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Physical Review A

Alternative quantum perturbation theory without divergences

Wenhua Hai, Mang Feng, Xiwen Zhu, Lei Shi, Kelin Gao, Ximing Fang

Published Apr 6, 2000• 41 citations
Publisher

Abstract

A different integral form of the Schr\"odinger equation and some boundedness conditions of the wave functions are proved, which exhibit the origin of some divergences in quantum mechanics. The iterations from the integral equation and the boundedness conditions lead to a method for avoiding the divergence difficulties. The result is extended to the time-dependent and the multidimensional cases. Examples of an electron in the Wigner spherical ``box'' with a $1/r$ perturbed potential, some heliumlike ions in the ground state, and the Stark effect of the hydrogen atom show that this different perturbation method can give rational multiorder corrections of the wave function and energy.

DOI
10.1103/physreva.61.052105

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arXiv:2105.04972•Europhysics Letters (EPL)•Nov 1, 2022•1 citation
A different integral form of the Schr"odinger equation and some boundedness conditions of the wave functions are proved, which exhibit the origin of some divergences in quantum mechanics. The iterations from the integral equation and the boundedness conditions lead to a method for avoiding the divergence difficulties. The result is extended to the time-dependent and the multidimensional cases. Examples of an electron in the Wigner spherical ``box'' with a 1/r1/r1/r perturbed potential, some heliumlike ions in the ground state, and the Stark effect of the hydrogen atom show that this different perturbation method can give rational multiorder corrections of the wave function and energy.
Abstract The theory of perturbations of electronic systems has been considered by various writers, and the method is the basis of the solution of most quantum problems. It therefore seems desirable that the theory should be placed on a firm footing, and this necessitates the discussion of the convergence of the series of perturbations, which up to the present has been avoided. This investigation is all the more necessary since the wave equation of the Stark Effect has no solution of the form assumed by Schrödinger in his original discussion of the perturbation theory. Dirac’s theory leads to a system of linear differential equations in an infinite number of variables, and 2 is devoted to the discussion of the existence theorem for such a system by a matrix method. In 3 the application is made to the perturbation theory in the case of perturbations satisfying the conditions assumed in 2. In 4 the theory is extended so as to include more general types of disturbances. It is shown that, though the series of perturbations does not in general converge, yet it usually possesses the same asymptotic character as in the classical theory, and its use can therefore be justified.
Abstract In a previous paper the theory of perturbations was discussed for system which possess only discrete spectra. The theory is now extended to systems with both discrete and continuous spectra, and in addition a slightly more general method of perturbation is considered. The Hamiltonian H of the perturbed systems is split up into three parts H0, H1, H2 (t), two of which can be chosen arbitrarily. The solutions of the perturbed problem can then be worked out in terms of the characteristic functions corresponding to the Hamiltonian H0 + H2 (T), where T is any arbitrary fixed time. In general, however, the series of perturbations does not converge, and different modes of splitting up the Hamiltonian will lead to different formal results. The perturbation theory does usually give the correct physical results, and it is therefore necessary to give some explanation of how this happens. In (I) the asymptotic nature of certain solutions was emphasised, but this does not extend to the more general systems treated here. It is suggested that the usual boundary conditions do not give an adequate description of any but the simplest atomic problems, and that more detailed restrictions, determined by the experimental conditions, ought to be substituted. As this is impossible in practice, an alternative method is to regard the motion as a perturbation on that Hamiltonian H0 + H2 (T) which most nearly corresponds to the experimental conditions. (For example, we may regard an electron as free or bound according as the experiment determines the number of free or bound electrons respectively, whereas in the usual theory the initial Hamiltonian is taken as fundamental.) This criterion, together with the initial conditions, suffices to fix the division of H into the three parts H0, H1, H2 (t) which at first were chosen arbitrarily. The formal solution can be worked out on this basis, and it is then assumed that this solution is asymptotic to the one which would be obtained if the full boundary conditions were used. This suggestion is in accordance with the fact that a hydrogen atom in an electric field gives rise not only to the usual Stark effect, but also to an ionisation effect. In § 2 the perturbation equation are derived in a slightly more general form than has previously been given. The theories of Born,* Dirac and Oppenheimer are particular cases of that given here, and are obtained by particular choices of H0, H1, H2 (t). To obtain Born’s theory we take H1 = 0, and for Oppenheimer’s we take H2 (t) = H2 (T) and T = 0. In Dirac’s theory we have H1 = 0, H2 (0) = 0 and T = 0. Each of these theories is appropriate for the solution of special problems, but the more general method of this paper is required for the full discussion of the perturbation theory.
The starting point in a quantum mechanical problem is the construction of a Schrödinger equation. We try to solve it exactly to obtain wave function. A Schrödinger equation is exactly solvable only for a certain number of simple potentials. In most of the cases the Schrödinger equation cannot be solved exactly. The solution of the Schrödinger equation for the real systems is usually complicated and often exact solutions are very difficult to find or solutions not exist. Examples include as anharmonic oscillator, hydrogen atom in an electric field, a plane rotator in the presence of an applied electric field and so on. Therefore, we need to rely on approximation methods. The simple and most interesting and powerful approximate method is the perturbation theory developed by Schrödinger in 1926 [1]. Earlier Lord Rayleigh [2] analysed harmonic vibrations of a string perturbed by small inhomogeneities. The work of Rayleigh was pointed out by Schrödinger. Consequently, the method is also called Rayleigh-Schrödinger perturbation theory. This method is powerful for determining the changes in the discrete energy values and the associated eigenfunctions of a system due to a weak perturbation, provided the eigenpairs of the undisturbed system are available. The approximations obtained from the perturbation theory are used to calculate energy level diagrams and to understand the splitting and assignments of atomic and molecular spectra [35]. The perturbation theory has been proven to be useful in several fields of theoretical physics and also in chemistry. It provides considerable insight into various phenomena. The main disadvantage of this method is that in certain problems the perturbation series converges slowly or diverges.
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schrödinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant. The resulting hierarchy of equations defining the perturbative corrections is governed by a gauge-rotated Hamiltonian of the unperturbed system and leads to closed-integral expressions for the time-dependent corrections based on Duhamel's formula. This closed-integral structure of corrections is a hallmark of time-independent logarithmic perturbation theory and is preserved in the present extension. This structure, in particular, provides a computable expression for the instantaneous energy shift. Furthermore, dynamic energy shifts arise naturally within this framework in the form of time-averaged expectation values of pseudopotentials and can be related, for example, to AC Stark shifts and electric polarizabilities. As an illustration, we apply the method to the harmonic oscillator and the hydrogen atom, both driven by a time-dependent laser field. The harmonic oscillator provides a proof of principle for which the exact solution is recovered, while the hydrogen atom illustrates the method applied to atomic systems. Supported by numerical simulations, we demonstrate the applicability to obtain relevant physical observables with high accuracy. The present approach offers a promising alternative for analytical studies of time-dependent multi-photon processes in the perturbative regime.
Abstract It is well known that quantum-mechanical perturbation theory often gives rise to divergent series that require proper resummation. Here I discuss simple ways in which these divergences can be avoided in the first place. Using the elementary technique of relaxed fixed-point iteration, I obtain convergent expressions for various challenging ground-states wave functions, including quartic, sextic and octic anharmonic oscillators, the hydrogenic Zeeman problem, and the Herbst-Simon Hamiltonian (with finite energy but vanishing Rayleigh-Schrödinger coefficients), all at arbitarily strong coupling. These results challenge the notion that non-analytic functions of coupling constants are intrinsically “non-perturbative”. A possible application to exact diagonalization is briefly discussed.