398 citations · 628 across the 3 of their papers we have counts for
4 papers · 1 filter
Orbital-assisted metal-insulator transition in VO
M. W. Haverkort, Z. Hu, A. Tanaka +9
We found direct experimental evidence for an orbital switching in the V 3d states across the metal-insulator transition in VO. We have used soft-x-ray absorption spectroscopy…
Momentum-resolved spectral functions of SrVO calculated by LDA+DMFT
I. A. Nekrasov, K. Held, G. Keller +6
LDA+DMFT, the merger of density functional theory in the local density approximation and dynamical mean-field theory, has been mostly employed to calculate k-integrated spectra acc…
A new hybrid LDA and Generalized Tight-Binding method for the electronic structure calculations of strongly correlated electron systems
V. A. Gavrichkov, M. M. Korshunov, S. G. Ovchinnikov +3
A novel hybrid scheme is proposed. The {\it ab initio} LDA calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband…
Crystal-field splitting for low symmetry systems in ab initio calculations
S. V. Streltsov, A. S. Mylnikova, A. O. Shorikov +3
In the framework of the LDA+U approximation we propose the direct way of calculation of crystal-field excitation energy and apply it to La and Y titanates. The method developed can…