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Journal of Mathematical Physics

Ground-State Many-Boson Problem with Repulsive Potentials

Leonard J. Eyges

Published Apr 1, 1969• 0 citations
Publisher

Abstract

We extend to the N-body case previous techniques for solving three-body problems with repulsive interparticle potentials and periodic boundary conditions on each particle. For clarity, we begin with one-dimensional problems, although the techniques are not peculiar to them and can be generalized to three dimensions. We decompose the wavefunction ψ into N(N − 1)/2 parts, according to Ψ= ∑ i<j=1Nψij;from the Schrödinger equation we find a basic equation for a typical ψij. As a test of this equation, we apply it for N = 4 and the case of δ-function interactions, and solve it numerically to find close agreement between the energy per particle of a four-body system and a system of the same density in which N → ∞. The numerical results are consistent with the analytic one that Eg(∞), which is the ground-state energy per particle of the system with an infinite number of particles, is related to Eg(N), which is that energy for the N-body system of the same density, by Eg(N) = Eg(∞)[1 − (1/N)] for weak repulsion and by Eg(N) = Eg(∞)[1 − (1/N2)] for very strong repulsion. We begin a similar comparison for the three-dimensional hard-sphere case by working out the problem of two hard spheres with periodic boundary conditions over a length L2 such that the density is the same as for an N-body problem in volume V=LN3:2/L23=N/LN3. We find that we get the analog of the one-dimensional result, for which case Eg(2) = Eg(∞)/2 for N = 2. That is, we find Eg(2) = πa2h/mv, which is just one-half of the many-body theory result. We also calculate the two-body correlation function and find good agreement with the many-body one, as calculated by Lee, Huang, and Yang.

