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Showing 2018 · cond-mat.str-elShow all
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cond-mat.str-el2018★ 48 cited
Machine learning density functional theory for the Hubbard model
James Nelson, Rajarshi Tiwari, Stefano Sanvito
The solution of complex many-body lattice models can often be found by defining an energy functional of the relevant density of the problem. For instance, in the case of the Hubbar…
cond-mat.str-el2018★ 76 cited
The role of spin in the calculation of Hubbard and Hund's parameters from first principles
Edward B. Linscott, Daniel J. Cole, Michael C. Payne +1
The density functional theory (DFT)+ method is a pragmatic and effective approach for calculating the ground-state properties of strongly-correlated systems, and linear response…