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arXiv:1106.6123 · Journal of Physical Mathematics

Further Developments for the Auxiliary Field Method

Claude Semay, Fabien Buisseret, BERNARD SILVESTRE-BRAC

Published Jan 1, 2011• 6 citations
arXivHTMLPDF

Abstract

The auxiliary field method is a technique to obtain approximate closed formulae for the solutions of both nonrelativistic and semirelativistic eigenequations in quantum mechanics. For a many-body Hamiltonian describing identical particles, it is shown that the approximate eigenvalues can be written as the sum of the kinetic operator evaluated at a mean momentum $p_0$ and of the potential energy computed at a mean distance $r_0$. The quantities $p_0$ and $r_0$ are linked by a simple relation depending on the quantum numbers of the state considered and are determined by an equation which is linked to the generalized virial theorem. The (anti)variational character of the method is discussed, as well as its connection with the perturbation theory. For a nonrelativistic kinematics, general results are obtained for the structure of critical coupling constants for potentials with a finite number of bound states.

DOI
10.4303/jpm/p111101

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The auxiliary field method is a technique to obtain approximate closed formulae for the solutions of both nonrelativistic and semirelativistic eigenequations in quantum mechanics. For a many-body Hamiltonian describing identical particles, it is shown that the approximate eigenvalues can be written as the sum of the kinetic operator evaluated at a mean momentum p0p_0p0​ and of the potential energy computed at a mean distance r0r_0r0​. The quantities p0p_0p0​ and r0r_0r0​ are linked by a simple relation depending on the quantum numbers of the state considered and are determined by an equation which is linked to the generalized virial theorem. The (anti)variational character of the method is discussed, as well as its connection with the perturbation theory. For a nonrelativistic kinematics, general results are obtained for the structure of critical coupling constants for potentials with a finite number of bound states.
The auxiliary field method is a powerful technique to obtain approximate closed-form energy formulas for eigenequations in quantum mechanics. Very good results can be obtained for Schrödinger and semirelativistic Hamiltonians with various potentials, even in the case of many-body problems. This method can also provide approximate eigenstates in terms of well-known wavefunctions, for instance harmonic oscillator or hydrogen-like states, but with a characteristic size which depends on quantum numbers. In this paper, we consider two-body Schrödinger equations with linear, logarithmic and exponential potentials and show that analytical approximations of the corresponding eigenstates can be obtained with the auxiliary field method, with very good accuracy in some cases.
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It has recently been shown that the auxiliary field method is an interesting tool to compute approximate analytical solutions of the Schrödinger equation. This technique can generate the spectrum associated with an arbitrary potential V ( r ) starting from the analytically known spectrum of a particular potential P ( r ). In the present work, general important properties of the auxiliary field method are proved, such as scaling laws and independence of the results on the choice of P ( r ). The method is extended in order to find accurate analytical energy formulae for radial potentials of the form aP ( r ) + V ( r ), and several explicit examples are studied. Connections existing between the perturbation theory and the auxiliary field method are also discussed.
This is the first in a series of papers. It deals with the linked-cluster summation of the perturbation series in quantum mechanics and quantum statistical physics. In particular, a formalism is developed for calculating the matrix element of the operator exp(+sH)\mathrm{exp}(+sH)exp(+sH), where HHH is the quantum-mechanical Hamiltonian operator. It is found that the matrix element may be written as an ordinary ccc-number integral of a ccc-number function over the phase space. This function is found by doing a linked-cluster summation of the usual perturbation series. It is in the form of an exponential of an effective Hamiltonian, Heff{H}_{\mathrm{eff}}Heff​, which is a function of the parameter sss and the ccc-number momentum and position coordinates. We have assumed that the Hamiltonian has no spin-dependent terms. The matrix element is written in such a form that it may be used for calculating the transition matrix elements in time-dependent perturbation theory as well as for calculating the canonical partition function ZN{Z}_{N}ZN​ in quantum statistical mechanics. The former is obtained by substituting $s=\ensuremath{-}\frac{\mathrm{it}}{\ensuremath{\hbar}}$ and the latter by substituting $s=\ensuremath{-}\ensuremath{\beta}$. The series for Heff{H}_{\mathrm{eff}}Heff​ depends only on the potential and is independent of the statistics. The effects of the statistics (Bose-Einstein, Fermi-Dirac, or Maxwell-Boltzmann) are all included in a certain factor multiplying exp(sHeff)\mathrm{exp}(s{H}_{\mathrm{eff}})exp(sHeff​). Thus we have succeeded in separating the statistical and quantum corrections. These latter arise from the noncommutativity of the position and momentum operators. The effective Hamiltonian is an infinite series. A diagrammatic technique is given for evaluating this series. It is an expansion in powers of the coupling constant and can also be expanded in powers of Planck's constant. In general, it is not possible to give a closed-form expression for Heff{H}_{\mathrm{eff}}Heff​. But for most practical cases it is sufficient to keep the first few powers of Planck's constant $\ensuremath{\hbar}$, because it is very small. We therefore have an entirely new method of approximation. The statistical effect may always be included exactly. No numerical estimates are made in this paper.
It is a characteristic of wisdom not to do desperate things. Henry David Thoreau Summary The essence of a mean-field method is to replace an interacting many-body problem with a set of independent-particle problems having an effective potential. It can be chosen either as an approximation for effects of interactions in an average sense or as an auxiliary system that can reproduce selected properties of an interacting system. The effective potential can have an explicit dependence on an order parameter for a system with a broken symmetry such as a ferro- or antiferromagnet. Mean-field techniques are vital parts of many-body theory: the starting points for practical many-body calculations and often the basis for interpreting the results. This chapter provides a summary of the Hartree–Fock approximation, the Weiss mean field, and density functional theory that have significant roles in the methods described in this book. Mean-field methods denote approaches in which the interacting many-body system is treated as a set of non-interacting particles in a self-consistent field that takes into account some effects of interactions in some way. In the literature such methods are often called “one-electron”; however, in this book we use “non-interacting” or “independent-particle” to refer to mean-field concepts and approaches. We reserve the terms “one-electron” or “one-body” to denote quantities that involve quantum mechanical operators acting independently on each body in a many-body system. Mean-field approaches are relevant for the study of interacting, correlated electrons because they lead to approximate formulations that can be solved more easily than more sophisticated approaches; when judiciously chosen, mean-field solutions can yield useful, physically meaningful results, and they can provide the basis and conceptual structure for investigating the effects of correlation. The particles that are the “bodies” in a many-body theory can be the original particles with their bare masses and interactions, or, most often, they may be the solutions of a set of mean-field equations chosen to facilitate the solution of the many-body problem. A large part of many-body theory in condensed matter involves the choice of the most appropriate independent particles. Hence, it is essential to define clearly the particles that are created and annihilated by the operators and in which the many-body theory is formulated.