For a system of correlated electrons, the Luttinger-Ward functional provides a link between static thermodynamic quantities on the one hand and single-particle excitations on the other.The functional is useful in deriving several general properties of the system as well as in formulating the thermodynamically consistent approximations.Its original construction, however, is perturbative as it is based on the weak-coupling skeleton-diagram expansion.Here, it is shown that the Luttinger-Ward functional can be derived within a general functional-integral approach.This alternative and non-perturbative approach stresses the fact that the Luttinger-Ward functional is universal for a large class of models.For a system of correlated electrons, the Luttinger-Ward functional provides a link between static thermodynamic quantities on the one hand and single-particle excitations on the other.The functional is useful in deriving several general properties of the system as well as in formulating the thermodynamically consistent approximations.Its original construction, however, is perturbative as it is based on the weak-coupling skeleton-diagram expansion.Here, it is shown that the Luttinger-Ward functional can be derived within a general functional-integral approach.This alternative and non-perturbative approach stresses the fact that the Luttinger-Ward functional is universal for a large class of models.

Condensed Matter PhysicsJan 1, 200667 citations

On the Luttinger-Ward functional and the convergence of skeleton diagrammatic series expansion of the self-energy for Hubbard-like models

Behnam Farid

We consider a number of questions regarding the Luttinger-Ward functional and the many-body perturbation series expansion of the proper self-energy $Σ(\mathbf{k};z)$ specific to uniform ground states (ensemble of states) of interacting fermion systems in terms of skeleton self-energy diagrams and the interacting Green function $G(\mathbf{k};z)$ . Utilising a link between the latter series expansion and the classical moment problem (of the Hamburger type), along with the associated continued-fraction expansion, we reaffirm our earlier observation (2007) that for lattice models of fermions interacting through short-range two-body potentials (i.e. for Hubbard-like models) this series is uniformly convergent for almost all wave vectors $\mathbf{k}$ and complex energies $z$ . The limit of this series is unique. We inquire into the reasons underlying the contrary observation by Kozik et al. (2015) regarding skeleton-diagrammatic perturbation series expansion of $Σ$ . In doing so, we make a number of observations of general interest. Chief amongst these, we observe that contrary to general belief thermal correlation functions calculated in the energy domain (i.e. over the set of the relevant Matsubara frequencies) are generally unreliable, in contrast to those calculated in the imaginary-time domain. In an appendix we present a symbolic computational formalism and short programs for singling out topologically distinct proper self-energy diagrams that are algebraically equivalent up to determinate multiplicative constants. This complements the work presented in our previous publication (2019). [Abridged abstract]We consider a number of questions regarding the Luttinger-Ward functional and the many-body perturbation series expansion of the proper self-energy $Σ(\mathbf{k};z)$ specific to uniform ground states (ensemble of states) of interacting fermion systems in terms of skeleton self-energy diagrams and the interacting Green function $G(\mathbf{k};z)$. Utilising a link between the latter series expansion and the classical moment problem (of the Hamburger type), along with the associated continued-fraction expansion, we reaffirm our earlier observation (2007) that for lattice models of fermions interacting through short-range two-body potentials (i.e. for Hubbard-like models) this series is uniformly convergent for almost all wave vectors $\mathbf{k}$ and complex energies $z$. The limit of this series is unique. We inquire into the reasons underlying the contrary observation by Kozik et al. (2015) regarding skeleton-diagrammatic perturbation series expansion of $Σ$. In doing so, we make a number of observations of general interest. Chief amongst these, we observe that contrary to general belief thermal correlation functions calculated in the energy domain (i.e. over the set of the relevant Matsubara frequencies) are generally unreliable, in contrast to those calculated in the imaginary-time domain. In an appendix we present a symbolic computational formalism and short programs for singling out topologically distinct proper self-energy diagrams that are algebraically equivalent up to determinate multiplicative constants. This complements the work presented in our previous publication (2019). [Abridged abstract]

arXiv:2108.10903Aug 24, 20211 citation

Legendre Transformation of the Luttinger–Ward Functional from the Bare Interaction Vertex to the Renormalized One

Takafumi Kita

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 self-consistent conserving framework.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 self-consistent conserving framework.

arXiv:2210.08660Journal of the Physical Society of JapanOct 7, 20222 citations

Density-matrix functionals from Green's functions

Peter E. Blöchl, Thomas Pruschke, Michael Potthoff

The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the one hand and theories based on many-body wave functions on the other. This link can be used to explicitly construct approximations for the density-matrix functional that are equivalent to standard diagrammatic resummation techniques and to nonperturbative dynamical mean field theory in particular. Contrary to functionals of the Green's function, the exact density-matrix functional is convex and thus provides a true minimum principle which facilitates the calculation of the grand potential and derived equilibrium properties. The benefits of the proposed Green's-function-based density-matrix functional theory for geometrical structure optimization of strongly correlated materials are discussed.The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the one hand and theories based on many-body wave functions on the other. This link can be used to explicitly construct approximations for the density-matrix functional that are equivalent to standard diagrammatic resummation techniques and to nonperturbative dynamical mean field theory in particular. Contrary to functionals of the Green's function, the exact density-matrix functional is convex and thus provides a true minimum principle which facilitates the calculation of the grand potential and derived equilibrium properties. The benefits of the proposed Green's-function-based density-matrix functional theory for geometrical structure optimization of strongly correlated materials are discussed.

