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arXiv:0902.3448

A Complete Basis for a Perturbation Expansion of the General N-Body Problem

W. Blake Laing, David W. Kelle, Martin Dunn, D. K. Watson

Published Feb 19, 2009• 0 citations
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Abstract

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 23 for all N although the problem at first order scales as N^6. 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 perform the first test of this formalism including the completeness of the basis through first order by comparing to an exactly solvable fully-interacting problem of N particles with a two-body harmonic interaction potential.

DOI
10.48550/arxiv.0902.3448

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We especially need imagination in science. aria Mitchell Summary The many-body problem consists of two parts: the first is the non-interacting system in a materials-specific external potential; the second is the Coulomb interaction that makes the problem so hard to solve. The most straightforward idea is to use perturbation theory, with the Coulomb interaction as perturbation. This is conceptually simple, but it turns out to be difficult in practice, since the Coulomb interaction is often not small compared with typical energy differences, it is long-ranged and in the thermodynamic limit there is an infinite number of particles, contributing with an infinite number of mutual interaction processes. The present chapter outlines how one can deal with this problem. It contains an overview of facts that one can also find in many standard textbooks on the many-body problem, but that are useful to keep in mind in order to look at later chapters from a sound and well-established perspective. The many-body problem is a tough one, and it has many facets. Sorting it out is like putting together a huge puzzle. The eight introductory chapters of this book provide pieces of the puzzle, and ideas on what one might do about it. In the present chapter we choose to go in one of the possible directions, in order to arrive at something tangible. The chapter gives the general framework and the main ideas; specific approximations are the topic of Chs. 10–15. The idea is to start from an independent-particle problem and add the Coulomb interaction as a perturbation. This is not easy: first, the interaction is responsible for a rich variety of phenomena that are completely absent otherwise, such as the finite lifetime of quasiparticles, or additional structures in spectra due to the fact that a quasi-particle excitation may transfer its energy to other elementary excitations, for example plasmons. Second, because of the two-body Coulomb interaction, the problem scales badly with the number of electrons, and straightforward perturbation theory for the many-body hamiltonian with the Coulomb interaction as perturbation rapidly becomes intractable or even useless, especially in large systems. To get started, Sec. 9.1 recalls why things are not so easy. The following sections try to solve one problem after the other, starting from Sec. 9.2 where the Green's function is reformulated in a way that is appropriate for a perturbation expansion.

Cambridge University Press eBooks•May 31, 2016•0 citations
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 23 for all N although the problem at first order scales as N^6. 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 perform the first test of this formalism including the completeness of the basis through first order by comparing to an exactly solvable fully-interacting problem of N particles with a two-body harmonic interaction potential.
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.
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.
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.
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 work required to solve for the fully interacting N boson wavefunction, which is widely believed to scale exponentially with N, has been previously shown to scale as N0 when the problem is rearranged using analytic building blocks. The exponential complexity reappears in an exponential scaling with the order of our perturbation series allowing exact analytical calculations for very large N systems through low order. In this paper, we analyse the growth in complexity with order when a normal mode basis is used.
We especially need imagination in science. aria Mitchell Summary The many-body problem consists of two parts: the first is the non-interacting system in a materials-specific external potential; the second is the Coulomb interaction that makes the problem so hard to solve. The most straightforward idea is to use perturbation theory, with the Coulomb interaction as perturbation. This is conceptually simple, but it turns out to be difficult in practice, since the Coulomb interaction is often not small compared with typical energy differences, it is long-ranged and in the thermodynamic limit there is an infinite number of particles, contributing with an infinite number of mutual interaction processes. The present chapter outlines how one can deal with this problem. It contains an overview of facts that one can also find in many standard textbooks on the many-body problem, but that are useful to keep in mind in order to look at later chapters from a sound and well-established perspective. The many-body problem is a tough one, and it has many facets. Sorting it out is like putting together a huge puzzle. The eight introductory chapters of this book provide pieces of the puzzle, and ideas on what one might do about it. In the present chapter we choose to go in one of the possible directions, in order to arrive at something tangible. The chapter gives the general framework and the main ideas; specific approximations are the topic of Chs. 10–15. The idea is to start from an independent-particle problem and add the Coulomb interaction as a perturbation. This is not easy: first, the interaction is responsible for a rich variety of phenomena that are completely absent otherwise, such as the finite lifetime of quasiparticles, or additional structures in spectra due to the fact that a quasi-particle excitation may transfer its energy to other elementary excitations, for example plasmons. Second, because of the two-body Coulomb interaction, the problem scales badly with the number of electrons, and straightforward perturbation theory for the many-body hamiltonian with the Coulomb interaction as perturbation rapidly becomes intractable or even useless, especially in large systems. To get started, Sec. 9.1 recalls why things are not so easy. The following sections try to solve one problem after the other, starting from Sec. 9.2 where the Green's function is reformulated in a way that is appropriate for a perturbation expansion.