Emanuel Gull, Philipp Werner, Olivier Parcollet, Matthias Troyer
We present a continuous-time Monte Carlo method for quantum impurity models, which combines a weak-coupling expansion with an auxiliary-field decomposition. The method is considerably more efficient than Hirsch-Fye and free of time discretization errors, and is particularly useful as impurity solver in large cluster dynamical mean field theory (DMFT) calculations.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
继续探索
Auxiliary-Bath Numerical Renormalization Group Method and Successive Collective Screening in Multi-Impurity Kondo Systems
本文提出辅助浴NRG方法，用于研究多杂质Kondo系统中的连续集体屏蔽现象，揭示了共享浴对非局域空间相关性的重要性。
We review a recently developed method, based on an exact auxiliary boson representation, to describe both Fermi liquid and non-Fermi liquid behavior in quantum impurity systems. Coherent spin and charge fluctuation processes are taken into account in a self-consistent way and are shown to include {\it all} leading and subleading infrared singularities at any given order of the self-consistent loop expansion of the free energy. As a consequence, for the SU(N)$\times$ SU(M) Anderson impurity models the correct temperature dependence of the susceptibility is recovered over the entire temperature …
A comment about importance of Anderson's orthogonality catastrophe for projective Quantum Monte Carlo methods.
Multi-orbital quantum impurity models with general interaction and hybridization terms appear in a wide range of applications including embedding, quantum transport, and nanoscience. However, most quantum impurity solvers are restricted to a few impurity orbitals, discretized baths, diagonal hybridizations, or density-density interactions. Here, we generalize the inchworm quantum Monte Carlo method to the interaction expansion and explore its application to typical single- and multi-orbital problems encountered in investigations of impurity and lattice models. Our implementation generically ou…
We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix product states representation. We show that bond dimensions considerably smaller than the dimension of the Hilbert space are sufficient to obtain accurate results, and that this approach scales polynomially, rather than exponentially with the number of orbitals. Based on scaling analyses, we conclude that a matrix product state implementation will outperform the…
We develop a projective quantum Monte Carlo algorithm of the Hirsch-Fye type for obtaining ground state properties of the Anderson impurity model. This method is employed to solve the self-consistency equations of dynamical mean field theory. It is shown that the approach converges rapidly to the ground state so that reliable zero-temperature results are obtained. As a first application, we study the Mott-Hubbard metal-insulator transition of the one-band Hubbard model, reconfirming the numerical renormalization group results.
We develop a continuous-time quantum Monte Carlo method based on a strong-coupling expansion for Anderson impurity models with phonon-assisted hybridizations for arbitrary number of phonon modes. As a benchmark, we investigate the two-channel Anderson model with a single phonon, and numerically demonstrate that an SO(5) susceptibility composed of localized-electron charge and phonon-parity operators diverges logarithmically at the non-Fermi liquid critical point in the model, which verifies the predictions by the boundary conformal field theory[K. Hattori: Phys. Rev. B {\bf 85} (2012) 214411].
In the present paper, we present an efficient continuous-time quantum Monte Carlo impurity solver with high acceptance rate at low temperature for multi-orbital quantum impurity models with general interaction. In this hybridization expansion impurity solver, the imaginary time evolution operator for the high energy multiplets, which decays very rapidly with the imaginary time, is approximated by a probability normalized $δ$-function. As the result, the virtual charge fluctuations of $f^{n}\rightarrow f^{n\pm1}$ are well included on the same footing without applying Schrieffer-Wolff transforma…
Within the recently introduced auxiliary master equation approach it is possible to address steady state properties of strongly correlated impurity models, small molecules or clusters efficiently and with high accuracy. It is particularly suited for dynamical mean field theory in the nonequilibrium as well as in the equilibrium case. The method is based on the solution of an auxiliary open quantum system, which can be made quickly equivalent to the original impurity problem. In its first implementation a Krylov space method was employed. Here, we aim at extending the capabilities of the approa…
Since the inception of the dynamical mean-field theory, numerous numerical studies have relied on the Hirsch-Fye quantum Monte Carlo (HF-QMC) method for solving the associated impurity problem. Recently developed continuous-time algorithms (CT-QMC) avoid the Trotter discretization error and allow for faster configuration updates, which makes them candidates for replacing HF-QMC. We demonstrate, however, that a state-of-the-art implementation of HF-QMC (with extrapolation of discretization delta_tau -> 0) is competitive with CT-QMC. A quantitative analysis of Trotter errors in HF-QMC estimates …
We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new formulation motivated by the dynamical cluster approximation (DCA-DMET). Both methods are applied to the half-filled one- and two-dimensional Hubbard models using a sign-problem free auxiliary-field quantum Monte Carlo (AFQMC) impurity solver, which allows for the treatment of large impurity clusters of up to 100 sites. While CDMET is more accurate at smaller impurity cluster sizes, DCA- DMET exhibits faster asymptotic …
In our reply, we show that the objections put forward in cond-mat/0508763 concerning our paper, Phys. Rev. Lett. 93, 136405 (2004), are not valid: (i) There is no orthogonality catastrophe (OC) for our calculations, and it is also generally not ``unpractical'' to avoid it. (ii) The OC does not affect our results.
