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Physical review. D. Particles, fields, gravitation, and cosmology/Physical review. D. Particles and fields

Anharmonic oscillator as a test of the coupled-cluster method

Ulrich B. Kaulfuss, M. Altenbokum

Published Jun 15, 1986• 35 citations
Publisher

Abstract

Recent applications of the coupled-cluster method to the (${\ensuremath{\varphi}}^{4}$${)}_{2}$ quantum field theory showed the necessity of a detailed analysis of its convergence behavior. The anharmonic oscillator has always served as a good test case for different approximation schemes. We treat the model both in the maximum-overlap condition and in the Hartree approximation. The ground-state energy is reproduced very well for all values of the coupling strength and already for a low-order truncation scheme. The expansion in correlation amplitudes can be carried out in extremely high order and shows a divergent tendency of the amplitudes. Introducing temperature dependence allows us to select the stable ground state out of a variety of solutions of the hierarchy of equations.

DOI
10.1103/physrevd.33.3658

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Field Theoretic Functional Calculus for the Anharmonic Oscillator in Low Approximations

Wolfgang Schuler

The theory of solution for quantum field functional equations as developped in II and III for a suitable test problem of quantum mechanics is investigated in low approximations. In Sect. 1 the functional formulation of the anharmonic oscillator is once more given and in Sect. 2 general translational equivalent functional equations. The expansion of the physical state functional into series of unsymmetrical and symmetrical base functionals and the representation of the functional equations for such expansions are discussed in Sect. 3. In the next Sect. 4 the unsymmetrical DYSON representation is investigated and the explicit representation of the smeared out functional equation by an infinite system of equations is derived. Then in Sect. 5 and 6 the system of equations is truncated for N = 3 and the corresponding eigenvalue equation is considered. The same is done in Sect. 7 and 8 for the HERWITTE representation. In the following Sect. 9 the original functional equation in a not smeared out form is treated in the DYSON representation and the corresponding system of unsymmetrized equations is given. Furthermore in Sect. 10 the N = 3 approximation together with other possibilities is investigated again. Finally the numerical results of our calculations for eigenvalues are stated and discussed. In the appendices technical details are derived.

