本文扩展连通 Feynman 图求和的动态规划方法，支持更多顶点与两类 SU(N) 对称破缺，并给出独立的端到端 CUDA GPU 加速及数值稳定性修复。
摘要：
Diagrammatic Monte Carlo 方法为在热力学极限下精确计算关联电子系统提供了稳健流程。最近，其适用性被扩展到 SU(N) Hubbard 模型，核心是一种用于求和所有连通 Feynman 图的新型动态规划方法。我们提出了该方法的若干推广，使其支持更多相互作用顶点和对称破缺项。该框架同时处理两类 SU(N) 对称破缺：一类来自非均匀且依赖味的化学势，另一类来自由位移参数诱导的自发破缺相。我们还提供了一条端到端 GPU 加速路径，采用专门的 CUDA C++ 优化，独立于此前的 CUDA 加速方法，并且并行化策略不同。我们对本文涉及的新算法进行了详细数值研究，揭示了连通行列式形式体系的数值不稳定性，并通过多种方式加以解决。总体而言，这些进展为具有或不具有对称破缺的多味关联系统建立了一个可扩展、高性能的 DiagMC 工具箱。
英文摘要：
We extend combinatorial summation (CoS) of connected Feynman diagrams to Hubbard mod- els with flavor-dependent propagators and counterterm shifts. The construction combines an interaction-occupancy mask with labels for the open fermion cycle, allowing equivalent endpoint his- tories to be accumulated while retaining the flavor and sublattice information needed by subsequent contractions. In the flavor-dependent version, denoted symmetry-broken CoS (SB-CoS), normal heads carry the cycle flavor and counterterm heads inherit the flavor at their interaction partner. We prove the correctness of the resulting recurrence and introduce terminal readouts that return all nonempty interaction-subset values from a shared circuit, as required by a many-configuration Markov-chain sampler. For three flavors, a second formulation uses determinant polynomials and a local interaction tensor, with connected coefficients extracted by subset recursion or Fourier interpo- lation and a support sieve. Applications to the two-spin honeycomb and three-flavor square-lattice Hubbard models illustrate the treatment of sublattice structure and non-uniform reference shifts.
We introduce a method for summing Feynman's perturbation series based on diagrammatic Monte Carlo that significantly improves its convergence properties. This allows us to investigate in a controllable manner the pseudogap regime of the Hubbard model and to study the nodal/antinodal dichotomy at low doping and intermediate coupling. Marked differences from the weak coupling scenario are manifest, such as a higher degree of incoherence at the antinodes than at the `hot spots'. Our results show that the pseudogap and reduction of quasiparticle coherence at the antinode is due to antiferromagneti…
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 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…
We present a simple trick that allows to consider the sum of all connected Feynman diagrams at fixed position of interaction vertices for general fermionic models. With our approach one achieves superior performance compared to Diagrammatic Monte Carlo, while rendering the algorithmic part dramatically simpler. As we consider the sum of all connected diagrams at once, we allow for cancellations between diagrams with different signs, alleviating the sign problem. Moreover, the complexity of the calculation grows exponentially with the order of the expansion, which should be constrasted with the…
The major obstacle preventing Feynman diagrammatic expansions from accurately solving many-fermion systems in strongly correlated regimes is the series slow convergence or divergence problem. Several techniques have been proposed to address this issue: series resummation by conformal mapping, changing the nature of the starting point of the expansion by shifted action tools, and applying the homotopy analysis method to the Dyson-Schwinger equation. They emerge as dissimilar mathematical procedures aimed at different aspects of the problem. The proposed homotopic action offers a universal and s…
We use tensor network techniques to obtain high order perturbative diagrammatic expansions for the quantum many-body problem at very high precision. The approach is based on a tensor train parsimonious representation of the sum of all Feynman diagrams, obtained in a controlled and accurate way with the tensor cross interpolation algorithm. It yields the full time evolution of physical quantities in the presence of any arbitrary time dependent interaction. Our benchmarks on the Anderson quantum impurity problem, within the real time non-equilibrium Schwinger-Keldysh formalism, demonstrate that …
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…
We express the recently introduced real-time diagrammatic Quantum Monte Carlo, Phys. Rev. B 91, 245154 (2015), in the Larkin-Ovchinnikov basis in Keldysh space. Based on a perturbation expansion in the local interaction $U$, the special form of the interaction vertex allows to write diagrammatic rules in which vacuum Feynman diagrams directly vanish. This reproduces the main property of the previous algorithm, without the cost of the exponential sum over Keldysh indices. In an importance sampling procedure, this implies that only interaction times in the vicinity of the measurement time contri…
Diagrammatic Monte Carlo -- the technique for numerically exact summation of all Feynman diagrams to high orders -- offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the diagrammatic series is bound to diverge and is not resummable at the transition due to the non-analyticity of physical observables. This enables the detection of the transition with controlled error bars from an analysis of the series coefficients alone, avoiding the challenge of evaluating physical observables near the transition. We demonstrate this techniqu…
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…
