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Register a new userUltrafast Dynamics of Strongly Correlated Fermions -- Nonequilibrium Green Functions and Selfenergy Approximations
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This article presents an overview on recent progress in the theory of nonequilibrium Green functions (NEGF). NEGF, presently, are the only textit{ab-initio} quantum approach that is able to study the dynamics of correlations for long times in two and three dimensions. However, until recently, NEGF simulations have mostly been performed with rather simple selfenergy approximations such as the second-order Born approximation (SOA). While they correctly capture the qualitative trends of the relaxation towards equilibrium, the reliability and accuracy of these NEGF simulations has remained open, for a long time. Here we report on recent tests of NEGF simulations for finite lattice systems against exact-diagonalization and density-matrix-renormalization-group benchmark data. The results confirm the high accuracy and predictive capability of NEGF simulations---provided selfenergies are used that go beyond the SOA and adequately include strong correlation and dynamical-screening effects. We present a selfcontained introduction to the theory of NEGF and give an overview on recent numerical applications to compute the ultrafast relaxation dynamics of correlated fermions. In the second part we give a detailed introduction to selfenergies beyond the SOA. Important examples are the third-order approximation, the GWAx, the TMA and the fluctuating-exchange approximation. We give a comprehensive summary of the explicit selfenergy expressions for a variety of systems of practical relevance, starting from the most general expressions and the Feynman diagrams, and including also the important cases of diagonal basis sets, the Hubbard model and the differences occuring for bosons and fermions. With these details, and information on the computational effort and scaling with the basis size and propagation duration, an easy use of these approximations in numerical applications is made possible.
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The dynamics of strongly correlated fermions following an external excitation reveals extremely rich collective quantum effects. Examples are fermionic atoms in optical lattices, electrons in correlated materials, and dense quantum plasmas. Presently, the only quantum-dynamics approach that rigorously describes these processes in two and three dimensions is nonequilibrium Green functions (NEGF). However, NEGF simulations are computationally expensive due to their $T^3$ scaling with the simulation duration $T$. Recently, $T^2$ scaling was achieved with the generalized Kadanoff--Baym ansatz (GKBA) which has substantially extended the scope of NEGF simulations. Here we present a novel approach to GKBA-NEGF simulations that is of order $T$, and demonstrate its remarkable capabilities.
We review a representation of Hubbard-like models that is based on auxiliary pseudospin variables. These pseudospins refer to the local charge modulo two in the original model and display a local Z_2 gauge freedom. We discuss the associated mean-field theory in a variety of different contexts which are related to the problem of the interaction-driven metal-insulator transition at half-filling including Fermi surface deformation and spectral features beyond the local approximation. Notably, on the mean-field level, the Hubbard bands are derived from the excitations of an Ising model in a transverse field and the quantum critical point of this model is identified with the Brinkman-Rice criticality of the almost localized Fermi liquid state. Non-local correlations are included using a cluster mean-field approximation and the Schwinger boson theory for the auxiliary quantum Ising model.
High precision measurements of the Hall effect have been carried out for archetypal heavy fermion compound - CeAl3 in a wide range of temperatures 1.8-300K. For the first time a complex activated behavior of the Hall coefficient in CeAl3 with activation energies Ea1/kB=220K and Ea2/kB=3.3K has been observed in the temperature intervals 50-300K and 10-35K respectively. At temperatures below the maximum of the Hall effect T<Tmax=10K an asymptotic dependence RH(T)=exp(-Ea3/kBT) was found in CeAl3 with the value Ea3/kB=0.38K estimated from the experimental data. The temperature evolution of microscopic parameters (effective mass and localization radius) evaluated for the many-body states (heavy fermions) is discussed in terms of an electron-polaron states formation in vicinity of Ce-sites in the CeAl3 matrix.
The nonequilibrium dynamics of strongly-correlated fermions in lattice systems have attracted considerable interest in the condensed matter and ultracold atomic-gas communities. While experiments have made remarkable progress in recent years, there remains a need for the further development of theoretical tools that can account for both the nonequilibrium conditions and strong correlations. For instance, time-dependent theoretical quantum approaches based on the density matrix renormalization group (DMRG) methods have been primarily applied to one-dimensional setups. Recently, two-dimensional quantum simulations of the expansion of fermions based on nonequilibrium Green functions (NEGF) have been presented [Schluenzen et al., Phys. Rev. B 93, 035107 (2016)] that showed excellent agreement with the experiments. Here we present an extensive comparison of the NEGF approach to numerically accurate DMRG results. The results indicate that NEGF are a reliable theoretical tool for weak to intermediate coupling strengths in arbitrary dimensions and make long simulations possible. This is complementary to DMRG simulations which are particularly efficient at strong coupling.
We introduce a new mathematical object, the fermionant ${mathrm{Ferm}}_N(G)$, of type $N$ of an $n times n$ matrix $G$. It represents certain $n$-point functions involving $N$ species of free fermions. When N=1, the fermionant reduces to the determinant. The partition function of the repulsive Hubbard model, of geometrically frustrated quantum antiferromagnets, and of Kondo lattice models can be expressed as fermionants of type N=2, which naturally incorporates infinite on-site repulsion. A computation of the fermionant in polynomial time would solve many interesting fermion sign problems.
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