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Physical Review C

Pauli effects on "variational" calculations in nuclear matter

K. A. Brueckner

Published Nov 1, 1976• 5 citations
Publisher

Abstract

The difficulties which arise in the conventional development of the Jastrow method for fermions, from the failure to impose proper wave-function antisymmetry, are exhibited by an extension of the diagrammatic analysis of Pandharipande and Bethe. These problems are readily solved by the use of second quantization and a corresponding modification of the usual cluster expansion. A numerical example for a strong repulsive interaction shows that inaccurate treatment of the antisymmetrization can lead to very large errors in low-order estimates of the energy.NUCLEAR STRUCTURE variational calculations, nuclear matter, Jastrow method, cluster expansion, antisymmetrization.

DOI
10.1103/physrevc.14.1999

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The difficulties which arise in the conventional development of the Jastrow method for fermions, from the failure to impose proper wave-function antisymmetry, are exhibited by an extension of the diagrammatic analysis of Pandharipande and Bethe. These problems are readily solved by the use of second quantization and a corresponding modification of the usual cluster expansion. A numerical example for a strong repulsive interaction shows that inaccurate treatment of the antisymmetrization can lead to very large errors in low-order estimates of the energy.NUCLEAR STRUCTURE variational calculations, nuclear matter, Jastrow method, cluster expansion, antisymmetrization.
The hypotheticai system of nucleons known as nuclear matter provides a very interesting field of study with relevance to both nuclear physics and astrophysics. The task of finding nucleon-nucleon potentials that explain the empirical properties of nuclear matter, as well as the two-body data, has been hampered by the lack of an adequate many-body theory for treating the complicated forces involved. Realistic nucleon-nucleon potentials have strong spin, isospin, tensor and spin-orbit components which induce correspondingly strong correlations in nuclear matter. In this thesis we present a variational theory designed to cope with these complicated correlations. To place the theory in perspective we give an overview of several different many-body theories and compare their predictions in the somewhat simpler systems of the 4He and 3He liquids, and for a simple central potential model of nuclear matter. The variational theory is then developed, starting with the choice of wave function. A generalized Jastrow product of two-body correlation functions containing central, spin, isospin, tensor, and spin-orbit operators is used. The correlation function is generated by a series of two-body Schrodinger equations with boundary conditions which require the wave function to heal at a distance d. The wave function is parameterized by d and by the magnitudes of the non-central correlations. Expectation values with variational wave functions of the Jastrow type may be studied conveniently with generalized Mayer diagrams. Diagram rules are given and a general diagrammatic cluster expansion is derived. It is an expansion in powers of commutators of the non-central operators, and in their absence reduces to the usual Mayer cluster expansion. Evaluation of diagrams in the cluster expansion is complicated by the presence of the non-commuting operators. Some simple rules and useful methods for calculating the contribution due to the central, spin, isospin, and tensor operators are given. Spin-orbit operators are neglected beyond this point, but the approach used is extendible to them. Large classes of diagrams contributing to an expectation value can be summed by means of integral equations. The development of single chain, hypernetted chain, and Fermi hypernetted chain (FHNC) equations for central correlations is reviewed. The chain summation methods are extended to sum single operator chains (SOC) for the non-central operators. Methods are also given for treating the leading commutator corrections in the expansi0n by simple vertex factors. The energy expectation value for potentials with six operators are evaluated using the FHNC/SOC functions, with an exact treatment of the commutators involved. The energy is found to have a minimum with respect to variations in all parameters. Results of calculations with model potentials based on the Reid, Bethe-Johnson, Hamada-Johnston, and Gammel-Thaler potentials are reported. A crude estimate of the effect of the neglected spin-orbit potentials on the nuclear matter binding energy and saturation density indicates that it could be significant. A correct treatment of the spin-orbit potentials is the next major step that should be taken.
Calculations of the energy for two different nuclear matter models are carried out using Jastrow-Slater wave functions and an integral equation developed previously by Chakravarty and Woo. Even though the same variational parameters are used, our results differ significantly with those of Ceperley, Chester, and Kalos who employed a Monte Carlo technique. The discrepancy, mainly in the potential energy, is traced to short-range behavior of the pair correlation function. No satisfactory explanation can be offered at this time. Our integral equation is then subjected to a formal analysis for a weakly interacting Bose gas. It is shown to perform at least as well for boson systems as the Bogoliubov-Born-Green-Kirkwood-Yvon equation.NUCLEAR STRUCTURE Many-body variational calculation applied to nuclear matter model.
Enforcing the Pauli principle in many-body systems of fermions to ensure an antisymmetric wave function is typically a numerically expensive task. Numerical methods, such as coupled-cluster, correlated basis function, Monte Carlo, and traditional configuration interaction, scale with powers of NNN that make the determination of the energy spectrum of these systems a challenge. In a recent paper, we successfully obtained energies for large systems of fermions in the unitary regime in which we applied the Pauli principle ``on paper'' without obtaining an explicit wave function. This approach, an extension of the symmetry invariant perturbation method to fermions, applies the Pauli principle by imposing restrictions on the quantum numbers used to obtain the energy. As a followup to this study, we perform an explicit test of the validity of this application of the Pauli principle by comparing our energy results against the energies corresponding to explicitly antisymmetrized wave functions for an exactly solvable system of harmonically confined, harmonically interacting fermions. Our results show that our simple method of applying the Pauli principle selects from a spectrum of possible many-body energies only those energies that correspond to explicitly antisymmetrized wave functions. Our results were tested for values of NNN through $\ensuremath{\approx}10 000$ and for weak and strong interactions both repulsive and attractive.
We develop the variational/parquet diagram approach to the structure of nuclear systems with strongly state-dependent interactions. For that purpose, we combine ideas of the general Jastrow-Feenberg variational method and the local parquet-diagram theory for bosons with state-dependent interactions [R. A. Smith and A. D. Jackson, Nucl. Phys. A 476, 448 (1988)]. The most tedious aspect of variational approaches, namely the symmetrization of an operator dependent variational wave function, is thereby avoided. We carry out calculations for neutron matter interacting via the Reid and Argonne v6{v}_{6}v6​ models of the nucleon-nucleon interaction. While the equation of state is a rather robust quantity that comes out reasonably well even in very simplistic approaches, we show that effective interactions, which are the essential input for calculating dynamic properties, depend sensitively on the quality of the treatment of the many-body problem.
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.