Generalized Spectral Decomposition for Quantum Impurity Problems
针对共享库阻碍多杂质系统量子杂质问题求解的难题，提出将共享库解耦为辅助库的广义谱分解策略，结合图论构建方案与近似算法，拓展了NRG的应用范围。
Mean Field Decoupling of Single Impurity Anderson Model through Auxiliary Majorana Fermions
本研究提出借助辅助Majorana费米子对单杂质Anderson模型进行平均场解耦的方法，揭示了零温平衡相变行为及不同淬灭条件下的时间演化规律，推测存在动力学相变分隔两种长时间行为区域。
Optimized measurements for the susceptibility, self-energy, as well as three-leg and four-leg vertex functions are introduced for the continuous-time hybridization expansion quantum Monte Carlo solver for the impurity model in presence of a retarded interaction. The self-energy and vertex functions are computed from impurity averages which involve time integrals over the retarded interaction. They can be evaluated efficiently within the segment representation. These quantities are computed within dynamical mean-field theory in presence of plasmonic screening. In the antiadiabatic regime, the s…
We present TRIQS/CTHYB, a state-of-the art open-source implementation of the continuous-time hybridisation expansion quantum impurity solver of the TRIQS package. This code is mainly designed to be used with the TRIQS library in order to solve the self-consistent quantum impurity problem in a multi-orbital dynamical mean field theory approach to strongly-correlated electrons, in particular in the context of realistic calculations. It is implemented in C++ for efficiency and is provided with a high-level Python interface. The code is ships with a new partitioning algorithm that divides the loca…
Dynamical Variational Monte Carlo as a quantum impurity solver: Application to Cluster Dynamical Mean-Field Theory
本文提出基于动力学变分蒙特卡洛（dVMC）的量子杂质求解器，利用其良好的系统尺寸标度处理更大团簇，并通过一维 Hubbard 模型的 CDMFT 计算验证其有效性。
Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly important role in the theory of "correlated electron" materials as auxiliary problems whose solution gives the "dynamical mean field" approximation to the self energy and local correlation functions. These applications require a method of solution which provides access to both high and low energy scales and is effective for wide classes of physically realistic mod…
We propose that a combination of the semiclassical approximation with Monte Carlo simulations can be an efficient and reliable impurity solver for dynamical mean field theory equations and their cluster extensions with large cluster sizes. In order to show the reliability of the method, we consider two test cases: (i) the single-band Hubbard model within the dynamical cluster approximation with 4- and 8-site clusters and (ii) the anisotropic two-orbital Hubbard model with orbitals of different band width within the single-site dynamical mean field theory. We compare our results with those obta…
We present a solver for correlated impurity problems out of equilibrium based on a combination of the so-called auxiliary master equation approach (AMEA) and the configuration interaction expansion. Within AMEA one maps the original impurity model onto an auxiliary open quantum system with a restricted number of bath sites which can be addressed by numerical many-body approaches such as Lanczos/Arnoldi exact diagonalization (ED) or matrix product states (MPS). While the mapping becomes exponentially more accurate with increasing number of bath sites, ED implementations are severely limited due…
In order to investigate the effects of nonmagnetic impurities in strongly correlated systems, Quantum Monte Carlo (QMC) simulations have been carried out for the doped two-dimensional Hubbard model with one nonmagnetic impurity. Using a bare impurity potential which is onsite and attractive, magnetic and single-particle properties have been calculated. The QMC results show that giant oscillations develop in the Knight shift response around the impurity site due to the short-range antiferromagnetic correlations. These results are useful for interpreting the NMR data on Li and Zn substituted lay…
Auxiliary master equation approach to the Anderson-Holstein impurity problem out of equilibrium
提出基于辅助主方程的方法求解非平衡安德森-霍尔斯坦模型，通过平移和旋转声子基优化计算，与数值重整化群验证一致，并研究声子峰随频率的演化。
The phaseless Auxiliary Field Quantum Monte Carlo method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we apply the method to the calculation of imaginary time correlation functions. We give a detailed description of the technique and we test the quality of the results for static and dynamic properties against exact values for small systems.
