Acta Crystallographica Section C
Acta Crystallographica
Section C
STRUCTURAL CHEMISTRY
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computational materials discovery
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Acta Cryst.
(2014).
C
70
,
137-159
https://doi.org/10.1107/S2053229613032312
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Download citation
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Investigation of real materials with strong electronic correlations by the LDA+DMFT method
V. I. Anisimov
and
A. V. Lukoyanov
A review of the LDA+DMFT method and examples of its applications to real materials with strong electronic correlations, including SrVO
3
, V
2
O
3
, LiV
2
O
4
, iron pnictide materials, metallic cerium, NiO and MnO.
Keywords:
computational materials discovery
;
LDA+DMFT method
;
electronic correlations
;
Wannier functions
;
metal-insulator phase transition
.
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