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Physical Review C

Cluster Expansions for Correlated Wave Functions in Nuclear Physics

Carl M. Shakin

Published Sep 1, 1971• 16 citations
Publisher

Abstract

The cluster expansion for the energy for a system with Bijl-Dingle-Jastrow (BDJ) correlation structure is derived in a new form. It is shown how the theory may be related to the Brueckner-Bethe-Goldstone theory with a particular choice for the correlation operator (or wave matrix) appearing in the BDJ wave function. The three-body cluster terms are discussed. It is shown that these clusters contain a limited class of dispersive terms which may be included in the analysis of the two-body clusters. The three-body clusters are also shown to contain terms which correct for violations of the Pauli principle in the correlation operator.

DOI
10.1103/physrevc.4.684

Related papers

Three-Body Clusters in Nuclear Matter

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It is shown that starting with a correlated wave function for nuclear matter of a general form one may make direct correspondence to the conventional diagrammatic theory of Brueckner, Bethe, and Goldstone. In particular, in this work we show that the expression for the three-body-cluster energy is the same as that obtained by Bethe. Also, it is shown that the current approximation which neglects the potential for particle states in the diagrammatic approach corresponds to a neglect of a coupling between the two-body (Bethe-Goldstone) equation and the equation for the three-body-cluster wave function (Bethe-Faddeev). The theory presented here provides a clarification of the relation of the $n$-body-cluster wave functions and the structure of the wave function of the entire system.

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Cluster Expansions for Correlated Wave Functions of Finite Systems

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A theory of correlated wave functions for finite systems is developed which systematically neglects the contribution from three-body cluster terms. The approximation made leads to a derivation of a Bethe-Goldstone equation for finite systems which includes modified occupation probabilities and self-consistent potentials for occupied states. The absence of potentials in unoccupied states follows from the neglect of three-body cluster terms. It is also shown that a careful treatment of the Pauli principle and occupation probabilities allows the application of variational techniques.

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Embedding of the Brueckner Approximation in the Extended Jastrow Scheme

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A nonperturbative derivation of the Brueckner approximation to the ground-state energy of nuclear matter (with standard choice of hole and particle energies) is given within the framework of the method of correlated basis functions. The structure of the factor-cluster (FIY) expansion of the expectation value of the Hamiltonian with respect to a trial function incorporating short-range correlations in a general fashion, is analyzed for a uniform extended medium of fermions. With a special choice of correlated wave function, the Brueckner approximation is extracted from the FIY expansion by selective summation of two-body combination terms to all orders in the smallness parameter $\ensuremath{\kappa}$ associated, in this case, with both Brueckner-Bethe-Goldstone and FIY energy expansions. A reexamination of the numerical comparison of conventional Brueckner and Jastrow methods carried out earlier for two simple models of nuclear matter leads to the conclusion that it is inadvisable, at least in a Jastrow calculation satisfying the average Pauli condition, to incorporate the $O(\ensuremath{\kappa})$ contribution of the analog of the dispersion correction of reaction-matrix theory without at the same time including the $O(\ensuremath{\kappa})$ contribution of the analog of the Bethe-Faddeev term. For the uniform extended medium for the Jastrow choice of wave function, there is a formal cancellation of these two three-body contributions, the scale of this cancellation being governed by the size of $\ensuremath{\kappa}$. In the numerical example considered, $\ensuremath{\kappa}$ is about 0.22 and the cancellation goes something like +14 MeV-15 MeV=-1 MeV. These findings, when juxtaposed with the standard Brueckner results for the simple models in question, suggest that a departure from the standard prescription of hole and particle energies in reaction-matrix theory may be necessary when $\ensuremath{\kappa}$ is sizeable-as in liquid $^{3}\mathrm{He}$ and the high-density neutron gas, as well as equilibrium nuclear matter described with some potentials.

