I derive a dual description of lattice fermions, specifically focusing on the t-J and Hubbard models, that allow diagrammatic techniques to be employed efficiently in the strongly correlated regime, as well as for systems with a restricted Hilbert space. These constructions are based on spin-charge transformation, where the lattice fermions of the original model are mapped onto spins and spin-less fermions. This mapping can then be combined with Popov-Fedotov fermionisation, where the spins are mapped onto lattice fermions with imaginary chemical potential. The resulting models do not contain any large expansion parameters, even for strongly correlated systems. Also, they exhibit dramatically smaller corrections to the density matrix from nonlinear terms in the Hamiltonian. The combination of these two properties means that they can be addressed with diagrammatic methods, including simulation techniques based on stochastic sampling of diagrammatic expansions.
We show that Monte Carlo sampling of the Feynman diagrammatic series (DiagMC) can be used for tackling hard fermionic quantum many-body problems in the thermodynamic limit by presenting accurate results for the repulsive Hubbard model in the correlated Fermi liquid regime. Sampling Feynman's diagrammatic series for the single-particle self-energy we can study moderate values of the on-site repulsion ($U/t \sim 4$) and temperatures down to $T/t=1/40$. We compare our results with high temperature series expansion and with single-site and cluster dynamical mean-field theory.
We study the low-temperature behavior of a magnetic impurity which is weakly coupled to correlated conduction electrons. To account for conduction electron interactions a diagrammatic approach in the frame of the 1/N expansion is developed. The method allows us to study various consequences of the conduction electron correlations for the ground state and the low-energy excitations. We analyse the characteristic energy scale in the limit of weak conduction electron interactions. Results are reported for static properties (impurity valence, charge susceptibility, magnetic susceptibility, and spe…
We describe a controllable and unbiased strong-coupling diagrammatic Monte Carlo technique that is applicable to a wide range of fermionic systems and spin models. Unlike previous strong coupling methods that generally rely on the Grassmannian Hubbard-Stratonovich transformation, our construction is based on Wick's theorem and a recursive procedure to group contractions into effective connected vertices that are non-perturbative in all local physics and can be calculated exactly. The resulting expansion is described by simple diagrammatic rules that make it suitable for systematic treatment vi…
Self-consistent dynamical approximations for strongly correlated fermion systems are particularly successful in capturing the dynamical competition of local correlations. In these, the effect of spatially extended degrees of freedom is usually only taken into account in a mean field fashion or as a secondary effect. As a result, critical exponents associated with phase transitions have mean field character. Here, we demonstrate that diagrammatic multi-scale methods anchored around local approximations are indeed capable of capturing the non mean-field nature of the critical point of the lattic…
The diagrammatic theory is proposed for the strongly correlated impurity Anderson model. The strongly correlated impurity electrons are hybridized with free conduction electrons. For this system the new diagrammatic approach is formulated. The linked cluster theorem for vacuum diagrams is proved and the Dyson type equations for electron propagators of both electron subsystems are established, together with such equations for mixed propagators. The approximations based on the summing the infinite series of diagrams are proposed, which close the system of equations and permit the investigation o…
The optical conductivity contains relevant information on the properties of correlated electron systems. In infinite dimensions, where dynamical mean field theory becomes exact, vertex corrections can be neglected and the conductivity computed from particle-hole bubbles. An interesting question concerns the nature and effect of the most relevant vertex corrections in finite-dimensional systems. A recent numerical study showed that the dominant vertex correction near an ordering instability with wave vector π comes from a vertical ladder, analogous to the Maki-Thompson diagram. Since the RPA ve…
The recently developed theory of extremely correlated Fermi liquids (ECFL), applicable to models involving the physics of Gutzwiller projected electrons, shows considerable promise in understanding the phenomena displayed by the $t$-$J$ model. Its formal equations for the Greens function are reformulated by a new procedure that is intuitively close to that used in the usual Feynman-Dyson theory. We provide a systematic procedure by which one can draw diagrams for the $λ$-expansion of the ECFL introduced in Ref. (9), where the parameter $λ\in (0,1)$ counts the order of the terms. In contrast to…
We present recent advances in understanding of the ground and excited states of the electron-phonon coupled systems obtained by novel methods of Diagrammatic Monte Carlo and Stochastic Optimization, which enable the approximation-free calculation of Matsubara Green function in imaginary times and perform unbiased analytic continuation to real frequencies. We present exact numeric results on the ground state properties, Lehmann spectral function and optical conductivity of different strongly correlated systems: Frohlich polaron, Rashba-Pekar exciton-polaron, pseudo Jahn-Teller polaron, exciton,…
A Diagrammatic Route to Multi-Reference GW for Strongly Correlated Molecules
Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University（北京师范大学化学学院理论计算光化学教育部重点实验室）；Institute for Advanced Study, Beijing Normal University（北京师范大学高等研究院）
We analyze behavior of correlated electrons described by Hubbard-like models at intermediate and strong coupling. We show that with increasing interaction a pole in a generic two-particle Green function is approached. The pole signals metal-insulator transition at half filling and gives rise to a new vanishing ``Kondo'' scale causing breakdown of weak-coupling perturbation theory. To describe the critical behavior at the metal-insulator transition a novel, self-consistent diagrammatic technique with two-particle Green functions is developed. The theory is based on the linked-cluster expansion …
We propose a systematic approach to the systems of correlated electrons, the so-called $\mathbf{k}$-DE-GWF method, based on reciprocal-space ($\mathbf{k}$-resolved) diagrammatic expansion of the variational Gutzwiller-type wave function for parametrized models of correlated fermions. The present approach, in contrast to either variational Monte-Carlo (VMC), or the recently developed real-space diagrammatic expansion of the Gutzwiller-type wave function (direct-space DE-GWF technique), is applicable directly in the thermodynamic limit and thus is suitable for describing selected singular featur…
We demonstrate, by considering the triangular lattice spin-1/2 Heisenberg model, that Monte Carlo sampling of skeleton Feynman diagrams within the fermionization framework offers a universal first-principles tool for strongly correlated lattice quantum systems. We observe the fermionic sign blessing---cancellation of higher order diagrams leading to a finite convergence radius of the series. We calculate the magnetic susceptibility of the triangular-lattice quantum antiferromagnet in the correlated paramagnet regime and reveal a surprisingly accurate microscopic correspondence with its classic…
Using a dual representation of lattice fermion models that is based on spin-charge transformation and fermionisation of the original description, I derive an algorithm for diagrammatic Monte Carlo simulation of strongly correlated systems. This scheme allows eliminating large expansion parameters, as well as large corrections to the density matrix that generally prevent diagrammatic methods from being efficient in this regime. As an example, I compute the filling factor for the Hubbard model at infinite onsite repulsion and compare the results to controllable data obtained from Numerical Linke…
A diagrammatic theory around the atomic limit is proposed for the single-impurity Anderson model in which the strongly correlated impurity electrons hybridize with free (uncorrelated) conduction electrons. Using this diagrammatic approach, we prove the existence of a linked cluster theorem for the vacuum diagrams and derive Dyson type of equations for the localized and conduction electrons and corresponding equations for the mixed propagators. The system of equations can be closed by summing the infinite series of ladder diagrams containing irreducible Green's functions. The result allows to d…
Using gauge transformations on electron bond operators, we derive exact duality relations between various order parameters for correlated electron systems. Applying these transformations, we find two duality relations in the generalized two-leg Hubbard ladder at arbitrary filling. The relations show that unconventional density-wave orders such as staggered flux or circulating spin-current are dual to conventional density-wave orders and there are direct mappings between dual phases. Several exact results on the phase diagram are also concluded.
We present a microscopic examination for the itinerant-localized duality model which has been proposed to understand anomalous properties of strongly correlated systems like the heavy fermions by Kuramoto and Miyake, and also useful to describe the anomalous properties of the high-Tc cupurates. We show that the thermodynamic potential of the strongly interacting Hubbard model can be rearranged in the form of duality model on the basis of renormalized perturbation expansion of the Luttinger-Ward functional if the one-particle spectral weight exhibits triple peak structure. We also examine the i…
We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong coupling regime of the half-filled Hubbard model in two dimensions, illustrating that the method converges quickly where dynamical mean field theory is a good approximation, and show that corrections are large in the strong correlation regime at intermediate interaction. The fast convergence of dual corrections to dynamical mean field results illustrates the…
We review a recently developed method, based on a pseudoparticle representation of correlated electrons, to describe both Fermi liquid and non-Fermi liquid behavior in quantum impurity systems. The role of the projection onto the physical Hilbert space and the impossibility of slave boson condensation are discussed. By summing the leading coherent spin and charge fluctuation processes in a fully self-consistent and gauge invariant way one obtains the correct infrared behavior of the pseudoparticles. The temperature dependence of the spin susceptibility for the single channel and two-channel An…
We present a development of strong-coupling diagrammatic techniques which relies on integrating out mean-field-like paths prior to conducting the expansion. This makes it possible to expand around a state with a quasiparticle spectrum that takes into account all kinetic effects that do not explicitly depend on nonlocal correlations. These paths contribute most of the kinetic energy in correlated systems, and so this protocol provides a starting point for the expansion that more closely resembles the full theory. Comparisons to existing exact results clearly confirm this.
