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arXiv:1905.05309 · Revista Brasileira de Ensino de Física

Solution of the 1d Schrödinger Equation for a Symmetric Well

Lindomar Bomfim de Carvalho, Wytler Cordeiro dos Santos, Eberth de Almeida Correa

Published Jan 1, 2019• 4 citations
arXivHTMLPDF

Abstract

We suggest a mathematical potential well with spherical symmetry and apply to the 1d Schrödinger equation. We use some well known techniques as Stationary Perturbation Theory and WKB to gain insight about the solutions and compare them each other. Finally, we solve the 1d Schrödinger equation using a numerical approach with the so-called Numerov technique for comparison. This can be a good exercise for undergrad students to grasp the above cited techniques in a quantum mechanics course.

DOI
10.1590/1806-9126-rbef-2018-0359

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We suggest a mathematical potential well with spherical symmetry and apply to the 1d Schrödinger equation. We use some well known techniques as Stationary Perturbation Theory and WKB to gain insight about the solutions and compare them each other. Finally, we solve the 1d Schrödinger equation using a numerical approach with the so-called Numerov technique for comparison. This can be a good exercise for undergrad students to grasp the above cited techniques in a quantum mechanics course.
The objective of this study is to numerically solve and apply two approximate methods to investigate the Time Independent Schrödinger Equation (TISE) in one dimension for an infinite potential square well. These two numerical methods are the Numerov Method (NM) and Matrix Method (MM). As a simulation tool, MATLAB, a high-level programming language and an efficient simulation tool, is used for modeling and solving TISE in one dimension. Exact analytical solutions for these potential functions are obtained and compared with numerical solutions and computational techniques. The energy eigenvalues and Eigen functions of a particle (such as an electron) restricted to move inside this potential are discussed as an illustration. The numerically calculated energies of several states with increasing numbers of points were obtained from both methods and compared with the simulation results of the exact solution. As an exemplary case, the first five wave functions are accurately determined numerically where the discreteness is found since the wave function vanishes at the boundary. The obtained results show very good agreement and the similarity is clearly confirmed between the three cases. This agreement confirms that this approach was highly accurate and efficient. The accuracy and the convergence of the numerical obtained results were easily checked. The stability of these methods is due to the fact that there are no restrictions on the time steps to be taken. The merits of these numerical methods are to avoid a huge expense in time when solving Schrödinger equation.
Abstract A simple method to find the symmetries of the Schrödinger equation in one dimension with arbitrary potentials is presented. The method hereby used can be of interest to students in quantum mechanics at the undergraduate level. Several physical questions arising from this symmetry analysis are also discussed. Finally, some attention is paid to how the result leads to the explicit description of the exact propagators in the linear and quadratic case without using the more popular method of describing the classical action in the stationary phase approximation.
The Schrödinger-Newton (S-N) equations were proposed by Penrose [18] as a model for gravitational collapse of the wave-function. The potential in the Schrödinger equation is the gravity due to the density of ∣ψ∣2|\psi|^2∣ψ∣2, where ψ\psiψ is the wave-function. As with normal Quantum Mechanics the probability, momentum and angular momentum are conserved. We first consider the spherically symmetric case, here the stationary solutions have been found numerically by Moroz et al [15] and Jones et al [3]. The ground state which has the lowest energy has no zeros. The higher states are such that the (n+1)(n+1)(n+1)th state has nnn zeros. We consider the linear stability problem for the stationary states, which we numerically solve using spectral methods. The ground state is linearly stable since it has only imaginary eigenvalues. The higher states are linearly unstable having imaginary eigenvalues except for nnn quadruples of complex eigenvalues for the (n+1)(n+1)(n+1)th state, where a quadruple consists of {λ,λˉ,−λ,−λˉ}\{\lambda,\bar{\lambda},-\lambda,-\bar{\lambda}\}{λ,λˉ,−λ,−λˉ}. Next we consider the nonlinear evolution, using a method involving an iteration to calculate the potential at the next time step and Crank-Nicolson to evolve the Schrödinger equation. To absorb scatter we use a sponge factor which reduces the reflection back from the outer boundary condition and we show that the numerical evolution converges for different mesh sizes and time steps. Evolution of the ground state shows it is stable and added perturbations oscillate at frequencies determined by the linear perturbation theory. The higher states are shown to be unstable, emitting scatter and leaving a rescaled ground state. The rate at which they decay is controlled by the complex eigenvalues of the linear perturbation. Next we consider adding another dimension in two different ways: by considering the axisymmetric case and the 2-D equations. The stationary solutions are found. We modify the evolution method and find that the higher states are unstable. In 2-D case we consider rigidly rotationing solutions and show they exist and are unstable.
An important technique for teaching introductory wave mechanics is provided by the numerical calculation of stationary state solutions of the Schrödinger equation. Realistic problems in wave mechanics that do not require sophisticated computer techniques are very valuable for the instruction of undergraduates. In the central-field model for atoms, the calculation of electron states reduces to the solution of a one-dimensional differential equation whose numerical solutions are no more difficult to obtain than those for a finite square well. A method used by our students is discussed in this paper for the calculation of the electron wavefunctions in a central-field potential. By working this problem, students obtain meaningful results that give them insight into the theory of atomic structure. Results of their experience are included, and possibilities of extending this example are discussed.
Abstract We consider the finite potential well defined by V x < a = − V o 1 − x n a n ,where n is an integer. The Schrödinger equation is recast into dimensionless form; the size of the well is characterized by a single parameter α = 2 m V o a / ℏ . We use three different mathematical techniques to solve for the energy eigenvalues and wave functions. Analytic solutions are given for the triangular well ( n = 1), the parabolic well ( n = 2), and the square well ( n → ∞). The finite element method is used to obtain accurate numerical results for 1 ⩽ n ⩽ ∞ over a full range of α . Finally, both the energy and wave function are expanded in a Taylor series in order to study the analytic behavior of the ground state energy (as a function of n ) as α → 0.