Self-Interaction and Polarons in Density Functional Theory
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We have performed extensive density matrix renormalization group (DMRG) studies of the Hubbard model on a honeycomb ladder. The band structure (with Hubbard U = 0) exhibits an unusual quadratic band touching at half-filling, which is associated with a quan ...
We show that spin S Heisenberg spin chains with an additional three-body interaction of the form (Si-1 center dot S-i)(S-i center dot S-i (+) (1)) + H.c. possess fully dimerized ground states if the ratio of the three-body interaction to the bilinear one i ...
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Abstract Electronic properties of low-dimensional systems — and particularly quasi-one-dimensional systems — together with related correlated electron phenomena have for quite some time been at the very frontier of condensed matter physics. The interest ra ...
High-resolution angle-resolved photoemission data show that a metal-insulator Mott transition occurs at the surface of the quasi-two-dimensional compound 1T-TaSe2. The transition is driven by the narrowing of the Ta 5d band induced by a temperature-depende ...
Pseudopotential calculations within density-functional theory for a few selected solids (Si, GaAs, and Al) are used to assess the validity of two generalized-gradient approximations (GGA's), the one proposed by Becke and Perdew (BP) and the more recent one ...