Recently, as demonstrated by an antiferromagnetic spin-lattice application, we have successfully extended the coupled-cluster method (CCM) to a variational formalism in which two sets of distribution functions are introduced to evaluate Hamiltonian expectation. We calculated these distribution functions by employing an algebraic scheme. Here we present an alternative calculation based on a diagrammatic technique. Similar to the method of correlated-basis functionals (CBF), a generating functional is introduced and calculated by a linked-cluster expansion in terms of diagrams which are categori…
A numerically implementable Multi-scale Many-Body approach to strongly correlated electron systems is introduced. An extension to quantum cluster methods, it approximates correlations on any given length-scale commensurate with the strength of the correlations on the respective scale. Short length-scales are treated explicitly, long ones are addressed at a mean-field level and intermediate length-regime correlations are assumed to be weak and are approximated diagrammatically. To illustrate and test this method, we apply it to the one dimensional Hubbard model. The resulting multi-scale self-e…
We develop a numerically exact method for the summation of irreducible Feynman diagrams for fermionic self-energy in the thermodynamic limit. The technique, based on the Diagrammatic Determinant Monte Carlo and its recent extension to connected diagrams, allows us to reach high ($\sim 10$) orders of the weak-coupling expansion for the self-energy of the two-dimensional Hubbard model. Access to high orders reveals a non-trivial analytic structure of the self-energy and enables its controlled reconstruction with arbitrary momentum resolution in the nonperturbative regime of essentially strong co…
The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations, however, neglect higher-order interaction vertices beyond two-particle scattering in the dual effective action and further truncate the diagrammatic expansion in the two-particle scattering vertex to a leading-order or ladder-type approximation. In this work we compute the dual-fermion expansion for the two-dimensional Hubbard model including all diagram topolog…
The Anderson model of a twofold spin degenerate impurity level in the limit of infinite Coulomb repulsion, $U \to \infty$, coupled to one and two degenerate conduction bands or channels, is considered in pseudo-particle representation. We extend the Conserving T-Matrix Approximation (CTMA), a general diagrammatic approximation scheme based on a fully renormalized computation of two-particle vertex functions in the spin and in the charge channel, to the calculation of thermodynamic and spectral properties. In the single-channel case, the CTMA yields in the Kondo regime a temperature independent…
Magnon self energy due to spin-charge coupling is calculated for the correlated ferromagnetic Kondo lattice model using a diagrammatic expansion scheme. Systematically incorporating correlation effects in the form of self-energy and vertex corrections, the expansion scheme explicitly preserves the continuous spin rotation symmetry and hence the Goldstone mode. Due to a near cancellation of the correlation-induced quantum correction terms at intermediate coupling and optimal band filling relevant for ferromagnetic manganites, the renormalized magnon energies for the correlated FKLM are nearly i…
We describe a general recipe for constructing Metropolis updates for Diagrammatic Monte-Carlo (DiagMC) algorithms, based on the Schwinger-Dyson equations in quantum field theory. This approach bypasses explicit duality transformations, enumeration or classification of diagrams and can be used for lattice quantum field theories with unknown or complicated dual representations (such as non-Abelian lattice gauge theories). DiagMC algorithms constructed in this way can still be plagued by the sign problem, which is, however, completely different from the sign problem in conventional Monte-Carlo si…
A Unified Approach to Strong Local Correlations and Collective Fluctuations: Eliminating Divergence in the Spin Channel
Russian Quantum Center（俄罗斯量子中心）；Moscow Center for Advanced Studies（莫斯科高等研究中心）；Institut für Theoretische Physik, Universität Hamburg（汉堡大学理论物理研究所）；M.V. Lomonosov Moscow State University（莫斯科国立罗蒙诺索夫大学）
Starting from the (Hubbard) model of an atom, we demonstrate that the uniqueness of the mapping from the interacting to the noninteracting Green's function, $G\to G_0$, is strongly violated, by providing numerous explicit examples of different $G_0$ leading to the same physical $G$. We argue that there are indeed infinitely many such $G_0$, with numerous crossings with the physical solution. We show that this rich functional structure is directly related to the divergence of certain classes of (irreducible vertex) diagrams, with important consequences for traditional many-body physics based on…
