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Electronic structure of V2O3: Wannier orbitals from LDA-MTO calculations
T. Saha-Dasgupta, O. K. Andersen, J. Nuss +3
Using muffin-tin orbital (MTO) based NMTO-downfolding procedure within the framework of local density approximation, we construct the Wannier orbitals for the manifold of…
Electronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis
Alexander B. Shick, Jindrich Kolorenč, Alexander I. Lichtenstein +1
We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the char…
Spin-orbit induced non-collinear spin structure in deposited transition metal clusters
S. Mankovsky, S. Bornemann, J. Minár +4
The influence of the spin-orbit coupling on the magnetic structure of deposited transition metal nanostructure systems has been studied by fully relativistic electronic structure c…