anisimov V. I. (author) Effect of local Coulomb interactions on the electronic structure and exchange interactions in Mn12 magnetic molecules 2002 In: Physical Review B. ; 65, s. 184435- Journal article (peer-reviewed)
4.	Boukhvalov D. W., Dobrovitski V. V., Katsnelson M. I. , Lichtenstein A. I., Harmon B. N., Kögerler P. (author) Electronic structure and exchange interactions in V15 magnetic molecules 2003 In: Journal of Applied Physics. ; , s. 7080- Conference paper (peer-reviewed)
5.	de Raedt H. A., Hams A. H., Dobrovitski V. V., Al-Sager M., Katsnelson M. I., Harmon B. N. (author) Many-spin effects and tunneling splittings in Mn12 magnetic molecules 2002 In: Journal of Magnetism and Magnetic Materials. ; 246, s. 392- Journal article (peer-reviewed)
6.	De Raedt, H.A., et al. (author) Many-spin calculation of tunneling splittings in Mn12 magnetic molecules 2002 In: J. Appl. Phys.. ; 91, s. 7152- Journal article (other academic/artistic)
7.	Dobrovitski V. V., De Raedt H. A., Katsnelson M. I., Harmon B. N. (author) Quantum oscillations without quantum coherence 2003 In: Physical Review Letters. ; 90, s. 210401- Journal article (peer-reviewed)
8.	Dobrovitski V. V., Katsnelson M. I., Harmon B. N. (author) Length scale coupling for nonlinear dynamical problems in magnetism 2003 In: Physical Review Letters. ; 90, s. 067201- Journal article (peer-reviewed)
9.	Dobrovitski V. V., Katsnelson M. I., Harmon B. N. (author) Statistical coarse graining as an approach to multiscale problems in magnetism 2003 In: Journal of Applied Physics. ; , s. 6432- Conference paper (peer-reviewed)
10.	Katsnelson M. I., Dobrovitski V. V., De Raedt H. A., Harmon B. N. (author) Destruction of the Kondo effect by a local measurement 2003 In: Physics Letters A. ; 318, s. 445- Journal article (peer-reviewed)

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Type of publication: journal article (8); conference paper (2)

Type of content: peer-reviewed (9); other academic/artistic (1)

Author/Editor: Al-Saqer, M. (2); Dobrovitski, V. V. (2); Harmon, B. N. (2); Dobrovitski V. V., K ... (2); Neumann, M. (1); Katsnelson, Mikhail, ... (1); show more...; Katsnelson, M I (1); Lichtenstein, A. I. (1); Boukhvalov D. W., Do ... (1); Boukhvalov, D. W. (1); Kurmaev, E. Z. (1); Moewes, A. (1); Galakhov, V. R. (1); Finkelstein, L. D. (1); Chiuzbaian, S. (1); Endo, K. (1); North, J. M. (1); Dalal, N. S. (1); Boukhvalov D. W., Ku ... (1); Boukhvalov D. W., Li ... (1); de Raedt H. A., Hams ... (1); De Raedt, H.A. (1); Hams, A.H. (1); Dobrovitski V. V., D ... (1); Katsnelson M. I., Do ... (1); show less...

University: Uppsala University (10)

Language: English (10)

Research subject (UKÄ/SCB): Natural sciences (9); Engineering and Technology (2)

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