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Physical Review A

Ground state of the strongly coupled, charged Bose gas

Jean-Pierre Hansen, Redha Mazighi

Published Sep 1, 1978• 40 citations
Publisher

Abstract

Using a Jastrow trial wave function and the hypernetted-chain integral equation, as well as Monte Carlo computations, to calculate energy expectation values, we have obtained a variational upper bound to the ground-state energy of the charged Bose gas over an extensive range of densities. In the high-density region our data are in good agreement with previous weak-coupling results. In the low-density (strong-coupling) limit, comparison of our fluid energies with the self-consistent phonon calculations of Glyde and Keech in the solid allow us to locate the Wigner transition for charged bosons at ${r}_{s}=139$, where ${r}_{s}$ is the usual density parameter. We propose a simple and accurate equation of state based on our numerical data. Furthermore, we find that the Bose condensate fraction drops from a value of about 80% at ${r}_{s}=2$, to a small but finite value (\ensuremath{\sim}1%) at crystallization. Finally we use our results for the charged Bose gas to derive a heuristic equation of state of the electron gas in the strong-coupling limit (${r}_{s}\ensuremath{\gg}1$).

DOI
10.1103/physreva.18.1282

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Using a Jastrow trial wave function and the hypernetted-chain integral equation, as well as Monte Carlo computations, to calculate energy expectation values, we have obtained a variational upper bound to the ground-state energy of the charged Bose gas over an extensive range of densities. In the high-density region our data are in good agreement with previous weak-coupling results. In the low-density (strong-coupling) limit, comparison of our fluid energies with the self-consistent phonon calculations of Glyde and Keech in the solid allow us to locate the Wigner transition for charged bosons at rs=139{r}_{s}=139rs​=139, where rs{r}_{s}rs​ is the usual density parameter. We propose a simple and accurate equation of state based on our numerical data. Furthermore, we find that the Bose condensate fraction drops from a value of about 80% at rs=2{r}_{s}=2rs​=2, to a small but finite value (\ensuremath{\sim}1%) at crystallization. Finally we use our results for the charged Bose gas to derive a heuristic equation of state of the electron gas in the strong-coupling limit (rs\ensuremath≫1{r}_{s}\ensuremath{\gg}1rs​\ensuremath≫1).
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.
The ground-state energy of the charged Bose gas is calculated by the pair-correlation variational method of Girardeau and Arnowitt. The method is exact in the high-density limit (${r}_{s}\ensuremath{\ll}1$) and provides a variational extrapolation to intermediate densities. The leading terms of the high-density expansion, obtained by iteration of the variational integral equation, are ${u}_{0}=\ensuremath{-}0.804{{r}_{s}}^{\ensuremath{-}\frac{3}{4}}\ensuremath{-}(\frac{1}{8})\mathrm{ln}{r}_{s}+O(1)$, where u0{u}_{0}u0​ is the ground-state energy per particle in Rydbergs and rs{r}_{s}rs​ is the ratio of the mean interparticle spacing to the Bohr radius. The first term was obtained previously by Foldy, but the logarithmic term is new; it is related to screening of the long-range correlations at a distance ${r}_{0}\ensuremath{\sim}{{r}_{s}}^{\ensuremath{-}\frac{1}{2}}{\ensuremath{\rho}}^{\ensuremath{-}\frac{1}{3}}$, in analogy with the logarithmic term in the correlation energy of the electron gas. Results of numerical solutions for the intermediate-density region are presented, ranging up to rs=10{r}_{s}=10rs​=10. On the basis of a comparison with the energy calculated from the known low-density expansion, it is estimated that the transition into Wigner's electron crystal (here a boson crystal) should occur at ${r}_{s}\ensuremath{\sim}5$.
The energy and structure of a dilute hard-disks Bose gas are studied in the framework of a variational many-body approach based on a Jastrow correlated ground-state wave function. The asymptotic behaviors of the radial distribution function and the one-body density matrix are analyzed after solving the Euler equation obtained by a free minimization of the hypernetted chain energy functional. Our results show important deviations from those of the available low density expansions, already at gas parameter values $x\ensuremath{\sim}0.001$. The condensate fraction in 2D is also computed and found generally lower than the 3D one at the same xxx.
In 1963, a Simple Approach was developed to study the ground state energy of an interacting Bose gas. It consists in the derivation of an Equation, which is not based on perturbation theory, and which gives the exact expansion of the energy at low densities. This Equation is expressed directly in the thermodynamic limit, and only involves functions of 333 variables, rather than 3N3N3N. Here, we revisit this approach, and show that the Equation yields accurate predictions for various observables for all densities. Specifically, in addition to the ground state energy, we have shown that the Simple Approach gives predictions for the condensate fraction, two-point correlation function, and momentum distribution. We have carried out a variety of tests by comparing the predictions of the Equation with Quantum Monte Carlo calculations, and have found remarkable agreement. We thus show that the Simple Approach provides a new theoretical tool to understand the behavior of the many-body Bose gas, not only in the small and large density ranges, which have been studied before, but also in the range of intermediate density, for which little is known.
We study the two-dimensional gas of charged bosons interacting via a logarithmic potential within the quantal hypernetted-chain approximation. The pair correlation function, the static structure factor, the ground-state energy, and the spectrum of collective excitations are calculated over a range of the density parameter rs.{r}_{s}.rs​. We find that the static and dynamical properties are described rather well in this approach in comparison to previous theories. Our results are in good agreement with the available quantum Monte Carlo simulations.
The dielectric function of a charged Bose gas is determined from the response to an imposed static sinusoidal electric field. Variational and diffusion quantum Monte Carlo simulations are used to calculate the ground-state properties of the system with trial wave functions containing a parameter dependent on the amplitude and wavelength of the perturbation. The induced charge is most efficiently extracted from the difference in ground-state energies at different magnitudes of the external field, rather than directly from the expectation value of the density fluctuation operator. Results are compared to the random-phase approximation for the weakly coupled fluid and to classical lattice values at low densities where the system forms a Wigner crystal. The dielectric function is also calculated at intermediate fluid densities and the transition from positive to negative response is found to occur in the metallic regime.