arXiv:1309.2406Physical Review BNov 26, 201335 citations

Nonexistence of the Luttinger-Ward Functional and Misleading Convergence of Skeleton Diagrammatic Series for Hubbard-Like Models

Evgeny Kozik, Michel Ferrero, Antoine Georges

The Luttinger-Ward functional $\mathrm{\ensuremath{\Phi}}[\mathbf{G}]$, 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 $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]\ensuremath{\propto}\ensuremath{\delta}\mathrm{\ensuremath{\Phi}}[\mathbf{G}]/\ensuremath{\delta}\mathbf{G}$ is not a single-valued functional of $\mathbf{G}$ : in addition to the physical solution for $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]$, there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for $\mathbf{\ensuremath{\Sigma}}$ in terms of $\mathbf{G}$ is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function ${\mathbf{G}}_{0}$ converges to the correct physical branch of $\mathbf{\ensuremath{\Sigma}}$ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.The Luttinger-Ward functional $\mathrm{\ensuremath{\Phi}}[\mathbf{G}]$, 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 $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]\ensuremath{\propto}\ensuremath{\delta}\mathrm{\ensuremath{\Phi}}[\mathbf{G}]/\ensuremath{\delta}\mathbf{G}$ is not a single-valued functional of $\mathbf{G}$: in addition to the physical solution for $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]$, there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for $\mathbf{\ensuremath{\Sigma}}$ in terms of $\mathbf{G}$ is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function ${\mathbf{G}}_{0}$ converges to the correct physical branch of $\mathbf{\ensuremath{\Sigma}}$ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.

arXiv:1407.5687Physical Review LettersApr 15, 2015148 citations

Mean-field approximation for thermodynamic and spectral functions of correlated electrons: Strong coupling and arbitrary band filling

V. Janiš, Vladislav Pokorný, Anna Kauch

We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced parquet equations. It is a static local approximation of the two-particle irreducible vertex, the kernel of a potentially singular Bethe-Salpeter equation. The effective interaction enters the Ward identity from which a thermodynamic self-energy, renormalizing the one-electron propagators, is determined. The dynamical Schwinger-Dyson equation with the thermodynamic propagators is then used to calculate the spectral properties. The thermodynamic and spectral properties of correlated electrons are in this way determined on the same footing and in a consistent manner. Such a mean-field approximation is analytically controllable and free of unphysical behavior and spurious phase transitions. We apply the construction to the asymmetric Anderson impurity and the Hubbard models in the strong-coupling regime.We present a construction of a mean-field theory for thermodynamic and spectral properties of correlated electrons reliable in the strong-coupling limit. We introduce an effective interaction determined self-consistently from the reduced parquet equations. It is a static local approximation of the two-particle irreducible vertex, the kernel of a potentially singular Bethe-Salpeter equation. The effective interaction enters the Ward identity from which a thermodynamic self-energy, renormalizing the one-electron propagators, is determined. The dynamical Schwinger-Dyson equation with the thermodynamic propagators is then used to calculate the spectral properties. The thermodynamic and spectral properties of correlated electrons are in this way determined on the same footing and in a consistent manner. Such a mean-field approximation is analytically controllable and free of unphysical behavior and spurious phase transitions. We apply the construction to the asymmetric Anderson impurity and the Hubbard models in the strong-coupling regime.

arXiv:1701.00402Physical review. B./Physical review. BApr 10, 201714 citations

We consider a number of questions regarding the Luttinger-Ward functional and the many-body perturbation series expansion of the proper self-energy

Σ(\mathbf{k};z)

specific to uniform ground states (ensemble of states) of interacting fermion systems in terms of skeleton self-energy diagrams and the interacting Green function

G(\mathbf{k};z)

. Utilising a link between the latter series expansion and the classical moment problem (of the Hamburger type), along with the associated continued-fraction expansion, we reaffirm our earlier observation (2007) that for lattice models of fermions interacting through short-range two-body potentials (i.e. for Hubbard-like models) this series is uniformly convergent for almost all wave vectors

\mathbf{k}

and complex energies

z

. The limit of this series is unique. We inquire into the reasons underlying the contrary observation by Kozik et al. (2015) regarding skeleton-diagrammatic perturbation series expansion of

Σ

. In doing so, we make a number of observations of general interest. Chief amongst these, we observe that contrary to general belief thermal correlation functions calculated in the energy domain (i.e. over the set of the relevant Matsubara frequencies) are generally unreliable, in contrast to those calculated in the imaginary-time domain. In an appendix we present a symbolic computational formalism and short programs for singling out topologically distinct proper self-energy diagrams that are algebraically equivalent up to determinate multiplicative constants. This complements the work presented in our previous publication (2019). [Abridged abstract]

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 self-consistent conserving framework.

The Luttinger-Ward functional $\mathrm{\ensuremath{\Phi}}[\mathbf{G}]$, 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 $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]\ensuremath{\propto}\ensuremath{\delta}\mathrm{\ensuremath{\Phi}}[\mathbf{G}]/\ensuremath{\delta}\mathbf{G}$ is not a single-valued functional of

\mathbf{G}

: in addition to the physical solution for $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]$, there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for $\mathbf{\ensuremath{\Sigma}}$ in terms of

\mathbf{G}

is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function

{\mathbf{G}}_{0}

converges to the correct physical branch of $\mathbf{\ensuremath{\Sigma}}$ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.