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Cambridge University Press eBooks

Perturbation theory

Giampiero V. M. Esposito, Giuseppe Marmo, Gennaro Miele, George Sudarshan

Published Oct 31, 2014• 0 citations
Publisher

Abstract

Approximation of eigen values and eigenvectors Many realistic problems that arise in theoretical physics lead to equations which cannot be given exact general solutions. Therefore, many attempts have been made to produce satisfactory methods to provide approximate solutions. The most common ones search for solutions in terms of power series and in terms of asymptotic expansions. The main idea behind approximation methods is to try to find approximate solutions of a given system by means of exact solutions of an approximate system (a ‘nearby’ system). We start with the eigenvalue equation associated with the Hamiltonian H and consider an approximating one, say H 0 , whose equations of motion can be explicitly solved. We introduce an interpolating family of Hamiltonians H ε = H 0 + ε H 1 such that, for a given value of ε, say ε, H ε ≡ H . Both eigenvalues and eigenvectors for H ε may be expanded as a series in ε and solved order by order. The simplest example to illustrate what we have in mind is provided by a second-order algebraic equation, e.g. x 2 − 3.03 x + 2.02 = 0. This equation may be written by means of an interpolating family x 2 − 3(1 + ε) x + 2(1 + ε) = 0, which yields the equation we want to solve when ε = 10 −2 . One can consider the approximate equation to be given by ε = 0, i.e. x 2 − 3 x + 2 = 0.

DOI
10.1017/cbo9781139875950.013

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Approximation of eigen values and eigenvectors Many realistic problems that arise in theoretical physics lead to equations which cannot be given exact general solutions. Therefore, many attempts have been made to produce satisfactory methods to provide approximate solutions. The most common ones search for solutions in terms of power series and in terms of asymptotic expansions. The main idea behind approximation methods is to try to find approximate solutions of a given system by means of exact solutions of an approximate system (a ‘nearby’ system). We start with the eigenvalue equation associated with the Hamiltonian H and consider an approximating one, say H 0 , whose equations of motion can be explicitly solved. We introduce an interpolating family of Hamiltonians H ε = H 0 + ε H 1 such that, for a given value of ε, say ε, H ε ≡ H . Both eigenvalues and eigenvectors for H ε may be expanded as a series in ε and solved order by order. The simplest example to illustrate what we have in mind is provided by a second-order algebraic equation, e.g. x 2 − 3.03 x + 2.02 = 0. This equation may be written by means of an interpolating family x 2 − 3(1 + ε) x + 2(1 + ε) = 0, which yields the equation we want to solve when ε = 10 −2 . One can consider the approximate equation to be given by ε = 0, i.e. x 2 − 3 x + 2 = 0.
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.
The starting point in a quantum mechanical problem is the construction of a Schrödinger equation. A Schrödinger equation is exactly solvable only for a certain number of simple potentials. In most of the cases the Schrödinger equation can be solved exactly. The solution of the Schrödinger equation for the real systems is usually complicated and often exact solutions. 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. The splitting of an energy level due to the interaction of the nuclear magnetic dipole and the magnetic field Be produced by the electron orbit current is called the fine structure. The term hyperfine structure is used to describe extremely small splitting of spectral lines.
Many physical systems cannot be solved exactly. In this case, we look for approximate methods to gain insight into their properties. Perturbation theory is one such method. When the Hamiltonian of the system doesn't change over time, one approximate method is the Time Independent Perturbation Theory, which is the subject of Chapter 10 . The infinite square well, the harmonic oscillator, and the hydrogen atom are among the few physical systems for which the Schrodinger equation can be solved exactly. For this reason, they are described in detail in most of the introductory quantum mechanics textbooks. However, most physical systems are not exactly solvable, i.e., they are described by the Schrodinger equation, whose solutions cannot be expressed in terms of commonly used functions. In order to study such systems, we try to decompose the corresponding Hamiltonian into a solvable Hamiltonian plus a small perturbation. For such cases, we say that the Hamiltonian is “close enough” to an exactly solvable Hamiltonian to warrant using perturbative methods to approximate its eigenenergies and eigenfunctions.
As in classical mechanics the number of exactly soluble quantum mechanical problems is very limited and in most cases of practical interest numerical techniques and approximation methods are unavoidable. The availability of fast computers has turned quantum computation into a major industry. This chapter looks at the several approximation techniques. In seeking to solve the Schrodinger equation with the perturbed Hamiltonian, it is convenient to work with series expansions by introducing a dimensionless parameter λ. In many cases the system of interest differs from an exactly soluble system by only a small disturbance, enabling an approximation to be made by expanding in powers of a smallness parameter. The Variational Method provides a very simple method of approximating energy eigenvalues. It is most useful for computing ground state energies and its success depends on our being able to make a reasonable guess for the form of the ground state wave function.
Exact solutions to the Schrödinger equation for realistic nanoscale systems are beyond reach, hence, different strategies for approximating the solutions are necessary. Perturbation theory relies on a “zero-order Hamiltonian” to express the desired eigenvalues and eigenvectors of “the full Hamiltonian.” We derive working equations for the Rayleigh–Schrödinger perturbation theory, and the validity of the approach is analyzed for a generic two-level system. Applications are given to atoms perturbed by point charges or static fields, and for electrons in quantum wells. An alternative strategy is the variation method, which replaces exact solutions by their projection on a reduced space of “trial functions,” varied to minimize the associated error. Particularly important is the method of linear variation, which can potentially converge to the exact Hamiltonian eigenstates. The mean-field approximation, commonly used for many-particle systems, is derived by optimizing a trial function in the form of product of single-particle functions.
The vast majority of problems in quantum mechanics cannot be solved exactly. As in all theories of physics approximation methods are therefore of great importance. Here we shall deal with time-independent problems, which means that we seek the eigenvalues and eigenstates of H . In perturbation theory we split H into two pieces, H = H 0 + H 1 , where we know the spectrum and eigenstates of H 0 , and H 1 is, in some sense, small. Needless to say, a split of this type is often not possible, or at least unknown. In that case one frequently replaces the system by a simpler model for which perturbation theory works, and which, it is hoped, captures some of the essential features of the actual problem at hand. This art of finding models is something that can only be taken up within the context of a particular subject (e.g., solid state or nuclear physics). Here we shall treat systems where good zero-order solutions are rather obvious.