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Vālasān vithanyāsāt mahāvithanyālai Suphānuvong.

Solving Numerically Schrödinger Equation for Confined Particle in the Finite Potential Well

B. Bounthong

Published Jun 20, 2022• 0 citations
OpenAlex

Abstract

The quantum model of finite potential well is a most subject in the book of quantum mechanics. The solutions maybe derive from one dimension Schrödinger’s equation for describe a bound state energy of confined particle in the finite potential well. Sometime, the problem of confined particle in the finite potential well does not have an exact solution yet, but there are in fact exact solution.In this work a numerical technique is adopted to find the exact solution for the quantum model of finite potential well. To achieve this numerical solution, I use Fortran code computer program by the Newton-Raphson method for calculating the Eigen state energy for a particle (electron) confined in the finite potential well. Five values of potential width and depth have studied, the results showed that large potential width and large potential depth led me to more bound states, while smaller potential width and depth led me to fewer bound states.A comparison between infinite potential and finite potential has been presented. The results bound state energy and penetration. The results of comparison showed that the wave function of particle confined in the infinite potential cannot penetrate in the well, while the wave function of particle in the finite potential was penetrate in the well; the energy levels of an infinite well are much higher than that the corresponding energy levels for finite potential well. For confined particle in 2 or 3-dimension, we can reduce from result of 1-dimension.

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The quantum model of finite potential well is a most subject in the book of quantum mechanics. The solutions maybe derive from one dimension Schrödinger’s equation for describe a bound state energy of confined particle in the finite potential well. Sometime, the problem of confined particle in the finite potential well does not have an exact solution yet, but there are in fact exact solution.In this work a numerical technique is adopted to find the exact solution for the quantum model of finite potential well. To achieve this numerical solution, I use Fortran code computer program by the Newton-Raphson method for calculating the Eigen state energy for a particle (electron) confined in the finite potential well. Five values of potential width and depth have studied, the results showed that large potential width and large potential depth led me to more bound states, while smaller potential width and depth led me to fewer bound states.A comparison between infinite potential and finite potential has been presented. The results bound state energy and penetration. The results of comparison showed that the wave function of particle confined in the infinite potential cannot penetrate in the well, while the wave function of particle in the finite potential was penetrate in the well; the energy levels of an infinite well are much higher than that the corresponding energy levels for finite potential well. For confined particle in 2 or 3-dimension, we can reduce from result of 1-dimension.
The quantum Finite Square Well (FSW) model is a well-known topic in most quantum mechanics (QM) books.A couple of equations can be derived from one dimensional Schrodinger equation for a finite potential well for describing the bound Eigen states within the well.Sometimes the FSW problem does not have an exact solution, yet, there are in fact exact solutions.In this work a computational techniques is adopted to find the exact solution for FSW.To achieve this computational solution, a computer program has been written in Basic language for calculating the Eigen state energy for a particle confined in finite potential well using the iterative method (IM).Six values of potential width have been studied with potential depth.The results showed that wider potential width led us to more bound states, while narrower potential width led us to less bound states.Six values of potential depth have been studied with potential width.The results showed that larger potential depth led us to more bound states, while smaller potential width led us to less bound states.A Comparison Between Finite and Infinite Potential Well has been also presented.The result of comparison showed that energy levels of an infinite well are much higher than that the corresponding energy levels for finite potential well.In general, the matching between the results of the iterative method and the graphical method (GM) proving that the iteration method can be regarded as a useful tool for describing the solutions of the 1-dimensional FSW problem.
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.
This paper investigates applying the approximate method; Graphical Solution Method (GSM), to theoretically solve the Time Independent Schrödinger Equation (TISE) in one dimension for a finite square well using MATLAB. With just few lines of MATLAB coding, calculating and plotting accurate eigenvalues (energy), eigenvectors (wave functions) and the bound eigenstates are possible for the finite square well of a negative potential (depth of the well) of -400 eV and a well width of 0.1 nm for an electron confined to this quantum well. These eigenvalues, eigenvectors and eigenstates are obtained and discussed. The found energy eigenvalues and states are discrete and yield physical acceptable solutions. The even and odd solutions of the TISE are also considered. The graphical solutions for the finite potential well are shown. The locations of discrete eigenvalues for even and odd solutions are also presented. These eigenvalues are tested confirming the correct eigenfunctions. The precision of these solutions depend on well width L and on the interval dx used to integrate the equation. Exact analytical solutions for this case are obtained and compared with results from the GSM. The accuracy and the convergence of the numerical results are easily checked. The results showed that the GSM can be considered as a suitable mean for determining the one dimensional solutions for the finite square well.
The one-dimensional finite-depth potential well problem under certain boundary conditions discussed in this paper is mainly the eigenvalue problem in quantum mechanics. The basis of this article is the solution of Schrodinger equation and the treatment of transcendental equation. In many quantum mechanics textbooks, the one-dimensional infinite potential well problem is regarded as the foundation of quantum mechanics because it is easy to handle and understand. On this basis, this paper discusses the more challenging finite-depth potential well situation. In this paper, the transcendental equation is obtained by analogy between the wave function with time and the continuity of the boundary conditions. In order to solve the problem that transcendental equation is difficult to solve in this process, this paper adopts the method of solving numerical solutions by using images, which includes two different cases of odd and even functions. This paper reveals the possibility of particles appearing outside the well in this problem, and on this basis, some discussions and analysis are made on the one-dimensional asymmetric finite-depth potential well problem.
By solving the Schrodinger equations in three-dimensional (3D) and two-dimensional (2D) finite depth center spherically symmetric square potential well, the eigenequations of bounded energy levels and their distributions are obtained, and the analytical solution for any bound state wave function is given. Both the eigenequations of the energy levels as well as the stationary state wave functions are closely related to the (spherical) Bessel functions. It is found that for the 3D case, there exists a bound solution when 2μa2V0/ħ2>π2/4 is present. While for the 2D case, there exists a bound state if 2μa2V0/ħ2>0.1993. Finally, numerical methods are used to analyze the characteristics of probability density distribution of different quantum states. It is found that in both three-dimensional and two-dimensional situations, the maximum number of probability density distributions inside the well corresponds exactly to the quantum number n. The larger n or the smaller α is, the higher the probability of discovering particles outside the well. In addition, the angular momentum quantum number l or m can characterize the degree to which particles deviate from the center or the uniform distribution.
Schrodinger equations are widely used in solving a variety of problems, one of them is particles in a box in especially of potential wells bound state. Particle in a box is a discrete circumstances, so we must examined whether or not the degeneration of these particles. The Schrodinger equation analysed to get a form of modeling of energy levels and wave functions in potential wells of the circumstance used numerical method. We also can show energy level of each state from the model. The numerical approaches is finnite difference method using  Matlab R2010 software. Numerical calculation shows k value. k 1 and k 3 gets from solution of cos equation, whereas k 2 and k 4 gets from solution of sin equation. The k value is used to know the energy level in potential wells. energy level model show wave fucntion. In potential well bound state, Energy level and wave functions be smaller when potential energy is high and it is high when potential when potential energy is small. When wide of potential well is smaller, energy level and wave function be smaller too. But there isn’t show energy level and wave function when wide of potential well is high. The shape of energy level and and wave function of particle in box.