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Acta Physica Sinica

AN ALTERNATE PROOF OF THE INFINITE ORDER PERTURBATION THEORY BY MATRIX PARTITION

Zheng Zheng

Published Jan 1, 1981• 0 citations
OpenAlex

Abstract

Recently, Wu and his coworkers formulated an infinite order perturbation theory for solving the Green's function of a disordered system, using a diagrammatic technique. In this paper, the method of matrix partition is used to obtain the same series of recursion relations, thus providing an algebraic proof for the theory.

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AN ALTERNATE PROOF OF THE INFINITE ORDER PERTURBATION THEORY BY MATRIX PARTITION

ZHENG ZHAO-BO, 中国科学技术大学物理系

Recently, Wu and his coworkers formulated an infinite order perturbation theory for solving the Green's function of a disordered system, using a diagrammatic technique. In this paper, the method of matrix partition is used to obtain the same series of recursion relations, thus providing an algebraic proof for the theory.

Acta Physica Sinica•Jan 1, 1981•1 citation

ON THE USE OF GREEN FUNCTIONS IN PERTURBATION THEORY. PART II

D. Ter Haar, Harald Wergeland

A Green's function method is used to calculate the natural line width of a spectral line of a many-body system. The result is shown to be identical to the result obtained by time-dependent perturbation theory. (T.F.H.)

•Jan 1, 1961•0 citations

Application of infinite order perturbation theory in linear systems. II. The frequency spectrum of disordered chains

Shiyu Wu

A formulation is presented such that the ensemble average of the diagonal elements of the Green's function for a one-dimensional disordered system can be calculated to arbitrary accuracy. The method is illustrated with an application to an isotopically disordered chain. An approximate solution to the frequency spectrum of a disordered binary chain is also discussed.

Journal of Mathematical Physics•Jul 1, 1974•19 citations

One-particle many-body Green’s function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms

So Hirata, Alexander E. Doran, Peter J. Knowles +1 more

A thorough analytical and numerical characterization of the whole perturbation series of one-particle many-body Green's function (MBGF) theory is presented in a pedagogical manner. Three distinct but equivalent algebraic (first-quantized) recursive definitions of the perturbation series of the Green's function are derived, which can be combined with the well-known recursion for the self-energy. Six general-order algorithms of MBGF are developed, each implementing one of the three recursions, the ΔMPn method (where n is the perturbation order) [S. Hirata et al., J. Chem. Theory Comput. 11, 1595 (2015)], the automatic generation and interpretation of diagrams, or the numerical differentiation of the exact Green's function with a perturbation-scaled Hamiltonian. They all display the identical, nondivergent perturbation series except ΔMPn, which agrees with MBGF in the diagonal and frequency-independent approximations at 1≤n≤3 but converges at the full-configuration-interaction (FCI) limit at n=∞ (unless it diverges). Numerical data of the perturbation series are presented for Koopmans and non-Koopmans states to quantify the rate of convergence towards the FCI limit and the impact of the diagonal, frequency-independent, or ΔMPn approximation. The diagrammatic linkedness and thus size-consistency of the one-particle Green's function and self-energy are demonstrated at any perturbation order on the basis of the algebraic recursions in an entirely time-independent (frequency-domain) framework. The trimming of external lines in a one-particle Green's function to expose a self-energy diagram and the removal of reducible diagrams are also justified mathematically using the factorization theorem of Frantz and Mills. Equivalence of ΔMPn and MBGF in the diagonal and frequency-independent approximations at 1≤n≤3 is algebraically proven, also ascribing the differences at n = 4 to the so-called semi-reducible and linked-disconnected diagrams.

The Journal of Chemical Physics•Jul 27, 2017•80 citations

Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory

Andr�i Zaitsevskii, Renzo Cimiraglia

The second-order multireference perturbation theory employing multiple partitioning of the many-electron Hamiltonian into a zero-order part and a perturbation is formulated in terms of many-body diagrams. The essential difference from the standard diagrammatic technique of Hose and Kaldor concerns the rules of evaluation of energy denominators which take into account the dependence of the Hamiltonian partitioning on the bra and ket determinantal vectors of a given matrix element, as well as the presence of several two-particle terms in zero-order operators. The novel formulation naturally gives rise to a “sum-over-orbital” procedure of correlation calculations on molecular electronic states, particularly efficient in treating the problems with large number of correlated electrons and extensive one-electron bases. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 73: 395–401, 1999

