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International Journal of Mathematical Education in Science and Technology

An alternative method to obtain analytical solutions of the time-independent Schrödinger equation

Juan C. Morales, Carlos A. Arango

Published Feb 21, 2022• 0 citations
Publisher

Abstract

An alternative method for obtaining analytical solutions of the time-independent Schrödinger equation (TISE) is developed and applied to 1-dimensional model quantum systems of interest in atomic and molecular physics. The method is based on proposing a wave function that is a product of two functions, one of them an integrating factor. The differential equation resulting from operating the TISE on the product wave function is compared with a differential equation with a known solution. This comparison produces a system of differential equations for the integrating factor. This system of equations is easily solved for model quantum systems such as the harmonic oscillator, the hydrogen atom and the Morse oscillator. The method presented simplifies some approaches shown in textbooks, based on asymptotic analyses of the TISE, and power series methods with recurrence relations. In addition, the method presented here facilitates the understanding of the relationship between the ordinary differential equations of the mathematical physics and the TISE of physical models as the harmonic oscillator, the Hydrogen atom, and the Morse oscillator.

DOI
10.1080/0020739x.2022.2035003

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An alternative method for obtaining analytical solutions of the time-independent Schrödinger equation (TISE) is developed and applied to 1-dimensional model quantum systems of interest in atomic and molecular physics. The method is based on proposing a wave function that is a product of two functions, one of them an integrating factor. The differential equation resulting from operating the TISE on the product wave function is compared with a differential equation with a known solution. This comparison produces a system of differential equations for the integrating factor. This system of equations is easily solved for model quantum systems such as the harmonic oscillator, the hydrogen atom and the Morse oscillator. The method presented simplifies some approaches shown in textbooks, based on asymptotic analyses of the TISE, and power series methods with recurrence relations. In addition, the method presented here facilitates the understanding of the relationship between the ordinary differential equations of the mathematical physics and the TISE of physical models as the harmonic oscillator, the Hydrogen atom, and the Morse oscillator.
This research investigates the numeric solution of the time-independent Schrödinger equation for the quantum harmonic oscillator by finite difference approach. The harmonic oscillator, described by a quadratic function potential, is a fundamental model in quantum mechanics due to its broad applications, ranging from molecular vibrations to quantum field theory. The time-independent Schrödinger equation is a second-order differential equation that typically poses challenges when solved analytically for complex potentials. The finite difference method become an attractive choice as it transforms the continuous differential equation into a system of linear equations that can be computationally solved through computer programming code. In this study, the spatial domain is discretized, and the second derivative is calculated by using central differences, transforming the TISE into a tridiagonal matrix representing Hamiltonian of system. By finding solutions to this matrix eigenvalue problem, wavefunctions and eigenvalues are obtained. The study results demonstrate that the finite difference approach effectively solves the TISE for the harmonic oscillator. The results obtained by using the finite difference method closely approximate the analytical results. The linear regression results show respectively that the gradient (β1), regression coefficient (β0) and coefficient of determination (R²) approach ideal values of 1, 0, and 1. The z-test results also show that the value of calculated z < critical z, indicating that the wavefunction and probability density, whether estimated by using finite difference approach or analytical methods, are equivalent with confidence level of 95 percent.
This study presents a numerical solution to the time-independent Schrödinger equation (TISE) for the Rosen-Morse potential using the Galerkin method. The Rosen-Morse potential, commonly used in atomic and molecular physics, has known analytical solutions under certain conditions. By transforming the TISE into a Jacobi differential equation, the analytical wave function and energy levels can be derived. However, analytical solutions are limited to ideal cases, highlighting the need for numerical methods in more general scenarios. The Galerkin method is implemented by expanding the wave function using Sine basis functions and projecting the TISE onto this basis. The resulting eigenvalue problem is solved by constructing the Hamiltonian matrix from kinetic and potential energy operators. Numerical results from the Galerkin method are compared with analytical solutions using graphical analysis, percentage error (% error), and statistical tests, including the Mann-Whitney U test. The results demonstrate that the probability densities obtained using the Galerkin method closely approximate the analytical solution. This is visually evident from the overlapping of probability density plots from both methods. The percentage error of the probability densities is below 1 %, entirely. Furthermore, the Mann–Whitney U test yields a p-value less than 0.05, indicating that the differences between the two sets of probability densities are statistically insignificant at the 95% confidence level. These findings highlight the Galerkin method’s effectiveness and accuracy as a robust numerical tool for solving the TISE with the Rosen-Morse potential.
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 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.
A method has been introduced to derive the solution of the time-independent Schrodinger equation for the simple harmonic oscillator. A trial solution has been chosen as the product of the divergent part of the approximate asymptomatic solution of the Schrodinger equation and an unknown function. By inserting this trial solution into the same equation, an equation of that unknown function is obtained. This equation has a recursive property which has been exploited to obtain the solutions of the equation. It is all about reconstruction of the equation with different solutions of that unknown function by repetitive differentiation and that ultimately leads to the wave functions of the Schrodinger equation for harmonic oscillator.
A method has been introduced to derive the solution of the time-independent Schrodinger equation for the simple harmonic oscillator. A trial solution has been chosen as the product of the divergent part of the approximate asymptotic solution of the Schrodinger equation and an unknown function. Choosing the divergent exponential factor has an advantage. Because if the equation has to have a meaningful bound state solution, the other part of the product is compelled to converge faster than the diverging exponential, so that their product, which is the bound state solution, must converge at large distances. This requirement makes the other part an oscillatory function with (n+1) extrema when it has n nodes. Since its derivative vanishes at each of these extrema, its derivative necessarily possesses at least (n+1) nodes. Such a nodal structure is characteristic of the next higher bound state, motivating an investigation into whether the derivative of the remaining part is directly related to the wave function of the next higher energy eigen state. This investigation demonstrates that the wave functions of the harmonic oscillator can be generated by successively reconstructing the equations of the higher eigen states through repeated differentiation.