We propose an analytic response theory for the density matrix renormalization group whereby response properties correspond to analytic derivatives of density matrix renormalization group observables with respect to the applied perturbations. Both static and frequency-dependent response theories are formulated and implemented. We evaluate our pilot implementation by calculating static and frequency dependent polarizabilities of short oligo-di-acetylenes. The analytic response theory is competitive with dynamical density matrix renormalization group methods and yields significantly improved accuracies when using a small number of density matrix renormalization group states. Strengths and weaknesses of the analytic approach are discussed.
The explicit evaluation of linear response coefficients for interacting many-particle systems still poses a considerable challenge to theoreticians. In this work we use a novel many-particle renormalization technique, the so-called projector-based renormalization method, to show how such coefficients can systematically be evaluated. To demonstrate the prospects and power of our approach we consider the dynamical wave-vector dependent spin susceptibility of the two-dimensional Hubbard model and also determine the subsequent magnetic phase diagram close to half-filling. We show that the superior…
We analyse the dynamical density fluctuation spectra for cuprates starting from the $t-J$ model in a slave-boson 1/N representation. The results obtained are consistent with diagonalization studies and show novel low-energy structure on the energy scale $J+δt$ due to the correlated motion of holes in a RVB spin liquid. The low-energy response implies an anomalous renormalization of several phonon modes. Here we discuss the renormalization of the highest breathing phonons in La$_{2-x}$Sr$_x$CuO$_4$.
Nonlinear responses in condensed matter are intensively studied because they provide rich information about materials and hold the possibility of being applied in diodes or high-frequency optical devices. While nonlinear responses in noninteracting models have been explored widely, the effect of strong correlations on the nonlinear response is still poorly understood, even though it has been suggested that correlations can enhance the nonlinear response. In this work, we first give an analytical derivation of nonlinear responses using the Green's function methods at finite temperature. Then, w…
The density fluctuation spectrum $N({\bf k},ω)$ is calculated for the t-J model in the low-doping regime using a slave-fermion method for the constrained fermions. The obtained results for $N({\bf k},ω)$ are in good agreement with diagonalization results. The density response is characterized by incoherent, momentum dependent spectral functions reaching up to energies $\sim 8t$ and a low-energy structure at energy $\sim J$ due to transitions in the quasiparticle band. $N({\bf k},ω)$ is shown to lead to a strong renormalization of planar bond-streching and breathing phonon modes with a large ph…
Linear response theory for the density matrix renormalization group (DMRG-LRT) was first presented in terms of the DMRG renormalization projectors [Dorando et al., J. Chem. Phys. 130, 184111 (2009)]. Later, with an understanding of the manifold structure of the matrix product state (MPS) ansatz, which lies at the basis of the DMRG algorithm, a way was found to construct the linear response space for general choices of the MPS gauge in terms of the tangent space vectors [Haegeman et al., Phys. Rev. Lett. 107, 070601 (2011)]. These two developments led to the formulation of the Tamm-Dancoff and …
We study Kitaev model in one-dimension with open boundary condition by using exact analytic methods for non-interacting system at zero chemical potential as well as in the symmetric case of Δ = t, and by using density-matrix-renormalizationgroup method for interacting system with nearest neighbor repulsion interaction. We suggest and examine an edge correlation function of Majorana fermions to characterize the long range order in the topological superconducting states and study the phase diagram of the interating Kitaev chain.