We present a numerical method for the study of correlated quantum impurity problems out of equilibrium, which is particularly suited to address steady state properties within Dynamical Mean Field Theory. The approach, recently introduced in [Arrigoni et al., Phys. Rev. Lett. 110, 086403 (2013)], is based upon a mapping of the original impurity problem onto an auxiliary open quantum system, consisting of the interacting impurity coupled to bath sites as well as to a Markovian environment. The dynamics of the auxiliary system is governed by a Lindblad master equation whose parameters are used to…
We extend the recently developed real-time Diagrammatic Monte Carlo method, in its hybridization expansion formulation, to the full Kadanoff-Baym-Keldysh contour. This allows us to study real-time dynamics in correlated impurity models starting from an arbitrary, even interacting, initial density matrix. As a proof of concept we apply the algorithm to study the non equilibrium dynamics after a local quantum quench in the Anderson Impurity Model. Being a completely general approach to real-time dynamics in quantum impurity models it can be used as a solver for Non Equilibrium Dynamical Mean Fie…
Within the ground-state auxiliary-field quantum Monte Carlo technique, we introduce discrete Hubbard-Stratonovich transformations (HSTs) that are suitable also for spatially inhomogeneous trial functions. The discrete auxiliary fields introduced here are coupled to local spin or charge operators fluctuating around their Hartree-Fock values. The formalism can be considered as a generalization of the discrete HSTs by Hirsch [J. E. Hirsch, Phys. Rev. B 28, 4059 (1983)] or a compactification of the shifted-contour auxiliary-field Monte Carlo formalism by Rom et al. [N. Rom et al., Chem. Phys. Lett…
Functional interpolation expansion for nonequilibrium correlated impurities
该研究在辅助主方程框架下提出泛函插值方法，利用近精确辅助库表示和少量库实现插值估计校正，以更低计算成本更高精度求解非平衡DMFT的关联杂质问题，在Anderson杂质模型和Hubbard模型上验证了其捕捉平衡态与长寿命光掺杂态的有效性。
Auxiliary field quantum Monte Carlo methods for Hubbard models are generally based on a Hubbard-Stratonovitch transformation where the field couples to the z-component of the spin. This transformation breaks SU(2) spin invariance. The symmetry is restored only after summation over the auxiliary fields. Here, we analyze an alternative decomposition, which conserves SU(2) spin invariance, but requires the use of complex numbers. We show that this algorithm gets rid of the very large fluctuations observed in imaginary time displaced correlation functions of quantities which do not commute with th…
We present a diagrammatic Monte Carlo method for quantum impurity problems with general interactions and general hybridization functions. Our method uses a recursive determinant scheme to sample diagrams for the scattering amplitude. Unlike in other methods for general impurity problems, an approximation of the continuous hybridization function by a finite number of bath states is not needed, and accessing low temperature does not incur an exponential cost. We test the method for the example of molecular systems, where we systematically vary temperature, interatomic distance, and basis set siz…
We study the impurity-induced phase transitions in a quasi-one-dimensional Heisenberg antiferromagnet doped with magnetic spin-1/2 impurities and non-magnetic ones. The impurity-induced transition temperature determined by the quantum Monte Carlo method with the continuous-time loop algorithm is monotonically increasing as a function of the magnitude of the impurity spin. To these results, we give discussions based on the valence-bond solid-like picture for the pure system and the inspection of the local magnetic structure around the impurities.
