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Role of nonspherical double counting in DFT plus DMFT: total energy and structural optimization of pnictide superconductors
- 1.KRISTANOVSKI, O., SHICK, Alexander, LECHERMANN, F., LICHTENSTEIN, A.I. Role of nonspherical double counting in DFT plus DMFT: total energy and structural optimization of pnictide superconductors. Physical Review B. 2018, 97(20), 1-4), 201116. ISSN 2469-9950. E-ISSN 2469-9969. Dostupné z: doi: 10.1103/PhysRevB.97.201116
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