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20112015
most citedMaximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites

154 citations · 201 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2015★ 31 cited

Combined first-principles and model Hamiltonian study of the perovskite series RMnO3 (R = La, Pr, Nd, Sm, Eu and Gd)

Roman Kováčik, Sowmya Sathyanarayana Murthy, Carmen E. Quiroga +2

We merge advanced ab initio schemes (standard density functional theory, hybrid functionals and the GW approximation) with model Hamiltonian approaches (tight-binding and Heisenber…