For some models of interacting fermions the known solution to the notorious sign-problem in Monte Carlo (MC) simulations is to work with macroscopic fermionic determinants; the price, however, is a macroscopic scaling of the numerical effort spent on elementary local updates. We find that the {\it ratio} of two macroscopic determinants can be found with any desired accuracy by considering truncated (local in space and time) matices. In this respect, MC for interacting fermionic systems becomes similar to that for the sign-problem-free bosonic systems with system-size independent update cost. W…
We develop a Monte Carlo scheme for sampling series of Feynman diagrams for the proper self-energy which are self-consistently expressed in terms of renormalized particle propagators. This approach is used to solve the problem of a single spin-down fermion resonantly interacting with the Fermi gas of spin-up particles. Though the original series based on bare propagators are sign-alternating and divergent one can still determine the answer behind them by using two strategies (separately or together): (i) using proper series re-summation techniques, and (ii) introducing renormalized propagators…
Convergence of the self-consistent skeleton diagrammatic technique (SDT) -- in which the full Green's function is determined through summation of Feynman diagrams in terms of itself -- to the wrong answer has been associated with the existence of non-perturbative branches of the Luttinger-Ward functional. Although it has been possible to detect misleading convergence without the knowledge of the exact result, the SDT has remained inapplicable in the regimes where this happens. We show that misleading convergence does not always preclude recovering the exact solution. In addition to the establi…
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 [Ami…
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 a technique that enables the evaluation of perturbative expansions based on one-loop-renormalized vertices up to large expansion orders. Specifically, we show how to compute large-order corrections to the random phase approximation in either the particle-hole or particle-particle channels. The algorithm's efficiency is achieved by the summation over contributions of all symmetrized Feynman diagram topologies using determinants, and by integrating out analytically the two-body long-range interactions in order to yield an effective zero-range interaction. Notably, the exponential scal…
The Luttinger-Ward functional $Φ[\mathbf{G}]$, which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function $\mathbf{G}$, is found to be ill-defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy $\mathbfΣ[\mathbf{G}] \propto δΦ[\mathbf{G}]/δ\mathbf{G}$ is not a single-valued functional of $\mathbf{G}$: in addition to the physical solution for $\mathbfΣ[\mathbf{G}]$, there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubb…
We employ the Dynamical Cluster Approximation (DCA) in conjunction with the Fluctuation Exchange Approximation (FLEX) to study the Hubbard model. The DCA is a technique to systematically restore the momentum conservation at the internal vertices of Feynman diagrams relinquished in the Dynamical Mean Field Approximation (DMFA). FLEX is a perturbative diagrammatic approach in which classes of Feynman diagrams are summed over analytically using geometric series. The FLEX is used as a tool to investigate the complementarity of the DCA and the finite size lattice technique with periodic boundary co…
Nonlinear optical responses are a crucial probe of physical systems including periodic solids. In the absence of electron-electron interactions, they are calculable with standard perturbation theory starting from the band structure of Bloch electrons, but the resulting formulas are often large and unwieldy, involving many energy denominators from intermediate states. This work gives a Feynman diagram approach to calculating non-linear responses. This diagrammatic method is a systematic way to perform perturbation theory, which often offers shorter derivations and also provides a natural interp…
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…
We describe the first version (v1.0.0) of the code ADG that automatically (1) generates all valid Bogoliubov many-body perturbation theory (BMBPT) diagrams and (2) evaluates their algebraic expression to be implemented for numerical applications. This is achieved at any perturbative order $p$ for a Hamiltonian containing both two-body (four-legs) and three-body (six-legs) interactions (vertices). The automated generation of BMBPT diagrams of order $p$ relies on elements of graph theory, i.e., it is achieved by producing all oriented adjacency matrices of size $(p+1) \times (p+1)$ satisfying to…
In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Here we examine these terms and discuss the relationship between th…
Background. The Gorkov approach to self-consistent Green's function theory has been formulated in [V. Somà, T. Duguet, C. Barbieri, Phys. Rev. C 84, 064317 (2011)]. Over the past decade, it has become a method of reference for first-principle computations of semi-magic nuclear isotopes. The currently available implementation is limited to a second-order self-energy and neglects particle-number non-conserving terms arising from contracting three-particle forces with anomalous propagators. For nuclear physics applications, this is sufficient to address first-order energy differences, ground-stat…
