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Progress of Theoretical Physics

Antisymmetrized Folded-Linked-Cluster Expansion for Many-Body Shell Model States

Masao Nomura

Published Apr 1, 1981• 1 citation
Publisher

Abstract

Linked-cluster expansion for a degenerate system is formulated so that it could be widely applicable to nuclear shell model calculation. Most parts of discussion are given to operation of linking. The model space is extended to any number of valence particles being coupled to an inert or a dynamically active core. The J-scheme is adopted and restriction of Pauli principle is maintained in a maximum possible way as allowed by operations of linking and folding. It reduces the number of diagrams. Algebraic expression for the linked diagram of unfolded form is derived in two ways. One is by means of a relation among cfp's and the other relies on a generalized commutation relation.

DOI
10.1143/ptp.65.1305

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Progress of Theoretical Physics Vol. 65 No. 4 (1981) pp. 1305–1321 : Antisymmetrized Folded-Linked-Cluster Expansion for Many-Body Shell Model States Masao Nomura

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arXiv:1803.11118•Physical review. B./Physical review. B•Nov 27, 2019•0 citations
Linked-cluster expansion for a degenerate system is formulated so that it could be widely applicable to nuclear shell model calculation. Most parts of discussion are given to operation of linking. The model space is extended to any number of valence particles being coupled to an inert or a dynamically active core. The J-scheme is adopted and restriction of Pauli principle is maintained in a maximum possible way as allowed by operations of linking and folding. It reduces the number of diagrams. Algebraic expression for the linked diagram of unfolded form is derived in two ways. One is by means of a relation among cfp's and the other relies on a generalized commutation relation.
A new approach to the diagrammatic formulation of many-body perturbation theory for open-shell systems is presented. The formalism is based on a generalized form of the Bloch equation that also generates the Rayleigh--Schroedinger perturbation expansion for a system with several open shells. Second quantization in the particle-hole formulation is used together with Wick's theorem in order to derive graphical rules in the usual way. The linked-diagram property of the wave operator and of the effective interaction is shown by expanding the wave operator in terms of normal products of connected diagram clusters, in analogy with the exp(S) formalism of Coester and Kuemmel for closed-shell systems. Self-consistent coupled-cluster equations are derived for the open-shell case from the generalized Bloch equation by a straightforward extension of the procedure of Cizek and Paldus. The application of such equations for investigating different properties of open-shell atoms is discussed. 56 references.
A new approach to the diagrammatic formulation of many-body perturbation theory for open-shell systems is presented. The formalism is based on a generalized form of the Bloch equation that also generates the Rayleigh-Schrödinger perturbation expansion for a system with several open shells. Second quantization in the particle-hole formulation is used together with Wick's theorem in order to derive graphical rules in the usual way. The linked-diagram property of the wave operator and of the effective interaction is shown by expanding the wave operator in terms of normal products of connected diagram clusters, in analogy with the exp(S) formalism of Coester and Kümmel for closed-shell systems. Self-consistent “coupled-cluster” equations are derived for the open-shell case from the generalized Bloch equation by a straightforward extension of the procedure of Čížek and Paldus. The application of such equations for investigating different properties of open-shell atoms is discussed.
The Goldstone expansion is rederived by elementary time-independent methods, starting from Brillouin-Wigner (BW) perturbation theory. Interaction energy terms $\ensuremath{\Delta}E$ are expanded out of the BW energy denominators, and the series is then rearranged to obtain the linked-cluster result. Similar algebraic methods lead to the linked expansions for the total wave function (Hugenholtz) and the expectation value of a general operator (Thouless). Starting again with a degenerate version of BW perturbation theory, these methods are used to obtain the Bloch-Horowitz energy expansion, as well as the corresponding wave function, expectation-value, and transition-amplitude expansions. A "reduced" form of the Block-Horowitz expansion is described, and also a "completely linked" version. The latter is suggested as a tool for investigating superfiuid phenomena in nuclear matter, and for establishing contact with the Landau theory of Fermi liquids. The physical interpretation of these expansions is carefully studied, especially with regard to nuclear applications, to determine how they handle such "physical" features as antisymmetry, self-energy effects, wave-function renormalizations, and the distinction between "true" and "model" single-particle occupation probabilities. The problem of a correct theoretical definition for the shell-model potential is carefully examined, and a specific theory is presented. These expansions are seen to form a convenient and very powerful set of tools for studying the structure of actual nuclei.
The widely used coupled cluster method (CCM) in quantum many-body theory has recently provided very accurate descriptions of a large number of extended systems. Although its earlier applications to closed-shell and neighboring finite nuclei were also very successful, they have been shrouded in algebraic and technical complexity. Furthermore, they are difficult to compare with more traditional calculations of generalized shell-model theory since, at least at the important level of two-body correlations, they have been largely implemented in relative-coordinate space rather than the more usual oscillator configuration space. The CCM is reviewed here in the precise context of applications to simple finite systems. Special attention is paid to formulate it in such a way that comparison may be made with generalized shell-model or configuration-interaction (CI) theories. Particular regard is paid to an exact incorporation of translational invariance, so that any spuriosity associated with the center-of-mass motion is always avoided. An important side benefit is that the number of many-body configurations in the usual oscillator basis is dramatically reduced. We are thereby able to present both CI and CCM calculations on 4He^{4}\mathrm{He}4He up to the essentially unprecedented level of 60\ensuremath{\Elzxh}\ensuremath{\omega} in oscillator excitation energy, for two popular and quasirealistic choices of the nucleon-nucleon interaction for which exact Monte Carlo results are available for this nucleus. Although even our simplest approximations attain about 95% of the total binding energy, the convergence in the oscillator configuration space is shown to be both very slow and of a complicated nonuniform nature. Strong implications are drawn for standard implementations of generalized shell-model techniques for heavier nuclei.
We develop an approach of calculating the many-body path integral based on the linked cluster expansion method. First, we derive a linked cluster expansion and we give the diagrammatic rules for calculating the free energy and the pair distribution function g(r)g(r)g(r) as a systematic power-series expansion in the particle density. We also present a structured Pad\'e approximation scheme in the momentum space to determine g(r)g(r)g(r). The calculated g(r)g(r)g(r) for distinguishable particles interacting with Lennard-Jones and hard-sphere potential in various attempted schemes of approximation of the diagrammatic series compares very well with the results of path-integral Monte Carlo simulation. Our method is applicable to a wide range of problems of current general interest and may be extended to the case of identical particles and, in particular, to the case of the many-fermion problem.