Diagrammatic Monte Carlo for Dissipative Quantum Impurity Models
提出一种针对耗散量子杂质模型实时动力学的图蒙特卡罗方法，在单一实时轮廓上对杂化展开采样，证明局部马尔可夫耗散能减轻符号问题以延长模拟时间，并应用于Anderson杂质模型分析退相干对电荷与自旋动力学的影响。
The calculation of imaginary time displaced correlation functions with the auxiliary field projector quantum Monte-Carlo algorithm provides valuable insight (such as spin and charge gaps) in the model under consideration. One of the authors and M. Imada [F.F. Assaad and M. Imada, J. Phys. Soc. Jpn. 65 189 (1996).] have proposed a numerically stable method to compute those quantities. Although precise this method is expensive in CPU time. Here, we present an alternative approach which is an order of magnitude quicker, just as precise, and very simple to implement. The method is based on the obs…
Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open source interacting quantum impurity solver toolkit (dubbed $i$QIST). This package contains several highly optimized quantum impurity solvers which are based on the hybridization expansion continuous-time q…
We present a quantum impurity solver based on a pseudo-particle framework, which combines diagrammatic resummations for a three-point vertex with diagrammatic Monte Carlo sampling of a four-point vertex. This recently proposed approach [A. J. Kim et al., arXiv:2112.15549] is generalized here to fermionic impurity problems and we discuss the technical details of the implementation, including the time-stepping approach, the Monte Carlo updates, and the routines for checking the two-particle irreducibility of the four-point vertex. We also explain how the vertex information can be efficiently sto…
We generalized the recently introduced new impurity solver based on the diagrammatic expansion around the atomic limit and Quantum Monte Carlo summation of the diagrams. We present generalization to the cluster of impurities, which is at the heart of the cluster Dynamical Mean-Field methods, and to realistic multiplet structure of a correlated atom, which will allow a high precision study of actinide and lanthanide based compounds with the combination of the Dynamical Mean-Field theory and band structure methods. The approach is applied to both, the two dimensional Hubbard and t-J model within…
The conductance of two Anderson impurity models, one with two-fold and another with four-fold degeneracy, representing two types of quantum dots, is calculated using a world-line quantum Monte Carlo (QMC) method. Extrapolation of the imaginary time QMC data to zero frequency yields the linear conductance, which is then compared to numerical renormalization group results in order to assess its accuracy. We find that the method gives excellent results at low temperature (T<Tk) throughout the mixed valence and Kondo regimes, but it is unreliable for higher temperature.
We propose a new sampling method to calculate the ground state of interacting quantum systems. This method, which we call the adaptive sampling quantum monte carlo (ASQMC) method utilises information from the high temperature density matrix derived from the monte carlo steps. With the ASQMC method, the negative sign ratio is greatly reduced and it becomes zero in the limit $Δτ$ goes to zero even without imposing any constraint such like the constraint path (CP) condition. Comparisons with numerical results obtained by using other methods are made and we find the ASQMC method gives accurate res…
Numerically exact continuous-time Quantum Monte Carlo algorithm for finite fermionic systems with non-local interactions is proposed. The scheme is particularly applicable for general multi-band time-dependent correlations since it does not invoke Hubbard-Stratonovich transformation. The present determinantal grand-canonical method is based on a stochastic series expansion for the partition function in the interaction representation. The results for the Green function and for the time-dependent susceptibility of multi-orbital super-symmetric impurity model with a spin-flip interaction are pres…
We develop a new smoothing or extrapolating method, based on discrete Laguerre functions, for systematically analyzing the stochastic signal of shifted-contour auxiliary-field Monte Carlo. We study the statistical errors and extrapolation errors using full configuration-interaction energies for the doubly stretched water molecule. The only free parameter is the order N of the fit. We show that low N emphasizes stability while higher N enable improved extrapolation, at the cost of increased statistical errors. Typically, one should use low order for signals based on a small number of iterations…
