Anisimov, V. I., Korotin, Dm. M., Korotin, M. A., Kozhevnikov, A. V., Kuneš, J., Shorikov, A. O., ...
LDA+DMFT (Local Density Approximation combined with Dynamical Mean-Field Theory) computation scheme has been used to calculate spectral properties of LaFeAsO -- the parent compound for new high-T$_c$...
Mazurenko, V. V., Skornyakov, S. L., Anisimov, V. I., Mila, F.
We report on a first-principles investigation of the electronic structure and of the magnetic properties of the quasi-two-dimensional Mott insulator SrCu$_{2}$(BO$_{3}$)$_{2}$. Based on the hopping...
Coulomb correlation effects in LaOFeAs: LDA+DMFT(QMC) study (2008)
Shorikov, A. O., Korotin, M. A., Streltsov, S. V., Skornyakov, S. L., Korotin, D. M., Anisimov, V. I.
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation...
Korotin, Dm., Kozhevnikov, A. V., Skornyakov, S. L., Leonov, I., Binggeli, N., Anisimov, V. I., ...
Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials. We propose a...
NiO: Correlated Bandstructure of a Charge-Transfer Insulator (2007)
Kunes, J., Anisimov, V. I., Skornyakov, S. L., Lukoyanov, A. V., Vollhardt, D.
The bandstructure of the prototypical charge-transfer insulator NiO is computed by using a combination of an {\it ab initio} bandstructure method and the dynamical mean-field theory with a quantum...
Wannier functions and exchange integrals: The example of LiCu$_{2}$O$_{2}$ (2007)
Mazurenko, V. V., Skornyakov, S. L., Kozhevnikov, A. V., Mila, F., Anisimov, V. I.
Starting from a single band Hubbard model in the Wannier function basis, we revisit the problem of the ligand contribution to exchange and derive explicit formulae for the exchange integrals in metal...