We have designed a new multi-scale approach for Strongly Correlated Systems by combining the Dynamical Cluster Approximation (DCA) and the recently introduced dual-fermion formalism. This approach employs an exact mapping from a real lattice to a DCA cluster of linear size Lc embedded in a dual fermion lattice. Short-length-scale physics is addressed by the DCA cluster calculation, while longer-length-scale physics is addressed diagrammatically using dual fermions. The bare and dressed dual Fermionic Green functions scale as O(1/Lc) so perturbation theory on the dual lattice converges very qui…
We present a purely diagrammatic derivation of the dual fermion scheme [Phys. Rev. B 77 (2008) 033101]. The derivation makes particularly clear that a similar scheme can be developed for an arbitrary reference system provided it has the same interaction term as the original system. Thereby no restrictions are imposed by the locality of the reference problem or by the nature of the original problem as a lattice one. We present new arguments in favour of keeping the dual denominator in the expression for the lattice self-energy independently of the truncation of the dual interaction. As an examp…
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 m…
We describe a new path integral approach to strongly correlated fermion systems, considering the Hubbard model as a specific example. Our approach is based on the introduction of spin-particle-hole coherent states which generalize the spin-1/2 coherent states by allowing the creation of a hole or an additional particle. The action of the fermion system $S[γ^*,γ;{\bfΩ}]$ can be expressed as a function of two Grassmann variables ($γ_\uparrow$,$γ_\downarrow$) describing particles propagating in the lower and upper Hubbard bands, and a unit vector field ${\bfΩ}$ whose dynamics arises from spin flu…
The Jordan-Wigner transformation establishes a duality between $su(2)$ and fermionic algebras. We present qualitative arguments and numerical evidence that when mapping spins to fermions, the transformation makes strong correlation weaker, as demonstrated by the Hartree-Fock approximation to the transformed Hamiltonian. This result can be rationalized in terms of rank reduction of spin shift terms when transformed to fermions. Conversely, the mapping of fermions to qubits makes strong correlation stronger, complicating its solution when one uses qubit-based correlators. The presence of string …
We review two analytical approaches in Dynamical Mean-Field Theory (DMFT) based on a perturbation theory expansion over the electron hopping to and from the self consistent environment. In the first approach the effective single impurity Anderson model (SIAM) is formulated in terms of the auxiliary Fermi-fields and the projection (irreducible Green's function) technique is used for its solution. A system of the DMFT equations is obtained that includes as simple specific cases a number of known approximations (Hubbard-III, AA, MAA, ...). The second approach is based on the diagrammatic techniqu…
We review recent studies for superconductivity using diagrammatic extensions of dynamical mean field theory. These approaches take into account simultaneously both, the local correlation effect and spatial long-range fluctuations, which are essential to describe unconventional superconductivity in a quasi-two-dimensional plane. The results reproduce and predict the experimental phase diagrams of strongly correlated system such as cuprates and nickelates. Further studies reveal that the dynamical screening effect of the pairing interaction vertex has dramatic consequences for the transition tem…
Infinite projected entangled pair states (iPEPS) have emerged as a powerful tool for studying interacting two-dimensional fermionic systems. In this review, we discuss the iPEPS construction and some basic properties of this tensor network (TN) ansatz. Special focus is put on (i) a gentle introduction of the diagrammatic TN representations forming the basis for deriving the complex numerical algorithm, and (ii) the technical advance of fully exploiting non-abelian symmetries for fermionic iPEPS treatments of multi-band lattice models. The exploitation of non-abelian symmetries substantially in…
These are notes from my lectures at TASI 2015. The goal is to provide context for the study of strongly-correlated quantum many-body systems using quantum field theory, and possibly string theory.