A Monte Carlo sampling of diagrammatic corrections to the non-crossing approximation is shown to provide numerically exact estimates of the long-time dynamics and steady state properties of nonequilibrium quantum impurity models. This `bold' expansion converges uniformly in time and significantly ameliorates the sign problem that has heretofore limited the power of real-time Monte Carlo approaches to strongly interacting real-time quantum problems. The new approach enables the study of previously intractable problems ranging from generic long time nonequilibrium transport characteristics in sy…
The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign problem on the single-particle basis. We explore both the hybridization-expansion and the interaction-expansion variants of continuous-time QMC for three-site and four-site impurity models with baths that are diagonal in the orbital degrees of freedom. We find that the sign problem in these models can be substantially reduced by using a non-trivial single-parti…
We present improvements of a recently introduced numerical method [Arrigoni etal, Phys. Rev. Lett. 110, 086403 (2013)] to compute steady state properties of strongly correlated electronic systems out of equilibrium. The method can be considered as a non-equilibrium generalization of exact diagonalization based dynamical mean-field theory (DMFT). The key modification for the non-equilibrium situation consists in addressing the DMFT impurity problem within an auxiliary system consisting of the correlated impurity, $N_b$ uncorrelated bath sites and two Markovian environments (sink and reservoir).…
We present a very efficient solver for the general Anderson impurity problem. It is based on the perturbation around a solution obtained from exact diagonalization using a small number of bath sites. We formulate a perturbation theory which is valid for both weak and strong coupling and interpolates between these limits. Good agreement with numerically exact quantum Monte-Carlo results is found for a single bath site over a wide range of parameters. In particular, the Kondo resonance in the intermediate coupling regime is well reproduced for a single bath site and the lowest order correction. …
Interacting single-level quantum dot connected to BCS superconducting leads represents a well-controllable system to study the interplay between the correlation effects and the electron pairing that can result in a $0-π$ (singlet-doublet) quantum phase transition. The physics of this system can be well described by the impurity Anderson model. We present an analysis of the statistics of the perturbation expansion order of the continuous-time hybridization expansion quantum Monte Carlo algorithm in the vicinity of such a first-order impurity quantum phase transition. By calculating the moments …
Calculations of the binding energy of the transition metal oxide molecules TiO and MnO are presented, using a recently developed phaseless auxiliary field quantum Monte Carlo approach. This method maps the interacting many-body problem onto a linear combination of non-interacting problems by a complex Hubbard-Stratonovich transformation, and controls the phase/sign problem with a phaseless approximation relying on a trial wave function. It employs random walks in Slater determinant space to project the ground state of the system, and allows use of much of the same machinery as in standard dens…
The question of Fermi liquid vs. non-Fermi liquid behavior induced by strong correlations is one of the prominent problems in metallic local moment systems. As standard models for such systems, the SU(N)xSU(M) Anderson impurity models exhibit both Fermi liquid and non-Fermi liquid behavior, depending on their symmetry. Taking the Anderson model as an example, these lectures first give an introduction to the auxiliary boson method to describe correlated systems governed by a strong, short-range electronic repulsion. It is then shown how to include the relevant low-lying excitations (coherent sp…
We present a 31P NMR study of the coupled spin 1/2 ladder compound BiCu2PO6. In the pure material, intrinsic susceptibility and dynamics show a spin gap of about . Substitution of non magnetic Zn or magnetic Ni impurity at Cu site induces a staggered magnetization which results in a broadening of the 31P NMR line, while susceptibility far from the defects is unaffected. The effect of Ni on the NMR line broadening is twice that of Zn, which is consistent with Quantum Monte Carlo (QMC) calculations assuming that Ni couples ferromagnetically to its adjacent Cu. The induced moment follows a 1/T te…
We describe an open-source implementation of the continuous-time hybridization-expansion quantum Monte Carlo method for impurity models with general instantaneous two-body interactions and complex hybridization functions. The code is built on the ALPS libraries (Applications and Libraries for Physics Simulations).
