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arXiv:quant-ph/0009015

General procedure of solving the time-dependent Schrödinger equation

C.Y. Chen

Published Sep 4, 2000• 0 citations
arXivHTMLPDF

Abstract

A nonperturbative procedure of solving the time-dependent Schrödinger equation, called the multi-projection approach or phase dynamics of quantum mechanics, is derived and illustrated. In addition to introducing a method with that time-dependent systems become solvable (under the assumption that corresponding time-independent systems are solvable), the new approach unveils several misconcepts related to the usual wavefunction expansion and the standard perturbation theory.

DOI
10.48550/arxiv.quant-ph/0009015

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A nonperturbative procedure of solving the time-dependent Schrödinger equation, called the multi-projection approach or phase dynamics of quantum mechanics, is derived and illustrated. In addition to introducing a method with that time-dependent systems become solvable (under the assumption that corresponding time-independent systems are solvable), the new approach unveils several misconcepts related to the usual wavefunction expansion and the standard perturbation theory.
A general procedure for solving the time-dependent Schroumloumloumldinger equation
In all the applications of the formalism of quantum theory, we have considered mainly time-independent potential functions, V ( r , t ) = V ( r ). Such potentials made it easier to solve exactly the Schrodinger's equation or by solving the Schrodinger's equation approximately by using perturbation theory. The solution of the Schrodinger equation for time-independent potentials is obtained by using method of separable variables. The solution of time-independent Schrodinger gives stationary states, and the time dependence of the wave function is obtained by adding a phase factor to the stationary state. The schematic that follows describes such an approach ( Figure 7.1 ).
The previous time-dependent variation-perturbation theory, which is derived from the conventional time-dependent perturbation equations, contains two inconvenient features. When the perturbation becomes static, the wave function so obtained does not satisfy the time-dependent Schr\"odinger equation, and the perturbation equations cannot be reduced to the ordinary time-independent perturbation equations. To remove these difficulties, we introduce a perturbed time-dependent phase factor in deriving a new set of perturbation equations. We then construct the variation-perturbation functionals as in the previous theory; the perturbed wave functions are solved by minimizing these functionals. The same method is also applied to many-electron systems, using the coupled and uncoupled Hartree-Fock scheme.
Abstract After revisiting the time-dependent Schrödinger equation and introducing the Hamiltonian operator, the time-independent Schrödinger equation (TISE) is obtained. Conditions on acceptable wavefunctions are then stated. The method for solution of the TISE is laid out, and the infinite potential well is solved as an example. A discussion of the physical interpretation of the solutions — as energy eigenstates in position space — follows. This provides an opportunity to introduce overall and relative phases, and to point out that the latter are responsible for time evolution. The TISE is then applied to the important problems of scattering from a step potential and tunneling through a rectangular potential barrier. Use of the TISE for such problems greatly simplifies calculations, but it can also instill misconceptions; both aspects are discussed.
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.