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arXiv:1810.01261 · Physical review. D/Physical review. D.

Variational approach to N -body interactions in finite volume

Peng Guo, M. Döring, Adam P. Szczepaniak

Published Nov 8, 2018• 56 citations
arXivHTMLPDF

Abstract

We explore a variational approach to the finite-volume $N$-body problem. The general formalism for $N$ nonrelativistic spinless particles interacting with periodic pairwise potentials yields $N$-body secular equations. The solutions depend on the infinite-volume $N$-body wave functions. Given that the infinite-volume $N$-body dynamics may be solved by the standard Faddeev approach, the variational $N$-body formalism can provide a convenient numerical framework for finding discrete energy spectra in periodic lattice structures.

DOI
10.1103/physrevd.98.094502

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We explore a variational approach to the finite-volume NNN-body problem. The general formalism for NNN nonrelativistic spinless particles interacting with periodic pairwise potentials yields NNN-body secular equations. The solutions depend on the infinite-volume NNN-body wave functions. Given that the infinite-volume NNN-body dynamics may be solved by the standard Faddeev approach, the variational NNN-body formalism can provide a convenient numerical framework for finding discrete energy spectra in periodic lattice structures.
The present paper is devoted to the study of the few–body quantum mechanical problem with singular finite rank cluster interactions. The corresponding Hamiltonians play an important role in mathematical physics, since few body Hamiltonians with more regular interactions present considerable difficulties which make impossible a detailed analytic study [ 13 ]. Also a numerical study of such Hamiltonians using Faddeev equations present very hard problems, since the interaction between the particles does not vanish at large distances. On the other hand few-body problems with singular cluster interaction are useful and intensively studied in statistical physics, since the corresponding Hamiltonians can be analyzed in detail even if the number of particles is very large. Models describing one dimensional particles are of particular interest, since the eigenfunctions of the many body Hamiltonians can often be calculated using Bethe Ansatz [ 14 ]. In fact the well-known Yang-Baxter equation was first written in connection with the study of system of several one-dimensional particles with pairwise delta interactions. Similar methods were used in atomic physics to study collisions of several particles [ 12 ] (in three dimensions). Few-body systems in applications are usually investigated by combining the classical description of the dynamics of heavy atoms with the quantum description of the dynamics of electrons and other light particles. The first attempt to construct a three body Hamiltonian describing three quantum particles in R 3 interacting through pairwise delta functional potentials is due to G.V. Skorniakov and K.A.Ter-Martirosian [ 29 ]. R.A.Minlos and L.D.Faddeev proved that the corresponding Hamiltonian is not bounded from below and therefore cannot be used in 278 the originally intended physical applications [ 24 , 25 ]. The operator was defined using the method of self–adjoint perturbations used by F.A.Berezin and L.D.Faddeev for investigating Schödinger operators with delta potential in R 3 [ 10 ]. Almost three decades later semibounded three-body operators in dimension three with generalized two-body interactions were constructed by extending the standard Hilbert space of square integrable functions in R 9 [ 17 , 18 , 19 , 27 , 30 ]. The most interesting model considered used the theory of generalized extensions suggested by B.Pavlov [ 7 , 26 ]. Different aspects of these models were analyzed recently [ 8 , 23 , 20 ]. A general approach to these operators is described in [ 7 , 22 ]. Let us mention that a realization of a many-body lower bounded Hamiltonian with point interactions for particles in R 3 has been obtained in the original Hilbert space by using the theory of Dirichlet forms [ 2 ]. The few-body systems of two dimensional particles with two-body interactions was studied in [ 11 ], where it was proven that the corresponding Hamiltonian is semibounded.
Integral equations of the Watson-Faddeev type, developed in the context of few-body nonrelativistic scattering theory, are shown to play an important role in the structure analysis of many-body Green's functions and in variational techniques for the approximate determination of these Green's functions. Such equations sum up an infinite chain of few-body correlations. Those correlations which are not of this form, i.e., the intrinsic many-body correlations, are accounted for by the appearance of an effective (or "renormalized") interaction, as can be seen by direct transformation of the exact Martin-Schwinger equations for the Green's functions. For a given choice of effective interaction, the few-body correlation functions must be determined self-consistently. The Schwinger variational principle, originally developed for linear integral equations, is nevertheless the key element in a variational formulation of the nonlinear equations encountered here. For simplicity we confine our attention to equations which determine the two-body Green's function, although the entire procedure can be generalized to higher orders.
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.
Cluster expansion of the many-body Schr\"odinger wave function is manifested through the projected Faddeev-Yakubovsky equations. It is shown that using these equations one can formulate a systematic expansion for the wave function of finite systems in a translational invariant manner. The solution of the N-body problem at a given order becomes equivalent to solving the few-body Faddeev-Yakubovsky equations. The first two orders in this expansion are given explicitly and then solved for the case of N bosons interacting through the nucleon-nucleon Afnan-Tang S3 and Malfliet-Tjon MT-V potentials.
The general form of the energy of the ground state of a many-fermion system is shown to be exactly of the form proposed by Brueckner and Bethe, without approximation. In a variational treatment, if the trial wave function is picked containing only pair correlations, together with all possible unlinked pairs, it is described by a two-body excitation matrix 〈m1m2∣A∣p1p2〉〈{m}_{1}{m}_{2}|A|{p}_{1}{p}_{2}〉〈m1​m2​∣A∣p1​p2​〉. Variation of this matrix in the Ritz-Rayleigh principle yields a set of integral equations of the scattering type for the matrix AAA. Hole-state energies are given self-consistently in terms of the matrix AAA, but particle-state energies are Hartree-Fock energies. This may be corrected for by widely enlarging the class of terms admitted into the wave function. If the approximation is then made of omitting a class of terms, defined as cross-linked clusters in $〈\ensuremath{\psi}|H|\ensuremath{\psi}〉$, the particle-state energies are easily renormalized. Variation then leads to an infinite hierarchy of integral equations.