most citedDMRG on top of plane-wave Kohn-Sham orbitals: case study of defected boron nitride

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cond-mat.str-el2020★ 1 cited

DMRG on top of plane-wave Kohn-Sham orbitals: case study of defected boron nitride

Gergely Barcza, Viktor Ivády, Tibor Szilvási +4

In this paper, we analyze the numerical aspects of the inherently multi-reference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density…