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- Bischoff M. M. J., Fang C. M. , De Groot R. A. , Heijnen G. M. M. , Katsnelson M. I. , Kolesnychenko O. Yu. , De Kort R. , Lichtenstein A. I. , Quinn A. J. , de Parma A. L. V. , Yamada T. K. , and Van Kempen H.
(author)
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Scanning tunneling spectroscopy study of surface states of 3d metals: Chemical identification, magnetic contrast and orbital Kondo resonance states
- 2003
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In: Acta Physica Polonica A. ; , s. 231-
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Conference paper (peer-reviewed)
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- 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)
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Electronic structure of magnetic molecules V15: LSDA+U calculations, X-ray emission and photoelectron spectra
- 2003
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In: Physical Review B. ; 67, s. 134408-
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Journal article (peer-reviewed)
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- Colarieti-Tosti, Massimiliano, et al.
(author)
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First-principles theory of intermediate-valence f-electron systems
- 2004
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In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 93:9, s. 096403-
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Journal article (peer-reviewed)abstract
- We propose a first-principles based method for calculating the electronic structure and total energy of solids in an intermediate-valence configuration. The method takes into account correlation effects (d-f Coulomb interaction) and many-body renormalization of the effective hybridization parameter of the f system. As an example, the formation of a pressure-induced intermediate-valence state in Yb is considered and its electronic structure and equation of state are calculated and compared to experimental data. The agreement is found to be excellent for both properties, and we argue that the developed method, which applies to any element or compound, provides for the first time a quantitative theoretical treatment of intermediate-valence materials.
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