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Europhysics Letters (EPL)

A Variational Method for Many-Body Systems Using a Separation into a Difference of Hamiltonians

Manfred Hader, Franz G. Mertens

Published Feb 1, 1988• 2 citations
Publisher

Abstract

A particular ansatz for the wave function leads to an upper bound for the exact ground-state energy. This allows a variation with respect to a separation parameter. The method is tested for a one-dimensional lattice with Morse interactions where the Toda subsystems can be solved by the Bethe ansatz. In two limiting cases our results are exact, otherwise they are in excellent agreement with the quantum transfer integral method.

DOI
10.1209/0295-5075/5/3/003

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A particular ansatz for the wave function leads to an upper bound for the exact ground-state energy. This allows a variation with respect to a separation parameter. The method is tested for a one-dimensional lattice with Morse interactions where the Toda subsystems can be solved by the Bethe ansatz. In two limiting cases our results are exact, otherwise they are in excellent agreement with the quantum transfer integral method.
We propose a method to construct the ground state \ensuremath{\psi}(\ensuremath{\lambda}) of local lattice Hamiltonians with the generic form H0{\mathit{H}}_{0}H0​+\ensuremath{\lambda}H1{\mathit{H}}_{1}H1​, where \ensuremath{\lambda} is a coupling constant and H0{\mathit{H}}_{0}H0​ is a Hamiltonian with a nondegenerate ground state ${\mathrm{\ensuremath{\psi}}}_{0}$. The method is based on the choice of an exponential ansatz \ensuremath{\psi}(\ensuremath{\lambda})=exp[U(\ensuremath{\lambda})]${\mathrm{\ensuremath{\psi}}}_{0}$, which is a sort of generalized lattice version of a Jastrow wave function. We combine perturbative and variational techniques to get successive approximations of the operator U(\ensuremath{\lambda}). Perturbation theory is used to set up a variational method which in turn produces nonperturbative results. The computation with this kind of ansatz leads us to associate to the original quantum-mechanical problem a statistical-mechanical system defined in the same spatial dimension. In some cases these statistical-mechanical systems turn out to be integrable, which allows us to obtain exact upper bounds to the energy. The general ideas of our method are illustrated in the example of the Ising model in a transverse field.
We propose a new ansatz for the ground-state wave function of quantum many-body systems on a lattice. The key idea is to cover the lattice with plaquettes and obtain a state whose configurational weights can be optimized by means of a variational Monte Carlo algorithm. Such a scheme applies to any dimension, without any 'sign' instability. We show results for various two-dimensional spin models (including frustrated ones). A detailed comparison with available exact results, as well as with variational methods based on different ansatze, is offered. In particular, our numerical estimates are in quite good agreement with exact ones for unfrustrated systems, and compare favorably to other methods for frustrated ones.
We propose a new ansatz for the ground-state wave function of quantum many-body systems on a lattice. The key idea is to cover the lattice with plaquettes and obtain a state whose configurational weights can be optimized by means of a variational Monte Carlo algorithm. Such a scheme applies to any dimension, without any 'sign' instability. We show results for various two-dimensional spin models (including frustrated ones). A detailed comparison with available exact results, as well as with variational methods based on different ansatze, is offered. In particular, our numerical estimates are in quite good agreement with exact ones for unfrustrated systems, and compare favorably to other methods for frustrated ones.
In this work we study the quantum Toda lattice, developing the asymptotic Bethe ansatz method first used by Sutherland. Despite its known limitations we find, on comparing with Gutzwiller's exact method, that it works well in this particular problem and in fact becomes exact as ℏ\hbarℏ grows large. We calculate ground state and excitation energies for finite sized lattices, identify excitations as phonons and solitons on the basis of their quantum numbers, and find their dispersions. These are similar to the classical dispersions for small ℏ\hbarℏ, and remain similar all the way up to ℏ=1\hbar=1ℏ=1, but then deviate substantially as we go further into the quantum regime. On comparing the sound velocities for various ℏ\hbarℏ obtained thus with that predicted by conformal theory we conclude that the Bethe ansatz gives the energies per particle accurate to O(1/N21/N^21/N2). On that assumption we can find correlation functions. Thus the Bethe ansatz method can be used to yield much more than the thermodynamic properties which previous authors have calculated.
We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large Hilbert space is circumvented by approximating the positivity of the density matrix, order-by-order, in a way that keeps track of a limited set of correlation functions. In particular, the density-matrix description is replaced by a correlation matrix whose dimension is kept linear in system size, to all orders of the approximation. Unlike the conventional variational principle which provides an upper bound on the ground-state energy, in this approach one obtains a lower bound instead. By treating several one-dimensional spin 1/21/21/2 Hamiltonians, we demonstrate the ability of this approach to produce long-range correlations, and a ground-state energy that converges to the exact result. Possible extensions, including to higher-excited states are discussed.
In this work we study the quantum Toda lattice, developing the asymptotic Bethe ansatz method first used by Sutherland. Despite its known limitations we find, on comparing with Gutzwiller's exact method, that it works well in this particular problem and in fact becomes exact as \ensuremath{\hbar} grows large. We calculate ground state and excitation energies for finite-sized lattices, identify excitations as phonons and solitons on the basis of their quantum numbers, and find their dispersions. These are similar to the classical dispersions for small \ensuremath{\hbar}, and remain similar all the way up to \ensuremath{\hbar}=1, but then deviate substantially as we go farther into the quantum regime. On comparing the sound velocities for various \ensuremath{\hbar} obtained thus with that predicted by conformal theory we conclude that the Bethe ansatz gives the energies per particle accurate to O(1/N2{\mathrm{N}}^{2}N2). On that assumption we can find correlation functions. Thus the Bethe ansatz method can be used to yield much more than the thermodynamic properties which previous authors have calculated.