Nonequilibrium Anderson model made simple with density functional theory

Physical Review B 94, 241103(R) (2016)

Nonequilibrium Anderson model made simple with density functional theory

S. Kurth, G. Stefanucci

The single-impurity Anderson model is studied within the i-DFT framework, a recently proposed extension of density functional theory for the description of electron transport in the steady state. i-DFT is designed to give both the steady current and density at the impurity, and it requires the knowledge of the exchange-correlation (xc) part of the effective bias and on-site potential (gate). In this work we construct an approximation for both quantities and obtain the differential conductance in a wide range of temperatures, gates and biases at negligible computational cost. The results are in excellent agreement with those obtained with the functional and numerical renormalization group.

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Doi
http://dx.doi.org/10.1103/PhysRevB.94.241103
arxiv
http://arxiv.org/abs/1605.09330

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