We address the computation of ground-state properties of chemical systems and realistic materials within the auxiliary-field quantum Monte Carlo method. The phase constraint to control the fermion phase problem requires the random walks in Slater determinant space to be open-ended with branching. This in turn makes it necessary to use back-propagation (BP) to compute averages and correlation functions of operators that do not commute with the Hamiltonian. Several BP schemes are investigated and their optimization with respect to the phaseless constraint is considered. We propose a modified BP …
Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen limited use in second-quantized QMC methods, particularly in projection methods that involve a stochastic evolution of the wave function in imaginary time. Here we propose a scheme for generating Jastrow-type correlated trial wave functions for auxiliary-field QMC methods. The method is based on decoupling the two-body Jastrow into one-body projectors coupled to…
We use two different methods, the Hirsch-Fye quantum Monte Carlo simulation and the slave-boson mean field analysis to estimate the effect of spin-orbit coupling on the Kondo temperature in a quantum wire. In quantum Monte Carlo simulation, we calculate the product of spin susceptibility and temperature for different spin-orbit couplings and impurity energies. The variation of the Kondo temperature is estimated via the low temperature universal curves. In the mean field analysis, the Kondo temperature is estimated as the condensation temperature of slave-boson. Both the two methods demonstrate…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory approach for the description of electronic structures of strongly correlated materials. The inversion of the $k \times k$ matrix given by the diagram expansion order $k$ in the CTQMC update and the multiplication of the $k \times k$ matrix and the non-interacting Green's function to measure the impurity Green's function are computationally time-consuming. Here…
We propose an out-of-equilibrium impurity model for the dynamical mean-field description of the Hubbard model driven by a finite electric field. The out-of-equilibrium impurity environment is represented by a collection of equilibrium reservoirs at different chemical potentials. We discuss the validity of the impurity model and propose a non-perturbative method, based on a quantum Monte Carlo solver, which provides the steady-state solutions of the impurity and original lattice problems. We discuss the relevance of this approach to other non-equilibrium steady-state contexts.
We consider the magnetic-field dependent spatial magnetization pattern around a general impurity embedded in a Heisenberg antiferromagnet using both an analytical and a numerical spin wave approach. The results are compared to quantum Monte Carlo simulations. The decay of the magnetization pattern away from the impurity follows a universal form which reflects the properties of the pure antiferromagnetic Heisenberg model. Only the overall magnitude of the induced magnetization depends also on the size of the impurity spin and the impurity coupling.
Tensor cross interpolation approach for quantum impurity problems based on the weak-coupling expansion
本文应用张量交叉插值（TCI）算法基于弱耦合展开高精度求解量子杂质问题，该方法通过分解高维积分避免符号问题并直接计算自由能，结合动力学平均场理论准确描述了Hubbard模型的金属到Mott绝缘体转变。
We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson model coupled to a Holstein phonon as a schematic model for a molecular transistor. We compute the density of states at the impurity in a large range of parameters, to demonstrate the accuracy and efficiency of the method. We also obtain the conductance of the impurity model and analyze different regimes. The results show that even in the case when the effe…
We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary Hamiltonian, for which the Green function is computed by combining determinantal quantum Monte Carlo (BSS-QMC) calculations with a multigrid extrapolation procedure. The method is numerically exact, i.e., yields results which are free of significant Trotter errors, but retains the BSS advantage, compared to direct QMC impurity solvers, of linear (instead of cubi…
Motivated by recent Monte-Carlo simulations of Hoglund and Sandvik (arXiv:0808.0408), we study edge response in square lattice quantum antiferromagnets. We use the O(3) non-linear sigma-model to compute the decay asymptotics of the staggered magnetization, energy density and local magnetic susceptibility away from the edge. We find that the total edge susceptibility is negative and diverges logarithmically as the temperature vanishes. We confirm the predictions of the continuum theory by performing a 1/S expansion of the microscopic Heisenberg model with the edge. We propose a qualitative expl…
The nonequilibrium spectral properties of the Anderson impurity model with a chemical potential bias are investigated within a numerically exact real time quantum Monte Carlo formalism. The two-time correlation function is computed in a form suitable for nonequilibrium dynamical mean field calculations. Additionally, the evolution of the model's spectral properties are simulated in an alternative representation, defined by a hypothetical but experimentally realizable weakly coupled auxiliary lead. The voltage splitting of the Kondo peak is confirmed and the dynamics of its formation after a co…
We analyze the spectral function of the single-impurity two-terminal Anderson model at finite voltage using the recently developed diagrammatic quantum Monte Carlo technique as well as perturbation theory. In the (particle-hole-)symmetric case we find an excellent agreement of the numerical data with the perturbative results of second order up to interaction strengths $U/Γ\approx 2$, where $Γ$ is the transparency of the impurity-electrode interface. The analytical results are obtained in form of the nonequilibrium self-energy for which we present explicit formulas in the closed form at arbitra…
扫码添加微信好友，提出您的宝贵建议 👇
💡 备注请填写：网站反馈
发表机构由 AI 从论文文本抽取，如发现错误，欢迎反馈修正建议。