most citedA new hybrid LDA and Generalized Tight-Binding method for the electronic structure calculations of strongly correlated electron systems

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cond-mat.str-el2005★ 91 cited

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…