One-dimensional Mott insulators exhibit giant nonlinear optical response. Based on the dynamical density matrix renormalization group method, photoexcited states and optical response in the insulators are studied as functions of the on-site and the nearest neighbor Coulomb interactions, $U$ and $V$, respectively. We find that the lowest optically-allowed and forbidden excited states, which have odd and even parities, respectively, are degenerate for $V/t\ltsim 2$ with $t$ being the hopping integral of an electron between nearest neighbor sites. For $V/t\gtsim 2$, the bound states with even and…
We present a functional renormalization group (fRG) study of the two dimensional Hubbard model, performed with an algorithmic implementation which lifts some of the common approximations made in fRG calculations. In particular, in our fRG flow; (i) we take explicitly into account the momentum and the frequency dependence of the vertex functions; (ii) we include the feedback effect of the self-energy; (iii) we implement the recently introduced multiloop extension which allows us to sum up {\emph{all}} the diagrams of the parquet approximation with their exact weight. Due to its iterative struct…
This paper provides a study and discussion of earlier as well as novel more efficient schemes for the precise evaluation of finite-temperature response functions of strongly correlated quantum systems in the framework of the time-dependent density matrix renormalization group (tDMRG). The computational costs and bond dimensions as functions of time and temperature are examined for the example of the spin-1/2 XXZ Heisenberg chain in the critical XY phase and the gapped Néel phase. The matrix product state purifications occurring in the algorithms are in one-to-one relation with corresponding ma…
A light impurity in a Fermi sea undergoes a transition from a polaron to a molecule for increasing interaction. We develop a new method to compute the spectral functions of the polaron and molecule in a unified framework based on the functional renormalization group with full self-energy feedback. We discuss the energy spectra and decay widths of the attractive and repulsive polaron branches as well as the molecular bound state and confirm the scaling of the excited state decay rate near the transition. The quasi-particle weight of the polaron shifts from the attractive to the repulsive branch…
We implement an efficient numerical method to calculate response functions of complex impurities based on the Density Matrix Renormalization Group (DMRG) and use it as the impurity-solver of the Dynamical Mean Field Theory (DMFT). This method uses the correction vector to obtain precise Green's functions on the real frequency axis at zero temperature. By using a self-consistent bath configuration with very low entanglement, we take full advantage of the DMRG to calculate dynamical response functions paving the way to treat large effective impurities such as those corresponding to multi-orbital…
We study the emergence of quasiparticles in Hund's metals with an SU($M$)$\times$SU($N$)-symmetric Kondo impurity model carrying both spin and orbital degrees of freedom. We show that the coupling of the impurity spin to the conduction electrons can be \emph{ferromagnetic}, notably for hole-doped iron pnictides. We derive the weak-coupling renormalization group (RG) equations for arbitrary representations of SU($M$)$\times$SU($N$). A ferromagnetic spin coupling results in a protracted RG flow, accounting for the surprising particle-hole asymmetry that is observed in the iron-pnictide systems. …
We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems.The dynamical DMRG is used to compute the linear response of a finite system to an applied AC source-drain voltage, then the low-frequency finite-system response is extrapolated to the thermodynamic limit to obtain the DC conductance of an infinite system. The method is demonstrated on the one-dimensional spinless fermion model at half filling. Our method is able to replicate several predictions of the Luttinger liquid theor…
We introduce a simple, exactly solvable strong-randomness renormalization group (RG) model for the many-body localization (MBL) transition in one dimension. Our approach relies on a family of RG flows parametrized by the asymmetry between thermal and localized phases. We identify the physical MBL transition in the limit of maximal asymmetry, reflecting the instability of MBL against rare thermal inclusions. We find a critical point that is localized with power-law distributed thermal inclusions. The typical size of critical inclusions remains finite at the transition, while the average size is…
We present an approximate scheme for analytical gradients and nonadiabatic couplings for calculating state-average density matrix renormalization group self-consistent-field wavefunction. Our formalism follows closely the state-average complete active space self-consistent-field (SA-CASSCF) \emph{ansatz}, which employs a Lagrangian, and the corresponding Lagrange multipliers are obtained from a solution of the coupled-perturbed CASSCF (CP-CASSCF) equations. We introduce a definition of the matrix product state (MPS) Lagrange multipliers based on a single-site tensor in a mixed-canonical form o…
We introduce a Lagrangian formulation of the Density Matrix Renormalization Group (DMRG). We present Lagrangians which when minimised yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz, as well as within the canonical form of the matrix product that is constructed within the DMRG sweep algorithm. Some of the results obtained are similar to elementary expressions in Hartree-Fock theory, and we draw attention to such analogies. The Lagrangians introduced here will be useful in developing theories of analytic response and derivatives in the D…
We present the results of a Wilson Renormalization Group study of the single-impurity Kondo and Anderson models in a system with a gap in the conduction electron spectrum. The behavior of the impurity susceptibility and the zero-frequency response function, $T<<S_z; S_z>>$ are discussed in the cases with and without particle-hole symmetry. In addition, for the asymmetric Anderson model the correlation functions, $<\vec S \cdot\vec σ(0)>$,$<n_d>$, and $<n_d(2-n_d)>$ are computed.
Using a real-time renormalization group method we study the minimal model of a quantum dot dominated by charge fluctuations, the two-lead interacting resonant level model, at finite bias voltage. We develop a set of RG equations to treat the case of weak and strong charge fluctuations, together with the determination of power-law exponents up to second order in the Coulomb interaction. We derive analytic expressions for the charge susceptibility, the steady-state current and the conductance in the situation of arbitrary system parameters, in particular away from the particle-hole symmetric poi…
We present a novel numerical method for the evaluation of dynamical response functions at finite temperatures in one-dimensional strongly correlated systems. The approach is based on the density-matrix renormalization group method, combined with the finite-temperature Lanczos diagonalization. The feasibility of the method is tested on the example of dynamical spin correlations in the anisotropic Heisenberg chain, in particular it yields nontrivial results for the critical behavior in the isotropic case.
