The parquet equation is an exact field-theoretic equation known since the 60s that underlies numerous approximations to solve strongly correlated Fermion systems. Its derivation previously relied on combinatorial arguments classifying all diagrams of the two-particle Green's function in terms of their (ir)reducibility properties. In this work we provide a derivation of the parquet equation solely employing techniques of functional analysis namely functional Legendre transformations and functional derivatives. The advantage of a derivation in terms of a straightforward calculation is twofold: (i) the quantities appearing in the calculation have a clear mathematical definition and interpretation as derivatives of the Luttinger--Ward functional; (ii) analogous calculations to the ones that lead to the parquet equation may be performed for higher-order Green's functions potentially leading to a classification of these in terms of their (ir)reducible components.The parquet equation is an exact field-theoretic equation known since the 60s that underlies numerous approximations to solve strongly correlated Fermion systems. Its derivation previously relied on combinatorial arguments classifying all diagrams of the two-particle Green's function in terms of their (ir)reducibility properties. In this work we provide a derivation of the parquet equation solely employing techniques of functional analysis namely functional Legendre transformations and functional derivatives. The advantage of a derivation in terms of a straightforward calculation is twofold: (i) the quantities appearing in the calculation have a clear mathematical definition and interpretation as derivatives of the Luttinger--Ward functional; (ii) analogous calculations to the ones that lead to the parquet equation may be performed for higher-order Green's functions potentially leading to a classification of these in terms of their (ir)reducible components.

arXiv:2305.16050May 25, 20230 citations

Generating functional for the full parquet approximation

V. Janiš

Parquet diagrams sum self-consistently Feynman graphs for the vertex function with all two-particle multiple scatterings. We show how the complete parquet equations for the Hubbard-like models can be integrated to a generating functional from which all thermodynamic quantities are derived via (functional) derivatives. An explicit Luttinger-Ward functional $Φ[G;Λ,{\cal K};U]$ is constructed containing only the renormalized one-particle, $G$ , irreducible, $Λ$ , and reducible, ${\cal K}$ , two-particle propagators as independent variational functions. The parquet approximation is proven to be a thermodynamically consistent, $Φ$ -derivable theory obeying the necessary conservation laws.Parquet diagrams sum self-consistently Feynman graphs for the vertex function with all two-particle multiple scatterings. We show how the complete parquet equations for the Hubbard-like models can be integrated to a generating functional from which all thermodynamic quantities are derived via (functional) derivatives. An explicit Luttinger-Ward functional $Φ[G;Λ,{\cal K};U]$ is constructed containing only the renormalized one-particle, $G$, irreducible, $Λ$, and reducible, ${\cal K}$, two-particle propagators as independent variational functions. The parquet approximation is proven to be a thermodynamically consistent, $Φ$-derivable theory obeying the necessary conservation laws.

arXiv:cond-mat/9806118Jun 9, 19981 citation

Derivation of exact flow equations from the self-consistent parquet relations

Fabian B. Kugler, Jan von Delft

We exploit the parquet formalism to derive exact flow equations for the two-particle-reducible four-point vertices, the self-energy, and typical response functions, circumventing the reliance on higher-point vertices. This includes a concise, algebraic derivation of the multiloop flow equations, which have previously been obtained by diagrammatic considerations. Integrating the multiloop flow for a given input of the totally irreducible vertex is equivalent to solving the parquet equations with that input. Hence, one can tune systems from solvable limits to complicated situations by variation of one-particle parameters, staying at the fully self-consistent solution of the parquet equations throughout the flow. Furthermore, we use the resulting differential form of the Schwinger–Dyson equation for the self-energy to demonstrate one-particle conservation of the parquet approximation and to construct a conserving two-particle vertex via functional differentiation of the parquet self-energy. Our analysis gives a unified picture of the various many-body relations and exact renormalization group equations.We exploit the parquet formalism to derive exact flow equations for the two-particle-reducible four-point vertices, the self-energy, and typical response functions, circumventing the reliance on higher-point vertices. This includes a concise, algebraic derivation of the multiloop flow equations, which have previously been obtained by diagrammatic considerations. Integrating the multiloop flow for a given input of the totally irreducible vertex is equivalent to solving the parquet equations with that input. Hence, one can tune systems from solvable limits to complicated situations by variation of one-particle parameters, staying at the fully self-consistent solution of the parquet equations throughout the flow. Furthermore, we use the resulting differential form of the Schwinger–Dyson equation for the self-energy to demonstrate one-particle conservation of the parquet approximation and to construct a conserving two-particle vertex via functional differentiation of the parquet self-energy. Our analysis gives a unified picture of the various many-body relations and exact renormalization group equations.

arXiv:1807.02898New Journal of PhysicsDec 6, 201854 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

Derivation of exact flow equations from the self-consistent parquet relations

Kugler, F., von Delft, J.

