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Physical review. B, Condensed matter

Application of parquet perturbation theory to ground states of boson systems

Andrew David Jackson, Alexander Lande, R. W. Guitink, R. A. Smith

Published Jan 1, 1985• 27 citations
Publisher

Abstract

In the interest of polishing the parquet approach to microscopic calculations of ground-state properties of zero-temperature quantum fluids, we have developed a perturbative scheme for the systematic improvement of the four-point function which retains the correct behavior of the parquet diagrams in both the small-r and small-k limits. Numerical implementation of this scheme indicates significantly improved agreement with binding energies calculated with Green's-function Monte Carlo techniques (i.e., differences in liquid $^{4}\mathrm{He}$ are less than 1.5%). The charged Bose gas and the hard-sphere system are also considered. Remaining difficulties in the calculations of the liquid structure function are noted and discussed.

DOI
10.1103/physrevb.31.403

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Physical review. B, Condensed matter•Jan 1, 1996•3 citations
In the interest of polishing the parquet approach to microscopic calculations of ground-state properties of zero-temperature quantum fluids, we have developed a perturbative scheme for the systematic improvement of the four-point function which retains the correct behavior of the parquet diagrams in both the small-r and small-k limits. Numerical implementation of this scheme indicates significantly improved agreement with binding energies calculated with Green's-function Monte Carlo techniques (i.e., differences in liquid 4He^{4}\mathrm{He}4He are less than 1.5%). The charged Bose gas and the hard-sphere system are also considered. Remaining difficulties in the calculations of the liquid structure function are noted and discussed.
The London ground-state energy formula as a function of number density for a system of identical boson hard spheres, corrected for the reduced mass of a pair of particles in a "sphere-of-influence" picture, and generalized to fermion hard-sphere systems with two and four intrinsic degrees of freedom, has a double-pole at the ultimate regular (or periodic, e.g., face-centered-cubic) close-packing density usually associated with a crystalline branch. Improved fluid branches are constructed based upon exact, field-theoretic perturbation-theory low-density expansions for many-boson and many-fermion systems, extrapolated to intermediate densities via Padé and other approximants, but whose ultimate density is irregular or random closest close-packing as suggested in studies of a classical system of hard spheres. Results show substantially improved agreement with the best available Green-function Monte Carlo and diffusion Monte Carlo simulations for bosons, as well as with ladder, variational Fermi hypernetted chain, and so-called L -expansion data for two-component fermions.
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.
In this paper properties of a boson gas at zero temperature are investigated by means of field-theoretic methods. Difficulties arising from the depletion of the ground state are resolved in a simple way by the elimination of the zero-momentum state. The result of this procedure when applied to the calculation of the Green's functions of the system is identical to that of Beliaev. It is then shown generally that for a repulsive interaction the energy E(k)E(\mathrm{k})E(k) of a phonon of momentum k, which is found as the pole of a one-particle Green's function, approaches zero for zero momentum, which means that the phonon spectrum does not exhibit an energy gap.The Green's function method is applied to the calculation of the properties of a low-density boson gas. The next order term beyond that calculated by Lee and Yang, and Beliaev for the ground-state energy is obtained and the general form of the series expansion is found to be $(\frac{{E}_{0}}{\ensuremath{\Omega}})=\frac{1}{2}{n}^{2}{f}_{0}[1+a{(n{{f}_{0}}^{3})}^{\frac{1}{2}}+b(n{{f}_{0}}^{3})\mathrm{ln}n{{f}_{0}}^{3}+c(n{{f}_{0}}^{3})+d{(n{{f}_{0}}^{3})}^{\frac{3}{2}}\mathrm{ln}(n{{f}_{0}}^{3})+\ensuremath{\cdots}],$ where nnn is the density and f0{f}_{0}f0​ is the scattering length for the assumed two-body interaction between the bosons. The coefficients aaa and bbb are independent of the shape of the interaction, and are the only terms thus far calculated. The coefficient bbb is in agreement with the hard-sphere gas calculations of Wu and of Sawada.A discussion is given of the intermediate-density calculation of Brueckner and Sawada, and certain possible improvements in the method of summing a selected set of higher-order terms are proposed.
The ground state of a charged Bose gas is studied throughout a large range of densities in a self-consistent-field approximation formalism which includes the short-range correlations between bosons through a local-field correction. Numerical self-consistent calculations have been carried out in order to determine the static structure factor $S(\stackrel{\ensuremath{\rightarrow}}{\mathrm{q}})$. Hence, from $S(\stackrel{\ensuremath{\rightarrow}}{\mathrm{q}})$ we have obtained the pair-correlation functions, the ground-state energy which essentially is the correlation energy, the pressure of the gas, and, from Feynman's relation, the energy spectrum of elementary excitations. The response of the system to a static impurity charge has also been investigated. In the high-density limit our calculations show the same results as those given by Bogoliubov's perturbation theory. In the intermediate-density region, corresponding to the strongly coupled system, our results are in very good agreement with recent calculations based on the hypernetted-chain integral equation as well as Monte Carlo computations.
We develop a variational theory for the determination of the ground-state properties of an inhomogeneous Bose fluid at zero temperature. Euler-Lagrange equations are derived for the one- and two-body correlations, and systematic approximation methods are physically motivated. It is shown that the optimized variational method provides a self-consistent approximate summation of ladder and ring diagrams. Numerical applications are presented for the density profile, distribution functions, energy, and chemical potential of films of 4He^{4}\mathrm{He}4He atoms. Both the bulk and surface energies are calculated and found to be in fair agreement with experiments.
We describe a diagrammatic calculation of the condensate fraction of dense and strongly interacting Bose systems at zero temperature using the framework of parquet theory. Starting from the proper self-energy of parquet theory we perform a major rearrangement of diagrams to ensure proper counting and to express the final result in terms of well-behaved quantities. A number of interesting limiting cases are considered, in particular the hard sphere Bose gas at low densities where analytical results can be obtained. The present formalism is well-suited for extension to finite temperatures, and we consider possible strategies in that direction. \textcopyright{} 1996 The American Physical Society.