A perturbation theory scheme in terms of electron hopping, which is based on the Wick theorem for Hubbard operators, is developed. Diagrammatic series contain single-site vertices connected by hopping lines and it is shown that for each vertex the problem splits into the subspaces with ``vacuum states'' determined by the diagonal Hubbard operators and only excitations around these vacuum states are allowed. The rules to construct diagrams are proposed. In the limit of infinite spatial dimensions the total auxiliary single-site problem exactly splits into subspaces that allows to build an analy…
A general scheme to calculate dynamical susceptibilities of strongly correlated electron systems within the dynamical mean field theory is developed. Approach is based on an expansion over electron hopping around the atomic limit (within the diagrammatic technique for site operators: projection and Hubbard ones) in infinite dimensions. As an example, the Falicov-Kimball and simplified pseudospin-electron models are considered for which an analytical expressions for dynamical susceptibilities are obtained.
A general scheme to calculate dynamical susceptibilities of strongly correlated electron systems within the dynamical mean field theory is developed. Approach is based on an expansion over electron hopping around the atomic limit (within the diagrammatic technique for site operators: projection and Hubbard ones) in infinite dimensions. As an example, the Falicov-Kimball and simplified pseudospin-electron models are considered for which an analytical expressions for dynamical susceptibilities are obtained.
We develop a simple diagrammatic low-energy boson exchange strong-coupling model for an antiferromagnetically correlated polaronic metal. Important low-temperature features of such a model are (i) a large polaronic mass enhancement $Z$ and a strongly narrowed, low-energy, near-Fermi-level van Hove resonance peak in the interacting density of states at temperatures $T$ well below the lattice tunneling energy scale $Ω_t$; (ii) a rapid thermal suppression of $Z$ and of the van Hove resonance which occurs when the temperature $T$ becomes comparable to the lattice tunneling excitation energy scale …
We use a Luttinger-Ward functional approach to study the problem of phonon-mediated superconductivity in electron systems with strong electron-electron interactions (EEIs). Our derivation does not rely on an expansion in skeleton diagrams for the EEI and the resulting theory is therefore nonperturbative in the strength of the latter. We show that one of the building blocks of the theory is the irreducible six-leg vertex related to EEIs. Diagrammatically, this implies five contributions (one of the Fock and four of the Hartree type) to the electronic self-energy, which, to the best of our knowl…
We discuss duality relations in correlated electronic ladder systems to clarify mutual relations between various conventional and unconventional phases. For the generalized two-leg Hubbard ladder, we find two exact duality relations, and also one asymptotic relation which holds in the low-energy regime. These duality relations show that unconventional (exotic) density-wave orders such as staggered flux or circulating spin-current are directly mapped to conventional density-wave orders, which establishes the appearance of various exotic states with time-reversal and/or spin symmetry breaking. W…
Holographic duality conjecture has been proposed to be a novel non-perturbative theoretical framework for the description of strongly correlated electrons. However, the duality transformation is not specified to cause ambiguity in the application of this theoretical machinery to condensed matter physics. In this study, we propose a prescription for the holographic duality transformation. Based on recursive renormalization group (RG) transformations, we obtain an effective field theory, which manifests the RG flow of an effective action through the introduction of an extra dimension. Resorting …
The strongly-correlated regime of the BCS-BEC crossover can be realized by diluting a system of two-component fermions with a short-range attractive interaction. We investigate this system via a novel continuous-space-time diagrammatic determinant Monte Carlo method and determine the universal curve $T_c/ε_F$ for the transition temperature between the normal and the superfluid states as a function of the scattering length with the maximum on the BEC side. At unitarity, we confirm that $T_c/ε_F = 0.152(7)$.
Applying Feynman diagrammatics to non-fermionic strongly correlated models with local constraints might seem generically impossible for two separate reasons: (i) the necessity to have a Gaussian (non-interacting) limit on top of which the perturbative diagrammatic expansion is generated by Wick's theorem, and (ii) the Dyson's collapse argument implying that the expansion in powers of coupling constant is divergent. We show that for arbitrary classical lattice models both problems can be solved/circumvented by reformulating the high-temperature expansion (more generally, any discrete representa…
