On the basis of the Luttinger-Ward formalism for the thermodynamic potential, the specific heat of single-component interacting fermion systems with fixed chemical potential is compactly expressed in terms of the fully renormalized Matsubara Green function.
We show that the single-particle Green's functions used in many body theory have an elegant description in the form of hyperfunctions. We summarize the necessary hyperfunction concepts. We show that the analytical properties and the relations between different Green's functions are natural within this formulation. Important results from the standard formalism are recovered straightforwardly. We argue that hyperfunctions could possibly provide a powerful new tool for many body theory, if the formalism could be developed beyond single-particle Green's functions.
Efficient temperature-dependent Green's function methods for realistic systems: using cubic spline interpolation to approximate Matsubara Green's functions
We extend finite-temperature tensor network methods to compute Matsubara imaginary-time correlation functions, building on the minimally entangled typical thermal states (METTS) and purification algorithms. While imaginary-time correlation functions are straightforward to formulate with these methods, care is needed to avoid convergence issues that would result from naive estimators. As a benchmark, we study the single-band Anderson impurity model, even though the algorithm is quite general and applies to lattice models. The special structure of the impurity model benchmark system and our choi…
This lecture note reviews recently proposed sparse-modeling approaches for efficient ab initio many-body calculations based on the data compression of Green's functions. The sparse-modeling techniques are based on a compact orthogonal basis, an intermediate representation (IR) basis, for imaginary-time and Matsubara Green's functions. A sparse sampling method based on the IR basis enables solving diagrammatic equations efficiently. We describe the basic properties of the IR basis, the sparse sampling method and its applications to ab initio calculations based on the GW approximation and the Mi…
We generate the perturbative expansion of the single-particle Green's function and related self-energy for a half-filled single-band Hubbard model on a square lattice. We invoke algorithmic Matsubara integration to evaluate single-particle quantities for real and Matsubara frequencies and verify results through comparison to existing data on the Matsubara axis. With low order expansions at weak-coupling we observe a number of outcomes expected at higher orders: the opening of a gap, pseudogap behavior, and Fermi-surface reconstruction. Based on low-order perturbations we consider the phase dia…
Finite-temperature quantum field theories are formulated in terms of Green's functions and self-energies on the Matsubara axis. In multi-orbital systems, these quantities are related to positive semidefinite matrix-valued functions of the Carathéodory and Schur class. Analysis, interpretation and evaluation of derived quantities such as real-frequency response functions requires analytic continuation of the off-diagonal elements to the real axis. We derive the criteria under which such functions exist for given Matsubara data and present an interpolation algorithm that intrinsically respects t…
I review the way the many-body Green functions are used to renormalize the perturbation theory of correlated fermions. The Green functions are introduced to implement systematically dynamical corrections to the static mean-field theory. The renormalizations enter the perturbation theory via self-consistent evaluations of one-particle and two-particle Green functions. The one-particle self-consistency is discussed within the Baym-Kadanoff construction. We point to an inherent dichotomy of the Baym-Kadanoff approach in the relation between one and two-particle Green functions. They are the Schwi…
Total energies from variational functionals of the Green function and the renormalized four-point vertex
We derive variational expressions for the grand potential or action in terms of the many-body Green function $G$ which describes the propagation of particles and the renormalized four-point vertex $Γ$ which describes the scattering of two particles in many-body systems. The main ingredient of the variational functionals is a term we denote as the $Ξ$ -functional which plays a role analogously to the usual $Φ$ -functional studied by Baym (G.Baym, Phys.Rev. 127, 1391 (1962)) in connection with the conservation laws in many-body systems. We show that any $Ξ$ -derivable theory is also $Φ$ -derivab…
The vanguard of many-body theory is nowadays dealing with the full frequency dynamics of n-point Green's functions for n higher than two. Numerically, these objects easily become a memory bottleneck, even when working with discrete imaginary-time Matsubara frequencies. Here, we use the intermediate representation (IR) to compactify the two-point Green's function and three-point Fermion-Bose vertex directly on the real frequency axis, on the basis of numerical renormalization group (NRG) data. We empirically observe an upper bound of the relative error when comparing the IR reconstructed signal…
We present a path integral formalism for expressing matrix elements of the density matrix of a quantum many-body system between any two coherent states in terms of standard Matsubara action with periodic(anti-periodic) boundary conditions on bosonic(fermionic) fields. We show that this enables us to express several entanglement measures for bosonic/fermionic many-body systems described by a Gaussian action in terms of the Matsubara Green function. We apply this formalism to compute various entanglement measures for the two-dimensional Bose-Hubbard model in the strong-coupling regime, both in t…
adapol: Adaptive pole-fitting for quantum many-body physics
Center for Computational Quantum Physics, Flatiron Institute（Flatiron Institute 计算量子物理中心）；Center for Computational Mathematics, Flatiron Institute（Flatiron Institute 计算数学中心）；Department of Mathematics, University of California, Berkeley（加州大学伯克利分校数学系）；Department of Computing and Mathematical Sciences, California Institute of Technology（加州理工学院计算与数学科学系）；Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室应用数学与计算研究部）；School of Science and Technology, Örebro University（Örebro University 科学与技术学院）
On the basis of the Luttinger-Ward functional for interacting many-body systems given in terms of full Green's function $G$ and the bare interaction vertex $Γ^{(0)}$, we develop a novel Legendre transformation to express the grand thermodynamic potential $Ω$ as a functional of $G$ and the renormalized interaction vertex $Γ$ so that (i) $G$ and $Γ$ obey the stationarity conditions $δΩ/δG=0$ and $δΩ/δΓ=0$ and (ii) $Γ$ reduces to $Γ^{(0)}$ in the weak-coupling limit. The formalism enables us to perform microscopic studies of thermodynamic, single-particle, and two-particle properties in a unified…
Inhomogeneous spectral moment sum rules for the retarded Green function and self-energy of strongly correlated electrons or ultracold fermionic atoms in optical lattices
