The energy and structure of dilute gases of hard spheres in three dimensions is discussed, together with some aspects of the corresponding 2D systems. A variational approach in the framework of the Hypernetted Chain Equations (HNC) is used starting from a Jastrow wavefunction that is optimized to produce the best two–body correlation factor with the appropriate long range. Relevant quantities describing static properties of the system are studied as a function of the gas parameter x = ρa d where ρ, a and d are the density, s–wave scattering length of the potential and dimensionality of the space, respectively. The occurrence of a maximum in the radial distribution function and in the momentum distribution is a natural effect of the correlations when x increases. Some aspects of the asymptotic behavior of the functions characterizing the structure of the systems are also investigated. PACS numbers: 03.75.Hh, 05.30.Jp, 67.40.Db. 1.
The energy and structure of dilute hard- and soft-sphere Bose gases are systematically studied in the framework of several many-body approaches, such as the variational correlated theory, the Bogoliubov model, and the uniform limit approximation, valid in the weak-interaction regime. When possible, the results are compared with the exact diffusion Monte Carlo ones. Jastrow-type correlation provides a good description of the systems, both hard- and soft-spheres, if the hypernetted chain energy functional is freely minimized and the resulting Euler equation is solved. The study of the soft-sphere potentials confirms the appearance of a dependence of the energy on the shape of the potential at gas paremeter values of $x\ensuremath{\sim}0.001.$ For quantities other than the energy, such as the radial distribution functions and the momentum distributions, the dependence appears at any value of x. The occurrence of a maximum in the radial distribution function, in the momentum distribution, and in the excitation spectrum is a natural effect of the correlations when x increases. The asymptotic behaviors of the functions characterizing the structure of the systems are also investigated. The uniform limit approach is very easy to implement and provides a good description of the soft-sphere gas. Its reliability improves when the interaction weakens.
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, where
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, 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 (${r}_{s}\ensuremath{\gg}1$).
A dilute homogeneous two-dimensional (2D) Bose gas at zero temperature is studied with the method developed earlier by the authors. This method allows for considering renormalization of an arbitrary pairwise potential in a self-consistent manner, without the pseudopotential delta-function representation. Low-density expansions are derived for the chemical potential, ground-state energy, pair distribution function, kinetic and interaction energies. The expansion parameter is found to be a dimensionless in-medium scattering amplitude u obeying the equation 1/u+ln u=-ln(na(2)pi)-2gamma, where na(2) and gamma are the gas parameter and the Euler constant, respectively. It is shown that the ground-state energy is mostly kinetic in the low-density limit. This result does not depend on a specific form of the pairwise interaction potential, contrary to the 3D case. A new form of the 2D Gross-Pitaevskii equation is proposed within our scheme.
Several properties of trapped hard-sphere bosons are evaluated using variational Monte Carlo techniques. A trial wave function composed of a renormalized single-particle Gaussian and a hard-sphere Jastrow function for pair correlations is used to study the sensitivity of condensate and noncondensate properties to the hard-sphere radius and the number of particles. Special attention is given to diagonalizing the one-body density matrix and obtaining the corresponding single-particle natural orbitals and their occupation numbers for the system. The condensate wave function and condensate fraction are then obtained from the single-particle orbital with the highest occupation. The effect of interaction on other quantities such as the ground-state energy, the mean radial displacement, and the momentum distribution is calculated as well. Results are compared with mean-field theory in the dilute limit.
The ground state of a many-boson system is studied within the range of the Bijl-Dingle-Jastrow-type description when the radial distribution function
g(r) differs little from its asymptotic value. The treatment of the problem is based on the development of power series in $\ensuremath{\alpha}=1\ensuremath{-}g(0)$ for all physical quantities which depend on the particle density. The
n-particle distribution functions
p(n) are evaluated to order ${\ensuremath{\alpha}}^{4}$ as functionals in the
g(r) function for
n=3and4 using the cluster-expansion procedure outlined by Abe. These results are used in connection with the improvement of the ground-state description when the wave function is not the optimum choice. Using
p(3) function obtained, the Bogoliubov-Born-Green-Kirkwood-Yvon equation is solved, also to order ${\ensuremath{\alpha}}^{4}$, for the two-particle correlation function
U(r), and the first two leading corrections to the hypernetted-chain (HNC) approximation are obtained. The variational calculation along with the series expansion for
U(r) yields formulas for the ground-state properties, including some corrections to known results. For a charged boson gas, numerical values of
U(r),
p(3),
p(4), and the ground-state energy are computed using the Gaussian approximation for
g(r), and the results show that the errors associated with the HNC approximation are small. A brief discussion is presented on the method of determining the general expansion coefficients of the correlation functions of
p(n) in terms of
g(r).