126 citations · 150 across the 4 of their papers we have counts for
4 papers
Third-generation muffin-tin orbitals
O. K. Andersen, T. Saha-Dasgupta, S. Ezhov
By the example of sp^3-bonded semiconductors, we illustrate what 3rd-generation muffin-tin orbitals (MTOs) are. We demonstrate that they can be downfolded to smaller and smaller ba…
Orbital occupation, local spin and exchange interactions in V2O3
S. Yu. Ezhov, V. I. Anisimov, D. I. Khomskii +1
We present the results of an LDA and LDA+U band structure study of the monoclinic and the corundum phases of V2O3 and argue that the most prominent (spin 1/2) models used to descri…
Intermediate-spin state and properties of LaCoO_3
M. A. Korotin, S. Yu. Ezhov, I. V. Solovyev +3
The electronic structure of the perovskite LaCoO for different spin states of Co ions was calculated in the LDA+U approach. The ground state was found to be a nonmagnetic insul…
Singlet and triplet doped-hole configurations in La_2Cu_0.5Li_0.5O_4
V. I. Anisimov, S. Yu. Ezhov, T. M. Rice
The ordered alloy La_2Li_{0.5}Cu_{0.5}O_4 is found to be a band insulator in local density approximation (LDA) calculations with the unoccupied conduction band having predominantly…