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Journal of Mathematical Physics

Approximate representations of a local current algebra

Ralph Menikoff, David H. Sharp

Published Dec 1, 1975• 3 citations
Publisher

Abstract

An approximate method for dealing with nonrelativistic many-body quantum systems having short range interactions is developed using local currents. The scheme is based on determining approximate representations of subalgebras of the local currents. This mathematical framework is used to discuss several approximation schemes.
DOI
10.1063/1.522496

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Local currents are used to describe nonrelativistic many-body quantum mechanics in the thermodynamic limit. The problem of determining a representation of the local currents corresponding to a given Hamiltonian is studied. We formulate the dynamics in such a way that one solves simultaneously for the ground state and the representation of the local currents. This leads to two coupled functional equations relating the generating functional to a functional which describes the ground state. Together these functionals determine a representation of the local currents in which the Hamiltonian is a well-defined operator. The functional equations are equivalent to a set of integro–differential equations for expansion coefficients of the two functionals.
Coupled-cluster methods offer unprecedented accuracy for a wide range of chemically important properties, but the steep scaling of computational cost with system size makes widespread use challenging. Local approximations, building on the short-range nature of electron correlation effects in insulators, help a great deal, but are much more complicated than their canonical counterparts. In this work we discuss an automated implementation scheme for local coupled-cluster methods, based on an interpreter and an underlying representation of sparse tensors. We demonstrate the efficacy of the approach through implementation of a very wide range of singles-and-doubles-based coupled-cluster schemes.
Representations will be given for the nonrelativistic local current algebra consisting of ρ(x), the particle number density, and J(x), the flux density of particles. These representations correspond to the N/V limit of (i) a free Bose gas, (ii) Bose gas in an external potential, (iii) free Fermi gas, and (iv) Bose gas (in one dimension) with a two-body interaction potential V(x)=2/x2. In each case the generating functional L(f), the ground state expectation value of exp[iρ(f)], determining the representation will be given. It will also be shown the generating functional satisfies a functional equation of the form [∇ − i∇f(x)](1/i) [δ/δf(x)]L (f) = A(x, (1/i)(δ/δf))L(f) and that the Hamiltonian written in terms of ρ and J has the form H = (1/8)∫dxK̃(x)† [1/ρ(x)] K̃(x) with K̃(x)=∇ρ(x) +2iJ(x)−A(x,ρ).
This work reviews recent advances in the analytical treatment of the continuum spectrum of correlated few-body non-relativistic Coulomb systems. The exactly solvable two-body problem serves as an introduction to the non-separable three-particle system. For the latter case we discuss the existence of an approximate separability of the long and the short-range dynamics which is exposed in an appropriately chosen curvilinear coordinates. The three-body wave functions of the long-ranged part of the Hamiltonian are derived and methods are presented to account approximately for the short-ranged dynamics. Furthermore, we present a generalization of the methods employed for the derivation of the three-body wave functions to the scattering states of NNN charged particles. To deal with thermodynamic properties of finite systems we develop and discuss a recent Green function methodology designed for the non-perturbative regime. In addition, we give a brief account on how thermodynamic properties and critical phenomena can be exposed in finite interacting systems.