We systematically generate the perturbative expansion for the two-particle spin susceptibility in the Feynman diagrammatic formalism and apply this expansion to a model system - the single-band Hubbard model on a square lattice. We make use of algorithmic Matsubara integration (AMI) [A. Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlanc, Phys. Rev. B 99, 035120 (2019)] to analytically evaluate Matsubara frequency summations, allowing us to symbolically impose analytic continuation to the real frequency axis. We minimize our computational expense by applying graph invariant transformations [Amir Taheridehkordi, S. H. Curnoe, and J. P. F. LeBlanc, Phys. Rev. B 101, 125109 (2020)]. We highlight extensions of the random-phase approximation and T-matrix methods that, due to AMI, become tractable. We present results for weak interaction strength where the direct perturbative expansion is convergent, and verify our results on the Matsubara axis by comparison to other numerical methods. By examining the spin susceptibility as a function of real-frequency via an order-by-order expansion we can identify precisely what role higher order corrections play on spin susceptibility and demonstrate the utility and limitations of our approach.
Vertex functions are a crucial ingredient of several forefront many-body algorithms in condensed matter physics. However, the full treatment of their frequency and momentum dependence severely restricts numerical calculations. A significant advancement requires an efficient treatment of the high-frequency asymptotic behavior of the vertex functions. In this work, we first provide a detailed diagrammatic analysis of the high-frequency structures and their physical interpretation. Based on these insights, we propose a parametrization scheme, which captures the whole high-frequency domain for arb…
Using fermionic representation of spin degrees of freedom within the Popov-Fedotov approach we develop an algorithm for Monte Carlo sampling of skeleton Feynman diagrams for Heisenberg type models. Our scheme works without modifications for any dimension of space, lattice geometry, and interaction range, i.e. it is suitable for dealing with frustrated magnetic systems at finite temperature. As a practical application we compute uniform magnetic susceptibility of the antiferromagnetic Heisenberg model on the triangular lattice and compare our results with the best available high-temperature exp…
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…
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 general method to optimize the evaluation of Feynman diagrammatic expansions, which requires the automated symbolic assignment of momentum/energy conserving variables to each diagram. With this symbolic representation, we utilize the pole structure of each diagram to automatically sort the Feynman diagrams into groups that are likely to contain nearly equal or nearly cancelling diagrams, and we show that for some systems this cancellation is exact. This allows for a potentially massive cancellation during the numerical integration of internal momenta variables, leading to an optim…
Based on the non-skeleton diagrammatic expansion satisfying the compressibility and spin-susceptibility sum rules, we investigate static charge and spin responses in a two-dimensional extended Hubbard model with the nearest-neighbor Coulomb repulsion in the vicinity of its charge-ordering transition point. In this expansion, we can calculate approximate charge and spin response functions by systematic inclusion of vertex corrections, from which we obtain the uniform susceptibility equal to the so-called q-limit of the response function and the second-order transition point as a divergent point…
We present an algorithm to evaluate Matsubara sums for Feynman diagrams comprised of bare Green's functions with single-band dispersions with local U Hubbard interaction vertices. The algorithm provides an exact construction of the analytic result for the frequency integrals of a diagram that can then be evaluated for all parameters $U$, temperature $T$, chemical potential $μ$, external frequencies and internal/external momenta. This method allows for symbolic analytic continuation of results to the real frequency axis, avoiding any ill-posed numerical procedure. When combined with diagrammati…
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…
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…
The dynamical spin susceptibility chi'' at wave vector (pi, pi) and the spectrum pi'' of the spin-triplet particle--particle excitation with center of mass momentum (pi, pi) (pi-excitation) are considered in the slave-boson formulation of the t--J-model. Propagators are calculated in a diagrammatic t-matrix approximation in the d-wave superconducting state for a wide doping range. The resulting spectra chi'' and pi'' both show a resonance at a doping dependent energy, in qualitative agreement with recent numerical cluster calculations. In underdoped systems, the peak position is comparable to …
In the framework of the diagrammatic method with self-consistent field, the maximum on the temperature dependence of the susceptibility of a weakly doped narrow-band Hubbard magnet below the Curie temperature $T_{\rm C}$ is predicted. By numerical calculations, it is proved that it appears at small hole concentrations $n_{h}$. In this case, the temperature dependence of the magnetization $M$($T$) has a typical Fermi-like shape with the point of inflection at a temperature $T_{\rm inf}$. The approximate solution of the system of equations for the mean spin and the chemical potential gives the S…
Although diagrammatic perturbation theory fails for the dynamical-mean field theory of the double-exchange model, the theory is nevertheless Phi-derivable and hence thermodynamically consistent, meaning that the same thermodynamic properties are obtained from either the partition function or the Green's function. We verify this consistency by evaluating the magnetic susceptibility and Curie temperature for any Hund's coupling.
Dynamical properties of the impurity spin-$\frac12$ in 2D and quasi-2D Heisenberg antiferromagnets (AFs) at $T\ge0$ are discussed. The specific case of an impurity coupled symmetrically to two neighboring host spins is considered. The specific feature of this problem is that the defect is degenerate (frustrated) being located in zero molecular field. It is shown that this problem can be described by spin-boson model without tunneling term and with a more complex interaction. We demonstrate that the effect of the host system on the defect is completely described by the spectral function. It is …
Charge order in cuprate superconductors is a possible source of anomalous electronic properties in the underdoped regime. Intra-unit cell charge ordering tendencies point to electronic nematic order involving oxygen orbitals. In this context we investigate charge instabilities in the Emery model and calculate the charge susceptibility within diagrammatic perturbation theory. In this approach, the onset of charge order is signalled by a divergence of the susceptibility. Our calculations reveal three different kinds of order: a commensurate ($q=0$) nematic order, and two incommensurate nematic p…
Functional renormalization group (FRG) has become a diverse and powerful tool to derive effective low-energy scattering vertices of interacting many-body systems. Starting from a non-interacting expansion point of the action, the flow of the RG parameter Lambda allows to trace the evolution of the effective one-particle and two-particle vertices towards low energies by taking into account the vertex corrections between all parquet channels in an unbiased fashion. In this work, we generalize the expansion point at which the diagrammatic resummation procedure is initiated from a free UV limit to…