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Physical Review•Dec 16, 1966•184 citations

Role of the Dispersion Effect in the Method of Correlated Basis Functions

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We develop a consistent procedure for introducing an external single-particle potential into the cluster expansion of the energy expectation value with respect to a correlated wave function. It is shown that the usual Brueckner reaction-matrix approximation may be extracted from the correlated-basis-functions theory by a special treatment of the external potential and an associated special choice of two-body correlation factor.

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Variational Jastrow coupled-cluster theory of quantum many-body systems

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We study many-body correlations in the ground state of a general quantum system of bosons or fermions by including an additional Jastrow function in our recently proposed variational coupled-cluster method. Our approach combines the advantages of state-dependent correlations in the coupled-cluster theory and of the strong, short-ranged correlations of the Jastrow function. We apply a generalized linked-cluster expansion for the Jastrow wave function and provide a detailed analysis for practical evaluation of the Hamiltonian expectation value as an energy functional of the Jastrow function and the bare density-distribution functions introduced and calculated in our earlier publications; a simple, first-order energy functional is derived and detailed formulas for the higher-order contributions are provided. Our energy functional does not suffer the divergence as most coupled-cluster calculations often do when applying to Hamiltonians with hardcore potentials. We also discuss possible applications of our technique, including applications to strongly correlated fermion systems.

