In many situations in physics, the Hamiltonian of a given system is so complicated that the solution to the stationary Schrodinger equation is practically impossible or very difficult. Therefore, some approximation methods are required. This chapter presents the time-independent perturbation theory, the procedure of finding corrections to non-degenerate eigenvalues and eigenvectors to a part of the Hamiltonian of a given system. The perturbation theory is appropriate when the Hamiltonian can be split into two parts. The perturbation theory can be applied to analyze the quantum properties of particles trapped in two closely coupled potential wells. By closely coupled wells, it is meant that these two wells are separated by a barrier. This is a typical situation in the studies of quantum dynamics of Bose–Einstein condensates. Using the first-order perturbation theory, one can find the eigenvalues and eigenvectors.
In many situations in physics, the Hamiltonian of a given system is so complicated that the solution to the stationary Schrodinger equation is practically impossible or very difficult. Therefore, some approximation methods are required. This chapter presents the time-independent perturbation theory, the procedure of finding corrections to non-degenerate eigenvalues and eigenvectors to a part of the Hamiltonian of a given system. The perturbation theory is appropriate when the Hamiltonian can be split into two parts. The perturbation theory can be applied to analyze the quantum properties of particles trapped in two closely coupled potential wells. By closely coupled wells, it is meant that these two wells are separated by a barrier. This is a typical situation in the studies of quantum dynamics of Bose–Einstein condensates. Using the first-order perturbation theory, one can find the eigenvalues and eigenvectors.
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.
Exactly solvable models in quantum mechanics are very rare.However, perturbation theory is a powerful tool to research the complex quantum systems and is widely used in theoretical physics and chemistry.For the particle weakly perturbed by the surrounding environment, its energy eigenstate and eigenvalue are separately calculated up to the first-order and second-order perturbation approximations in the undergraduate textbook of quantum mechanics.Whereas in reality, we have to calculate the high-order perturbation correction terms occasionally.Along the same lines of the low-order perturbation correction terms of energy eigenvalues and eigenstate for stationary state perturbation theory in the non-degenerate case, the third-order and fourth-order perturbation correction terms are strictly attained in this paper.Moreover, it points out the essence of perturbation theory and provides its derivation ideas.Students are no longer afraid of tedious derivation and can derive any-order perturbation correction.These results can serve as an extension and supplement for the quantum mechanics textbooks.Furthermore, it is very helpful for students to deeply understand quantum 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.
Abstract This review presents time-independent perturbative methods for solving the one-dimensional Schrödinger equation, highlighting representative cases that reveal key aspects of the theory. The focus is on their relevance to quantum computing applications, particularly in systems with finite-dimensional state spaces. The main link between these methods and quantum processing emerges when we consider systems with only a finite number of well-defined energy levels, e.g., two levels corresponding to the ‘zero’ and ‘one’ states of a quantum bit (qubit), for which the Schrödinger equation describes a quantum algorithm corresponding to the unitary evolution of the qubits. Perturbative techniques can then be applied to this evolution to gain deeper insight into the algorithm or to simplify it in a controlled manner, as described in the last sections of this review. We initially discuss representative applications using benchmark cases that exemplify the essential features of perturbation theory while avoiding unnecessary technical complications. The methods presented involve direct approaches to solutions for quantum systems with small potential perturbations, with consideration of indirect and approximation techniques. Key cases examined include the particle in a potential well, the harmonic oscillator, and systems with polynomial or Dirac delta distribution perturbations, each chosen to highlight unique aspects of perturbative analysis. Starting with an overview of the unperturbed Schrödinger equation, we derive canonical solutions and then use perturbative techniques to approximate energy shifts and wavefunction corrections in both non-degenerate and degenerate settings. By combining theoretical discussion with case studies, this review underscores how perturbative methods are applied across a range of elementary quantum mechanical problems especially for applications in the qubit model, which, in many cases of interest, can be reduced to the explicit calculations shown here.
This report discusses two new ideas for using perturbation methods to solve the time-independent Schrödinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix diagonalization methods. That allows a simple, compact derivation of the standard (Rayleigh-Schrödinger) equations. But it also leads to a new iterative solution method that is not based on the usual power series expansion. The iterative method can also be used when the unperturbed system is two-fold degenerate. The second concept is quite different from the first but compatible with it. It is based on the fact that one can replace the true Hamiltonian with a synthetic Hamiltonian having the same eigenvalues. This approach allows one to cancel part of the perturbation and to reduce the size of the off-diagonal matrix elements, giving better convergence of the series. These methods are illustrated by application to three perturbed harmonic oscillator problems--a 1-D oscillator with a linear perturbation, a 1-D oscillator with a quartic perturbation, and a perturbed 2-D oscillator, which involves degenerate states. The iterative method and the synthetic Hamiltonian method are shown to give significantly better results than the standard method.
The main differential equations of quantum theory are the eigenequations based on the energy operator; they have the energy as eigenvalues and the wave functions as eigenfunctions. A usual complexity of these equations makes their accurate solutions accessible easily only for very few physical cases. One of the methods giving the approximate solutions is the Schrödinger perturbation theory in which both the energies and wave functions of a more complicated eigenproblem are approached with the aid of similar parameters characteristic for a less complicated eigenproblem. No time parameter is necessary to be involved in these calculations. The present paper shows that the Schrödinger perturbation method for non-degenerate stationary quantum states, i.e. the states being independent of time, can be substantially simplified by applying a circular scale of time separately for each order of the perturbation theory. The arrangement of the time points on the scale, combined with the points contractions, gives almost immediately the series of terms necessary to express the stationary perturbation energy of a given eigenproblem. The Schrödinger’s method is compared with the Born-Heisenberg-Jordan perturbation approach.