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Physical Review A

Test of a general symmetry-derived N -body wave function

Martin Dunn, W. Blake Laing, Derrick Toth, D. K. Watson

Published Dec 11, 2009• 12 citations
Publisher

Abstract

The resources required to solve the general interacting quantum $N$-body problem scale exponentially with $N$, making the solution of this problem very difficult when $N$ is large. In a previous series of papers we develop an approach for a fully interacting wave function for a confined system of identical bosons with a general two-body interaction. This method tames the $N$ scaling by developing a perturbation series that is order-by-order invariant under a point group isomorphic with ${S}_{N}$. Group theory and graphical techniques are then used to solve for the wave function exactly and analytically at each order, yielding a solution for the general $N$-body problem which scales as ${N}^{0}$ at any given order. Recently this formalism has been used to obtain the first-order fully interacting wave function for a system of harmonically confined bosons interacting harmonically. In this paper, we report the application of this $N$-body wave function to a system of $N$ fully interacting bosons in three dimensions. We derive an expression for the density profile for a confined system of harmonically interacting bosons. Choosing this simple interaction is not necessary or even advantageous for our method, however this choice allows a direct comparison of our exact results through first order with exact results obtained in an independent solution. Our density profile for the wave function through first order in three dimensions is indistinguishable from the first-order exact result obtained independently and shows strong convergence to the exact result to all orders.

DOI
10.1103/physreva.80.062108

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The resources required to solve the general interacting quantum NNN-body problem scale exponentially with NNN, making the solution of this problem very difficult when NNN is large. In a previous series of papers we develop an approach for a fully interacting wave function for a confined system of identical bosons with a general two-body interaction. This method tames the NNN scaling by developing a perturbation series that is order-by-order invariant under a point group isomorphic with SN{S}_{N}SN​. Group theory and graphical techniques are then used to solve for the wave function exactly and analytically at each order, yielding a solution for the general NNN-body problem which scales as N0{N}^{0}N0 at any given order. Recently this formalism has been used to obtain the first-order fully interacting wave function for a system of harmonically confined bosons interacting harmonically. In this paper, we report the application of this NNN-body wave function to a system of NNN fully interacting bosons in three dimensions. We derive an expression for the density profile for a confined system of harmonically interacting bosons. Choosing this simple interaction is not necessary or even advantageous for our method, however this choice allows a direct comparison of our exact results through first order with exact results obtained in an independent solution. Our density profile for the wave function through first order in three dimensions is indistinguishable from the first-order exact result obtained independently and shows strong convergence to the exact result to all orders.
The resources required to solve the general interacting quantum N-body problem scale exponentially with N, making the solution of this problem very difficult when N is large. In a previous series of papers we develop an approach for a fully-interacting wave function with a general two-body interaction which tames the N-scaling by developing a perturbation series that is order-by-order invariant under a point group isomorphic with S_N . Group theory and graphical techniques are then used to solve for the wave function exactly and analytically at each order. Recently this formalism has been used to obtain the first-order, fully-interacting wave function for a system of harmonically-confined bosons interacting harmonically. In this paper, we report the first application of this N-body wave function to a system of N fully-interacting bosons in three dimensions. We determine the density profile for a confined system of harmonically-interacting bosons. Choosing this simple interaction is not necessary or even advantageous for our method, however this choice allows a direct comparison of our exact results through first order with exact results obtained in an independent solution. Our density profile through first-order in three dimensions is indistinguishable from the first-order exact result obtained independently and shows strong convergence to the exact result to all orders.
Group theoretic and graphical techniques are used to derive the N-body wave function for a system of identical bosons with general interactions through first-order in a perturbation approach. This method is based on the maximal symmetry present at lowest order in a perturbation series in inverse spatial dimensions. The symmetric structure at lowest order has a point group isomorphic with the SN group, the symmetric group of N particles, and the resulting perturbation expansion of the Hamiltonian is order-by-order invariant under the permutations of the SN group. This invariance under SN imposes severe symmetry requirements on the tensor blocks needed at each order in the perturbation series. We show here that these blocks can be decomposed into a basis of binary tensors invariant under SN. This basis is small (25 terms at first order in the wave function), independent of N, and is derived using graphical techniques. This checks the N6 scaling of these terms at first order by effectively separating the N scaling problem away from the rest of the physics. The transformation of each binary tensor to the final normal coordinate basis requires the derivation of Clebsch–Gordon coefficients of SN for arbitrary N. This has been accomplished using the group theory of the symmetric group. This achievement results in an analytic solution for the wave function, exact through first order, that scales as N0, effectively circumventing intensive numerical work. This solution can be systematically improved with further analytic work by going to yet higher orders in the perturbation series.
Confined quantum systems involving NNN identical interacting particles are to be found in many areas of physics, including condensed-matter, atomic, and chemical physics. A beyond-mean-field perturbation method that is applicable, in principle, to weakly, intermediate, and strongly interacting systems has been set forth by the authors in a previous series of papers. Dimensional perturbation theory was used, and in conjunction with group theory, an analytic beyond-mean-field correlated wave function at lowest order for a system under spherical confinement with a general two-body interaction was derived. In the present paper, we use this analytic wave function to derive the corresponding lowest-order, analytic density profile and apply it to the example of a Bose-Einstein condensate.
Confined quantum systems involving NNN identical interacting fermions are found in many areas of physics, including condensed matter, atomic, nuclear, and chemical physics. In a previous series of papers, a many-body perturbation method that is applicable to both weakly and strongly interacting systems of bosons has been set forth by the author and coworkers. A symmetry-invariant perturbation theory was developed that uses group theory coupled with the dimension of space as the perturbation parameter to obtain an analytic correlated wave function through first order for a system under spherical confinement with a general two-body interaction. In the present paper, we extend this formalism to large systems of fermions, circumventing the numerical demands of applying the Pauli principle by enforcing the Pauli principle on paper. The method does not scale in complexity with NNN and has minimal numerical cost. We apply the method to a unitary Fermi gas and compare to recent Monte Carlo values.
We discuss a basis set developed to calculate perturbation coefficients in an expansion of the general N -body problem. This basis has two advantages. First, the basis is complete order-by-order for the perturbation series. Second, the number of independent basis tensors spanning the space for a given order does not scale with N , the number of particles, despite the generality of the problem. At first order, the number of basis tensors is 25 for all N , i.e. the problem scales as N 0 , although one would initially expect an N 6 scaling at first order. The perturbation series is expanded in inverse powers of the spatial dimension. This results in a maximally symmetric configuration at lowest order which has a point group isomorphic with the symmetric group, S N . The resulting perturbation series is order-by-order invariant under the N ! operations of the S N point group which is responsible for the slower than exponential growth of the basis. In this paper, we demonstrate the completeness of the basis and perform the first test of this formalism through first order by comparing to an exactly solvable fully interacting problem of N particles with a two-body harmonic interaction potential.
Confined quantum systems involving NNN identical interacting fermions are found in many areas of physics, including condensed matter, atomic, nuclear and chemical physics. In a previous series of papers, a manybody perturbation method that is applicable to both weakly and strongly-interacting systems of bosons has been set forth by the author and coworkers. A symmetry invariant perturbation theory was developed which uses group theory coupled with the dimension of space as the perturbation parameter to obtain an analytic correlated wave function through first order for a system under spherical confinement with a general two-body interaction. In the present paper, we extend this formalism to large systems of fermions, circumventing the numerical demands of applying the Pauli principle by enforcing the Pauli principle on paper. The method does not scale in complexity with NNN and has minimal numerical cost. We apply the method to a unitary Fermi gas and compare to recent Monte Carlo values.