International Journal of Quantum Chemistry•Jan 1, 1999•23 citations

New approach to the one-particle Green's function for finite Fermi systems

J. Schirmer, Lorenz S. Cederbaum, Olaf Walter

A new approach to the one-particle Green's functions $\mathit{G}$ for finite electronic systems is presented. This approach is based on the diagrammatic perturbation expansions of the Green's function and of the dynamic self-energy part $\mathit{M}$ related to $\mathit{G}$ via the Dyson equation. The exact summation of the latter expansion is reformulated in terms of a simple algebraic form referred to as algebraic diagrammatic construction (ADC). The ADC defines in a systematical way a set of approximation schemes ($n\mathrm{th}$-order ADC schemes) that represent infinite partial summations for $\mathit{M}$ and (via the Dyson equation) for $\mathit{G}$ being complete through $n\mathrm{th}$ order of perturbation theory. The corresponding mathematical procedures are essentially Hermitian eigenvalue problems in restricted configuration spaces of unperturbed ionic configurations. Explicit equations for the second-, third-, and fourth-order ADC schemes are derived and analyzed. While the second- and third-order schemes can be viewed as systematic rederivations of previous approximation schemes, the fourth-order ADC scheme represents a complete fourth-order approximation for the self-energy and the one-particle Green's function which was hitherto not available.

Physical Review A•Sep 1, 1983•725 citations
A thorough analytical and numerical characterization of the whole perturbation series of one-particle many-body Green's function (MBGF) theory is presented in a pedagogical manner. Three distinct but equivalent algebraic (first-quantized) recursive definitions of the perturbation series of the Green's function are derived, which can be combined with the well-known recursion for the self-energy. Six general-order algorithms of MBGF are developed, each implementing one of the three recursions, the ΔMPn method (where n is the perturbation order) [S. Hirata et al., J. Chem. Theory Comput. 11, 1595 (2015)], the automatic generation and interpretation of diagrams, or the numerical differentiation of the exact Green's function with a perturbation-scaled Hamiltonian. They all display the identical, nondivergent perturbation series except ΔMPn, which agrees with MBGF in the diagonal and frequency-independent approximations at 1≤n≤3 but converges at the full-configuration-interaction (FCI) limit at n=∞ (unless it diverges). Numerical data of the perturbation series are presented for Koopmans and non-Koopmans states to quantify the rate of convergence towards the FCI limit and the impact of the diagonal, frequency-independent, or ΔMPn approximation. The diagrammatic linkedness and thus size-consistency of the one-particle Green's function and self-energy are demonstrated at any perturbation order on the basis of the algebraic recursions in an entirely time-independent (frequency-domain) framework. The trimming of external lines in a one-particle Green's function to expose a self-energy diagram and the removal of reducible diagrams are also justified mathematically using the factorization theorem of Frantz and Mills. Equivalence of ΔMPn and MBGF in the diagonal and frequency-independent approximations at 1≤n≤3 is algebraically proven, also ascribing the differences at n = 4 to the so-called semi-reducible and linked-disconnected diagrams.
The second-order multireference perturbation theory employing multiple partitioning of the many-electron Hamiltonian into a zero-order part and a perturbation is formulated in terms of many-body diagrams. The essential difference from the standard diagrammatic technique of Hose and Kaldor concerns the rules of evaluation of energy denominators which take into account the dependence of the Hamiltonian partitioning on the bra and ket determinantal vectors of a given matrix element, as well as the presence of several two-particle terms in zero-order operators. The novel formulation naturally gives rise to a “sum-over-orbital” procedure of correlation calculations on molecular electronic states, particularly efficient in treating the problems with large number of correlated electrons and extensive one-electron bases. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 73: 395–401, 1999
A new approach to the one-particle Green's functions G\mathit{G}G for finite electronic systems is presented. This approach is based on the diagrammatic perturbation expansions of the Green's function and of the dynamic self-energy part M\mathit{M}M related to G\mathit{G}G via the Dyson equation. The exact summation of the latter expansion is reformulated in terms of a simple algebraic form referred to as algebraic diagrammatic construction (ADC). The ADC defines in a systematical way a set of approximation schemes (nthn\mathrm{th}nth-order ADC schemes) that represent infinite partial summations for M\mathit{M}M and (via the Dyson equation) for G\mathit{G}G being complete through nthn\mathrm{th}nth order of perturbation theory. The corresponding mathematical procedures are essentially Hermitian eigenvalue problems in restricted configuration spaces of unperturbed ionic configurations. Explicit equations for the second-, third-, and fourth-order ADC schemes are derived and analyzed. While the second- and third-order schemes can be viewed as systematic rederivations of previous approximation schemes, the fourth-order ADC scheme represents a complete fourth-order approximation for the self-energy and the one-particle Green's function which was hitherto not available.