Projector Self-Consistent DFT+U Using Nonorthogonal Generalised Wannier Functions
作者： David D. O’Regan , Nicholas D. M. Hine , Mike C. Payne , Arash A. Mostofi
DOI: 10.1103/PHYSREVB.82.081102
关键词:
摘要: The DFT+U energy functional depends not only on the electronic density and Hubbard interaction parameters, but additionally a set of projections which delineate correlated subspaces.
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128.84.21.199参考文章(61)
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