We exploit the parquet formalism to derive exact flow equations for the two-particle-reducible four-point vertices, the self-energy, and typical response functions, circumventing the reliance on higher-point vertices. This includes a concise, algebraic derivation of the multiloop flow equations, which have previously been obtained by diagrammatic considerations. Integrating the multiloop flow for a given input of the totally irreducible vertex is equivalent to solving the parquet equations with that input. Hence, one can tune systems from solvable limits to complicated situations by variation of one-particle parameters, staying at the fully self-consistent solution of the parquet equations throughout the flow. Furthermore, we use the resulting differential form of the Schwinger-Dyson equation for the self-energy to demonstrate one-particle conservation of the parquet approximation and to construct a conserving two-particle vertex via functional differentiation of the parquet self-energy. Our analysis gives a unified picture of the various many-body relations and exact renormalization group equations.We exploit the parquet formalism to derive exact flow equations for the two-particle-reducible four-point vertices, the self-energy, and typical response functions, circumventing the reliance on higher-point vertices. This includes a concise, algebraic derivation of the multiloop flow equations, which have previously been obtained by diagrammatic considerations. Integrating the multiloop flow for a given input of the totally irreducible vertex is equivalent to solving the parquet equations with that input. Hence, one can tune systems from solvable limits to complicated situations by variation of one-particle parameters, staying at the fully self-consistent solution of the parquet equations throughout the flow. Furthermore, we use the resulting differential form of the Schwinger-Dyson equation for the self-energy to demonstrate one-particle conservation of the parquet approximation and to construct a conserving two-particle vertex via functional differentiation of the parquet self-energy. Our analysis gives a unified picture of the various many-body relations and exact renormalization group equations.

Dec 1, 201821 citations

Parquet theory in nuclear structure calculations

Elise Bergli

The thesis concerns a numerical implementation of the Parquet summation of diagrams within Green's functions theory applied to calculations of nuclear systems. The main motivation has been to investigate whether it is possible to develop this approach to a level comparable in accuracy and reliability to other ab initio nuclear structure methods. \n\nThe Green's functions approach is theoretically well-established in many-body theory, but to our knowledge, no actual application to nuclear systemshas been previously published. It has a number of desirable properties, foremostthe gently scaling with system size compared to direct diagonalization and the closeness to experimentally accessible quantities. The main drawback is the\nnumerical instabilities due to the pole structure of the one-particle propagator, leading to convergence difficulties. This issue is one of the main focal points of the work presented in this thesis, and strategies to improve the convergence properties are described and investigated. \n\nWe have applied the method both to a simple model which can be solved by exact diagonalization and to the more realistic 4He system. The results shows that our implementation is close to the exact solution in the simple model as long as the interaction strengths are small. As the number of particles increases,\nconvergence is increasingly hard to obtain. In the 4He case, we obtain results in the vicinity of the results from comparable approaches. The numerical in-stabilities in the current implementation still prevents the desired accuracy and\nstability necessary to achieve the current benchmark standards.The thesis concerns a numerical implementation of the Parquet summation of diagrams within Green's functions theory applied to calculations of nuclear systems. The main motivation has been to investigate whether it is possible to develop this approach to a level comparable in accuracy and reliability to other ab initio nuclear structure methods. \n\nThe Green's functions approach is theoretically well-established in many-body theory, but to our knowledge, no actual application to nuclear systemshas been previously published. It has a number of desirable properties, foremostthe gently scaling with system size compared to direct diagonalization and the closeness to experimentally accessible quantities. The main drawback is the\nnumerical instabilities due to the pole structure of the one-particle propagator, leading to convergence difficulties. This issue is one of the main focal points of the work presented in this thesis, and strategies to improve the convergence properties are described and investigated. \n\nWe have applied the method both to a simple model which can be solved by exact diagonalization and to the more realistic 4He system. The results shows that our implementation is close to the exact solution in the simple model as long as the interaction strengths are small. As the number of particles increases,\nconvergence is increasingly hard to obtain. In the 4He case, we obtain results in the vicinity of the results from comparable approaches. The numerical in-stabilities in the current implementation still prevents the desired accuracy and\nstability necessary to achieve the current benchmark standards.

Jan 1, 20101 citation

Φ[G;Λ,{\cal K};U]

is constructed containing only the renormalized one-particle,

G

, irreducible,

Λ

, and reducible,

{\cal K}

, two-particle propagators as independent variational functions. The parquet approximation is proven to be a thermodynamically consistent,

Φ

-derivable theory obeying the necessary conservation laws.