arXiv:0712.2380•Physical Review A•Apr 3, 2008•4 citations
The cluster expansion for the energy for a system with Bijl-Dingle-Jastrow (BDJ) correlation structure is derived in a new form. It is shown how the theory may be related to the Brueckner-Bethe-Goldstone theory with a particular choice for the correlation operator (or wave matrix) appearing in the BDJ wave function. The three-body cluster terms are discussed. It is shown that these clusters contain a limited class of dispersive terms which may be included in the analysis of the two-body clusters. The three-body clusters are also shown to contain terms which correct for violations of the Pauli principle in the correlation operator.
It is shown that starting with a correlated wave function for nuclear matter of a general form one may make direct correspondence to the conventional diagrammatic theory of Brueckner, Bethe, and Goldstone. In particular, in this work we show that the expression for the three-body-cluster energy is the same as that obtained by Bethe. Also, it is shown that the current approximation which neglects the potential for particle states in the diagrammatic approach corresponds to a neglect of a coupling between the two-body (Bethe-Goldstone) equation and the equation for the three-body-cluster wave function (Bethe-Faddeev). The theory presented here provides a clarification of the relation of the nnn-body-cluster wave functions and the structure of the wave function of the entire system.
A theory of correlated wave functions for finite systems is developed which systematically neglects the contribution from three-body cluster terms. The approximation made leads to a derivation of a Bethe-Goldstone equation for finite systems which includes modified occupation probabilities and self-consistent potentials for occupied states. The absence of potentials in unoccupied states follows from the neglect of three-body cluster terms. It is also shown that a careful treatment of the Pauli principle and occupation probabilities allows the application of variational techniques.
A nonperturbative derivation of the Brueckner approximation to the ground-state energy of nuclear matter (with standard choice of hole and particle energies) is given within the framework of the method of correlated basis functions. The structure of the factor-cluster (FIY) expansion of the expectation value of the Hamiltonian with respect to a trial function incorporating short-range correlations in a general fashion, is analyzed for a uniform extended medium of fermions. With a special choice of correlated wave function, the Brueckner approximation is extracted from the FIY expansion by selective summation of two-body combination terms to all orders in the smallness parameter $\ensuremath{\kappa}$ associated, in this case, with both Brueckner-Bethe-Goldstone and FIY energy expansions. A reexamination of the numerical comparison of conventional Brueckner and Jastrow methods carried out earlier for two simple models of nuclear matter leads to the conclusion that it is inadvisable, at least in a Jastrow calculation satisfying the average Pauli condition, to incorporate the $O(\ensuremath{\kappa})$ contribution of the analog of the dispersion correction of reaction-matrix theory without at the same time including the $O(\ensuremath{\kappa})$ contribution of the analog of the Bethe-Faddeev term. For the uniform extended medium for the Jastrow choice of wave function, there is a formal cancellation of these two three-body contributions, the scale of this cancellation being governed by the size of $\ensuremath{\kappa}$. In the numerical example considered, $\ensuremath{\kappa}$ is about 0.22 and the cancellation goes something like +14 MeV-15 MeV=-1 MeV. These findings, when juxtaposed with the standard Brueckner results for the simple models in question, suggest that a departure from the standard prescription of hole and particle energies in reaction-matrix theory may be necessary when $\ensuremath{\kappa}$ is sizeable-as in liquid 3He^{3}\mathrm{He}3He and the high-density neutron gas, as well as equilibrium nuclear matter described with some potentials.
Bethe's treatment of three-body clusters is extended to the entire linked-cluster perturbation series. The result is a completely rearranged expansion in terms of "compact clusters." The spatial correlations within these terms are all of quite short range. As a direct consequence, each of these new compact-cluster terms is proportional to ${\ensuremath{\kappa}}^{{h}^{\ensuremath{'}}\ensuremath{-}1}$, where ${h}^{\ensuremath{'}}$ is the number of momenta inside the Fermi sea which can be summed independently after allowing for momentum conservation. The "small parameter" of the expansion is $\ensuremath{\kappa}=\ensuremath{\rho}\ensuremath{\int}{|\ensuremath{\zeta}|}^{2}d\ensuremath{\tau}$, where $\ensuremath{\rho}$ is the ordinary nuclear density and $\ensuremath{\zeta}=\ensuremath{\varphi}\ensuremath{-}{\ensuremath{\psi}}_{\mathrm{BG}}$ is the "wound" in the correlated two-body (bethe-Goldstone) wave function. In nuclear matter this $\ensuremath{\kappa}$ is of order 10%. This result requires that the single-particle potentials be defined in terms of a certain subset of all the self-energy insertions. The allowed insertions are those which can be evaluated entirely on the energy shell, by means of a "generalized time-ordering" factorization. The totality of these insertions is said to constitute an "on-energy-shell mass operator" Mon{M}^{\mathrm{on}}Mon. The resulting occupied-state potentials are quantitatively very similar to those of most previous versions of nuclear-matter theory. However, the present intermediate-state potentials are small enough (being only of order +1 MeV) to be safely ignored in practical calculations. This simplification is offset by the need for a separate calculation of the three-body clusters. These single-particle potentials are "physically meaningful" in the sense that they lead to an optimum treatment of the short-range correlations. The bulk properties of nuclear systems are determined almost entirely by these short-range correlations. It is therefore proposed that similar potentials be used in a many-body theory of finite nuclei. True occupation numbers occur in a simple and natural way throughout the entire expansion. The formal and practical consequences of this feature are carefully examined. It is argued that this is significant for a theory of finite nuclei. Comparisons are made with several different "renormalized" formulations of quantum statistical mechanics, and also with the Green's-function theory of nuclear matter. The present formulation tends to artificially suppress the long-range correlations (e.g., pairing correlations) between particles near the Fermi surface. This defect can be eliminated by using a degenerate analog of the Goldstone expansion.
We study many-body correlations in the ground state of a general quantum system of bosons or fermions by including an additional Jastrow function in our recently proposed variational coupled-cluster method. Our approach combines the advantages of state-dependent correlations in the coupled-cluster theory and of the strong, short-ranged correlations of the Jastrow function. We apply a generalized linked-cluster expansion for the Jastrow wave function and provide a detailed analysis for practical evaluation of the Hamiltonian expectation value as an energy functional of the Jastrow function and the bare density-distribution functions introduced and calculated in our earlier publications; a simple, first-order energy functional is derived and detailed formulas for the higher-order contributions are provided. Our energy functional does not suffer the divergence as most coupled-cluster calculations often do when applying to Hamiltonians with hardcore potentials. We also discuss possible applications of our technique, including applications to strongly correlated fermion systems.