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A detailed description of the time-step-targetting time evolution method within the DMRG algorithm is presented. The focus of this publication is on the implementation of the algorithm, and on its generic application. The case of one-site excitations within a Hubbard model is analyzed as a test for the algorithm, using open chains and two-leg ladder geometries. The accuracy of the procedure in the case of the recently discussed holon-doublon photo excitations of Mott insulators is also analyzed. Performance and parallelization issues are discussed. In addition, the full open-source code is provided as supplementary material.
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The purpose of this paper is (i) to present a generic and fully functional implementation of the density-matrix renormalization group (DMRG) algorithm, and (ii) to describe how to write additional strongly-correlated electron models and geometries by using templated classes. Besides considering general models and geometries, the code implements Hamiltonian symmetries in a generic way and parallelization over symmetry-related matrix blocks.
In the Density Matrix Renormalization Group (DMRG) algorithm, Hamiltonian symmetries play an important role. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each matrix block is more efficient than diagonalizing the original matrix. This paper explains how the the DMRG++ code has been extended to handle the non-local SU(2) symmetry in a model independent way. Improvements in CPU times compared to runs with only local symmetries are discussed for the one-orbital Hubbard model, and for a two-orbital Hubbard model for iron-based superconductors. The computational bottleneck of the algorithm and the use of shared memory parallelization are also addressed.
A procedure based on the recently developed ``adaptive time-dependent density-matrix-renormalization-group (DMRG) technique is presented to calculate the zero temperature conductance of nanostructures, such as a quantum dots (QDs) or molecular conductors, when represented by a small number of active levels. The leads are modeled using non-interacting tight-binding Hamiltonians. The ground state at time zero is calculated at zero bias. Then, a small bias is applied between the two leads, the wave-function is DMRG evolved in time, and currents are measured as a function of time. Typically, the current is expected to present periodicities over long times, involving intermediate well-defined plateaus that resemble steady states. The conductance can be obtained from those steady-state-like currents. To test this approach, several cases of interacting and non-interacting systems have been studied. Our results show excellent agreement with exact results in the non-interacting case. More importantly, the technique also reproduces quantitatively well-established results for the conductance and local density-of-states in both the cases of one and two coupled interacting QDs. The technique also works at finite bias voltages, and it can be extended to include interactions in the leads.
A consistent microscopic theory of superconductivity for strongly correlated electronic systems is presented. The Dyson equation for the normal and anomalous Green functions for the projected (Hubbard) electronic operators is derived. To compare various mechanisms of pairing, the extended Hubbard model is considered where the intersite Coulomb repulsion and the electron-phonon interaction are taken into account. We obtain the $d$-wave pairing with high-$T_c$ induced by the strong kinematical interaction of electrons with spin fluctuations, while the Coulomb repulsion and the electron-phonon interaction are suppressed for the $d$-wave pairing. These results support the spin-fluctuation mechanism of high-temperature superconductivity in cuprates previously proposed in phenomenological models.
Superconductivity develops from an attractive interaction between itinerant electrons that creates electron pairs which condense into a macroscopic quantum state--the superconducting state. On the other hand, magnetic order in a metal arises from electrons localized close to the ionic core and whose interaction is mediated by itinerant electrons. The dichotomy between local moment magnetic order and superconductivity raises the question of whether these two states can coexist and involve the same electrons. Here we show that the single 4f-electron of cerium in CeRhIn5 simultaneously produces magnetism, characteristic of localization, and superconductivity that requires itinerancy. The dual nature of the 4f-electron allows microscopic coexistence of antiferromagnetic order and superconductivity whose competition is tuned by small changes in pressure and magnetic field. Electronic duality contrasts with conventional interpretations of coexisting spin-density magnetism and superconductivity and offers a new avenue for understanding complex states in classes of materials.
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