Zeitschrift für Naturforschung A•Dec 1, 1968•1 citation
Recent applications of the coupled-cluster method to the ({\ensuremath{\varphi}}^{4}$${)}_{2} quantum field theory showed the necessity of a detailed analysis of its convergence behavior. The anharmonic oscillator has always served as a good test case for different approximation schemes. We treat the model both in the maximum-overlap condition and in the Hartree approximation. The ground-state energy is reproduced very well for all values of the coupling strength and already for a low-order truncation scheme. The expansion in correlation amplitudes can be carried out in extremely high order and shows a divergent tendency of the amplitudes. Introducing temperature dependence allows us to select the stable ground state out of a variety of solutions of the hierarchy of equations.
The coupled-cluster method (CCM) of quantum many-body theory has been widely and very successfully applied to a broad spectrum of condensed-matter systems. At a given level of approximation in a hierarchy of truncations which are necessary to implement the method in practice, the many-body Schr\"odinger equation is decomposed into a finite set of coupled nonlinear equations for the various amplitudes that otherwise exactly describe the correlated clusters or subsystems within the interacting many-body medium. The properties of the multiple solutions to these equations and their implications for the method itself are the primary concern here. We perform a detailed investigation for the simple but illustrative one-body problem of a quartic anharmonic oscillator, which provides a very stringent test of the convergence properties of any method rooted in perturbation theory. The problem is treated as a model field theory in 0+1 dimensions in order to illuminate general properties of the CCM. The various supercoherent states generated by the CCM at other than the lowest levels of truncation are unnormalizable but yield finite and well-defined estimates for quantities of physical interest. Their possible use as multiphoton generalizations of the two-photon squeezed coherent states is pointed out.
Using the general anharmonic oscillator as a case study, we examine the coupled-cluster method (CCM) in some detail. Emphasis is specially placed on the accuracy of the standard ground-state energy calculation and the excitation spectrum as derived via the Emrich ansatz. We are particularly interested in problems that can arise from large differences between the exact wave function and its model counterpart that forms the starting point of the CCM. To this end we begin with a variational Hartree approximation applied to three particular anharmonic-oscillator Hamiltonians that contain, respectively, pure quartic, equally weighted cubic and quartic, and double-well perturbations. These are chosen to provide increasingly stringent tests for the CCM in the above sense. Considerable attention is paid to the variational description of the double-well case, where the various possible solutions to the Hartree equations are considered and a further calculation on the energy-level splitting is performed. The CCM is then used to improve systematically upon our chosen starting point and is shown, particularly for the ground state, both to produce extremely accurate results and to be rather resilient to even gross deficiencies in the starting wave function. The main problem is the double-well system, where the CCM shows its lack of intrinsic inbuilt tunneling mechanisms via the absence of level splitting. Even here the CCM still produces very accurate average energies for very deep wells. While clearly needing some modification in such extreme cases, the CCM is shown to be quite adaptable and robust with regard to inaccurate starting wave functions.
Both single-well and multiwell one-dimensional anharmonic oscillators have provided an extremely fruitful testing ground for various modern techniques of microscopic quantum many-body theory and quantum field theory. They have served both as (0+1)-dimensional field-theory models of their important counterparts in a higher number of dimensions, and as algebraically simple yet highly nontrivial problems on which various approximation or truncation schemes could be tested to very high orders. Such techniques have included perturbation theory and its many possible resummation schemes, and the coupled-cluster method. In the present paper the spotlight is focused on variational methods, and we concentrate on their application to the particularly demanding double-well quartic anharmonic oscillator. We examine in detail both single-state and multistate variational calculations based on either orthogonal (uncorrelated) or nonorthogonal (correlated) basis functions. Particular attention is paid to the question of the sensitivity and accuracy of the results with respect to any nonlinear parameters that characterize the basis states. Practical schemes are suggested for their choice and are shown to be capable of very high accuracy. Use of this simple model also allows detailed comparisons to be made with other techniques of a perturbative or perturbative-variational hybrid character.
We investigate the vacuum state of (1+1)-dimensional ${\ensuremath{\varphi}}^{4}$ quantum field theory utilizing a modification of the powerful coupled cluster method by the additional maximum-overlap condition. This permits us to construct the ground state of that field theory for nearly all values of the coupling strength. Only a small region has to be excluded where our method still fails. This is most probably due to critical behavior showing up in a change of the order parameter of the model. Our procedure predicts a behavior of the (${\ensuremath{\varphi}}^{4}$)2{)}_{2})2​ model in complete agreement with some rigorous mathematical statements which is not possible in the case of a Gaussian approximation only. Perhaps somewhat unexpectedly, the symmetry-breaking Hamiltonian does not have any critical point.
We apply the functional renormalization group method to the calculation of dynamical properties of zero-dimensional interacting quantum systems. As case studies we discuss the anharmonic oscillator and the single impurity Anderson model. We truncate the hierarchy of flow equations such that the results are at least correct up to second order perturbation theory in the coupling. For the anharmonic oscillator energies and spectra obtained within two different functional renormalization group schemes are compared to numerically exact results, perturbation theory, and the mean field approximation. Even at large coupling the results obtained using the functional renormalization group agree quite well with the numerical exact solution. The better of the two schemes is used to calculate spectra of the single impurity Anderson model, which then are compared to the results of perturbation theory and the numerical renormalization group. For small to intermediate couplings the functional renormalization group gives results which are close to the ones obtained using the very accurate numerical renormalization group method. In particulare the low-energy scale (Kondo temperature) extracted from the functional renormalization group results shows the expected behavior.
The theory of solution for quantum field functional equations as developped in II and III for a suitable test problem of quantum mechanics is investigated in low approximations. In Sect. 1 the functional formulation of the anharmonic oscillator is once more given and in Sect. 2 general translational equivalent functional equations. The expansion of the physical state functional into series of unsymmetrical and symmetrical base functionals and the representation of the functional equations for such expansions are discussed in Sect. 3. In the next Sect. 4 the unsymmetrical DYSON representation is investigated and the explicit representation of the smeared out functional equation by an infinite system of equations is derived. Then in Sect. 5 and 6 the system of equations is truncated for N = 3 and the corresponding eigenvalue equation is considered. The same is done in Sect. 7 and 8 for the HERWITTE representation. In the following Sect. 9 the original functional equation in a not smeared out form is treated in the DYSON representation and the corresponding system of unsymmetrized equations is given. Furthermore in Sect. 10 the N = 3 approximation together with other possibilities is investigated again. Finally the numerical results of our calculations for eigenvalues are stated and discussed. In the appendices technical details are derived.