DOI
10.1063/1.1664890

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We extend to the N-body case previous techniques for solving three-body problems with repulsive interparticle potentials and periodic boundary conditions on each particle. For clarity, we begin with one-dimensional problems, although the techniques are not peculiar to them and can be generalized to three dimensions. We decompose the wavefunction ψ into N(N − 1)/2 parts, according to Ψ= ∑ i<j=1Nψij;from the Schrödinger equation we find a basic equation for a typical ψij. As a test of this equation, we apply it for N = 4 and the case of δ-function interactions, and solve it numerically to find close agreement between the energy per particle of a four-body system and a system of the same density in which N → ∞. The numerical results are consistent with the analytic one that Eg(∞), which is the ground-state energy per particle of the system with an infinite number of particles, is related to Eg(N), which is that energy for the N-body system of the same density, by Eg(N) = Eg(∞)[1 − (1/N)] for weak repulsion and by Eg(N) = Eg(∞)[1 − (1/N2)] for very strong repulsion. We begin a similar comparison for the three-dimensional hard-sphere case by working out the problem of two hard spheres with periodic boundary conditions over a length L2 such that the density is the same as for an N-body problem in volume V=LN3:2/L23=N/LN3. We find that we get the analog of the one-dimensional result, for which case Eg(2) = Eg(∞)/2 for N = 2. That is, we find Eg(2) = πa2h/mv, which is just one-half of the many-body theory result. We also calculate the two-body correlation function and find good agreement with the many-body one, as calculated by Lee, Huang, and Yang.
We extend a method previously presented for the three-body problem with attractive interparticle potentials to the case of repulsive interparticle potentials, with periodic boundary conditions on each particle. As before, we decompose the wave function into three parts, and from the Schrödinger equation write equations for these parts. We observe that, in one-dimension and for δ-function potentials,these equations can be easily solved numerically, and we present these solutions for potential“strengths” ranging from zero to infinity. We then discuss a more general method for solving these equations, which method involves expansions in a certain set of two-body functions. This general method is not necessarily limited to either one dimension or δ-function potentials, but, as a check on it, we do apply it to that case and get good agreement with the previous numerical results. As a further exploration of the method, we apply it to square well potentials in one dimension. In an Appendix we discuss the set of two-body functions that we use.
We solve the three-boson problem with contact two-and three-body interactions in one dimension and analytically calculate the ground and excited trimer-state energies.Then, by using the diffusion Monte Carlo technique we calculate the binding energy of three dimers formed in a one-dimensional Bose-Bose or Fermi-Bose mixture with attractive interspecies and repulsive intraspecies interactions.Combining these results with our three-body analytics, we extract the three-dimer scattering length close to the dimer-dimer zero crossing.In both considered cases the three-dimer interaction turns out to be repulsive.Our results constitute a concrete proposal for obtaining a one-dimensional gas with a pure three-body repulsion.
A many-body pseudopotential for a hard-sphere system which is mathematically equivalent to the boundary conditions imposed on the wave functions is obtained as a generalization of Huang and Yang's binary pseudopotential, and the lowest order term of the ground state energy resulting from the triple collision is calculated for the Bose system. Instead of the direct perturbational treatment of the pseudopotential, the use of the ρk-representation for the Bose system is proposed and the ground state energy is calculated in this representation. It is shown that the energy thus calculated is of the form of an expansion in powers of (ρa3)1/2, where ρ is the average density and a the hard-sphere diameter, which is agreement with Lee and Yang's conclusion drawn from the binary collision expansion method. Some discussions associated with the roton spectrum of liquid He4 are given.
A density-functional theory for many-body lattice models is considered in which the single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy functional $W[{\ensuremath{\gamma}}_{\mathrm{ij}}].$ $W[{\ensuremath{\gamma}}_{\mathrm{ij}}]$ is expressed as the sum of Hartree-Fock energy ${E}_{\mathrm{HF}}[{\ensuremath{\gamma}}_{\mathrm{ij}}]$ and the correlation energy ${E}_{C}[{\ensuremath{\gamma}}_{\mathrm{ij}}].$ Exact results are obtained for ${E}_{C}({\ensuremath{\gamma}}_{12})$ of the Hubbard model on various periodic lattices, where ${\ensuremath{\gamma}}_{\mathrm{ij}}={\ensuremath{\gamma}}_{12}$ for all nearest neighbors i and j. The functional dependence of ${E}_{C}({\ensuremath{\gamma}}_{12})$ is analyzed by varying the number of sites Na,{N}_{a},Na​, band filling Ne,{N}_{e},Ne​, and lattice structure. The infinite one-dimensional chain and one-, two-, or three-dimensional finite clusters with periodic boundary conditions are considered. The properties of ${E}_{C}({\ensuremath{\gamma}}_{12})$ are discussed in the limits of weak $({\ensuremath{\gamma}}_{12}\ensuremath{\simeq}{\ensuremath{\gamma}}_{12}^{0})$ and strong $({\ensuremath{\gamma}}_{12}\ensuremath{\simeq}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}})$ electronic correlations, and in the crossover region $({\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}}<~{\ensuremath{\gamma}}_{12}<~{\ensuremath{\gamma}}_{12}^{0}).$ Using an appropriate scaling we observe that ${\ensuremath{\varepsilon}}_{C}{(g}_{12}{)=E}_{C}{/E}_{\mathrm{HF}}$ has a pseudo-universal behavior as a function of ${g}_{12}=({\ensuremath{\gamma}}_{12}\ensuremath{-}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}})/({\ensuremath{\gamma}}_{12}^{0}\ensuremath{-}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}}).$ The fact that ${\ensuremath{\varepsilon}}_{C}{(g}_{12})$ depends weakly on Na,{N}_{a},Na​, Ne,{N}_{e},Ne​, and lattice structure suggests that the correlation energy of extended systems could be obtained quite accurately from finite-cluster calculations. Finally, the behaviors of ${E}_{C}({\ensuremath{\gamma}}_{12})$ for repulsive (U>0)(U>0)(U>0) and attractive (U<0)(U<0)(U<0) interactions are contrasted.
We construct an eigenvalue problem by confining many-body system to a bounded domain with the boundary condition that the wave function vanishes. By changing the boundary, however, the eigenvalues of the energy can be varied continuously. The D-matrix is defined for a series of bounded problems with the same value for the ground state energy. The D-matrix is related to the S-matrix, enabling us to calculate the S-matrix at a given energy. The Schrodinger equation for the system is transformed to a diffusion equation by regarding time as imaginary. Initial ensemble, representing an approximate wave function, is evolved, through Monte Carlo simulation of random walks and branching, to the ground state ensemble. The limitations of investigation are: 1. Ingoing and outgoing channels have two fragments. 2. The interaction between the fragments is negligible outside the boundary mentioned above. 3. The particles are bosons or we know the zeros of the wave function. First we consider the scattering of a particle by a potential, which is equivalent to the two-body problem, in one dimension. Here we use the Poschl-Teller potential for which the exact solution is known. We use this case to investigate a new sampling method and study of various parameters. Next we consider three particles in one dimension. Here we take interaction to be a potential well, where at least one of the interactions is attractive so that a two-body bound state is possible.
The method of self-consistent-field approximation is applied for the study of the ground-state properties of a one-dimensional system of bosons, of density $\ensuremath{\rho}$, first interacting through finite rigid rods, of length lll, and again via a repulsive $\ensuremath{\delta}$-function potential. We obtain the energy spectrum and the sound velocity. The results are close to the exact one for $\ensuremath{\rho}l<0.5$. The energy spectrum obtained shows a rotonlike region which is qualitatively similar to the two- and three-dimensional versions. For a Bose gas interacting through a repulsive $\ensuremath{\epsilon}$ potential of strength 2c2c2c, we derive the energy spectrum, the sound velocity, and the ground-state energy. The results are compared with Girardeau and Lieb's exact expressions. In the small-coupling limit our calculations show the same results as obtained by Bogoliubov's perturbation theory. The ground-state energy obtained for small $\ensuremath{\gamma}=\frac{c}{\ensuremath{\rho}}$ is found to agree closely with several different works found in the literature. Unfortunately our theory diverges for the ground-state energy in the limit $\ensuremath{\gamma}\ensuremath{\rightarrow}\ensuremath{\infty}$. The sound velocity in this limit is finite but twice as small as from Girardeau's exact results.