We examine the third-order non-linear optical response of a one-dimensional Mott insulator coupled with phonons. The Mott insulator is described by an extended Hubbard-Holstein model. The third harmonic generation (THG) of the model is calculated by dynamical density-matrix renormalization group. We find that the electron-phonon interaction enhances the intensity of THG if the on-site Coulomb interaction is comparable to the band width, but the enhancement is small for a realistic parameter value of a typical Mott insulator Sr$_2$CuO$_3$. The low-energy spin excitation does not contribute to t…
We study the optical response of a Mott Hubbard system in the framework of the half--filled Extended Hubbard Model using the Density Matrix Renormalization Group (DMRG) method. We discuss the appearance of excitonic features inside the spectral gap as the system goes from the Spin Density Wave (SDW) to the Charge Density Wave (CDW) phase.
We study numerically and analytically the dynamical (AC) conductance through a two-dot system, where only one of the dots is coupled to the leads but it is also side-coupled to the other dot through an antiferromagnetic exchange (RKKY) interaction. In this case the RKKY interaction gives rise to a ``two-stage Kondo effect'' where the two spins are screened by two consecutive Kondo effects. We formulate a renormalized scaling theory that captures remarkably well the cross-over from the strongly conductive correlated regime to the low temperature low conductance state. Our analytical formulas ag…
We present numerical renormalization group (NRG) calculations for a single-impurity Anderson model with a linear coupling to a local phonon mode. We calculate dynamical response functions, spectral densities, dynamic charge and spin susceptibilities. Being non-perturbative, the NRG is applicable for all parameter regimes. Our calculations cover both weak and strong electron-phonon coupling for zero and finite electron-electron interaction. We interpret the high- and low-energy features and compare our results to atomic limit calculations and perturbation theory. In certain restricted parameter…
We define, compute and analyze the nonequilibrium differential optical conductivity of the one-dimensional extended Hubbard model at half-filling after applying a pump pulse, using the time-dependent density matrix renormalization group method. The melting of the Mott insulator is accompanied by a suppression of the local magnetic moment and ensuing photogeneration of doublon-holon pairs. The differential optical conductivity reveals $(i)$ mid-gap states related to parity-forbidden optical states, and $(ii)$ strong renormalization and hybridization of the excitonic resonance and the absorption…
We present a technique for calculating non-equilibrium Green functions for impurity systems with local interactions. We use an analogy to the calculation of response functions in the x-ray problem.The initial state and the final state problems, which correspond to the situations before and after the disturbance (an electric or magnetic field, for example) is suddenly switched on, are solved with the aid of Wilson's momentum shell renormalization group. The method is illustrated by calculating the non-equilibrium dynamics of the ohmic two-state problem.
We theoretically study the electromagnetic interaction in Dirac systems with $N$ nodes by using the renormalization group, which is relevant to the quantum critical phenomena of topological phase transition ($N=1$) and Weyl semimetals ($N=4$ or $N=12$). Compared with the previous work for $N=1$ [H. Isobe and N. Nagaosa, Phys. Rev. B 86, 165127 (2012); arXiv:1205.2427], we obtained the analytic solution for the large $N$ limit, which differs qualitatively for the scaling of the speed of light $c$ and that of electron $v$, i.e., $v$ does notchange while $c$ is reduced to $v$. We also found a rea…
We present a numerical approach to study the coherent transport of Cooper pairs through a Hubbard chain, and study the role of the contacts in achieving perfect Andreev reflection. We calculate the pair transport using the Density Matrix Renormalization Group by measuring the response of the system to quantum pair fields with complex phases on the two ends of an open system. This approach gives an effective superfluid weight which is in close agreement with the Bethe Ansatz results for the superfluid weight for closed Hubbard rings.
The density of low energy particle-hole excitations is non-analytic in a singular Fermi-liquid, but it is altered on entering a superconducting state in which, in the pure limit, it vanishes asymptotically at the chemical potential and in general is analytic. The single-particle excitations in the superconducting states are then quasi-particles so that a form of Landau theory may be constructed for thermodynamic and transport properties in the superconducting state. In this theory, the renormalization of measurable properties due to quasi-particle interactions, such as specific heat, compressi…
Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models (see A. Weichselbaum and J. von Delft) by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller (2005). While these developments prove particularly useful in the calculation of transient response and finite temperature Green's functions of quantum impurity models, they may also be used to calculate thermodynamic properties. In this paper, we assess the FDM approach to thermodynamic properties by applying it to t…
Understanding the intricate properties of one-dimensional quantum systems coupled to multiple reservoirs poses a challenge to both analytical approaches and simulation techniques. Fortunately, density matrix renormalization group-based tools, which have been widely used in the study of closed systems, have also been recently extended to the treatment of open systems. We present an implementation of such method based on state-of-the-art matrix product state (MPS) and tensor network methods, that produces accurate results for a variety of combinations of parameters. Unlike most approaches, which…
