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EPRA International Journal of Research & Development (IJRD)

SIMULATING THE DYNAMICS OF A PARTICLE IN A QUANTUM MECHANICAL OSCILLATOR: A MULTIDIMENSIONAL WAVE FUNCTION APPROACH

Mohammed Hashim Albashir, Hashim Gad Elseed, Hajhamed Diab, Naga Abdalaziz

Published Feb 6, 2023• 0 citations
Publisher

Abstract

This research paper presents a simulation of a particle in a quantum mechanical oscillator, modeled as a multidimensional wave function. The simulation was created by solving the time-dependent Schrodinger equation, which was discretized in both the spatial and time domains, and then approximated using a finite difference method. The objective of this research was to gain a deeper understanding of the behavior of a particle in a quantum mechanical oscillator and to provide visualizations and calculations of relevant physical observables. Initial conditions for the wave function, such as a Gaussian wave packet, were chosen and parameters for the simulation, such as the spatial step size and total simulation time, were set. The results of the simulation showed the evolution of the wave function over time, providing a clear picture of the particles behavior within the potential well of the oscillator. Additionally, physical observables, such as the average position, average kinetic energy, and average potential energy, were calculated and used to validate the simulation and the predictions of quantum mechanics. In conclusion, this research provides a comprehensive understanding of the behavior of a particle in a quantum mechanical oscillator and highlights the importance of simulations in advancing our knowledge of quantum mechanics. The results of this research can contribute to various fields, such as quantum computation and quantum control, and have the potential to drive further breakthroughs in these fields. KEYWORDS: Quantum mechanical oscillator, particle behavior, multidimensional wave function, Schrödinger equation, finite difference method, physical observables, simulation, quantum mechanics, quantum computation, quantum control.

DOI
10.36713/epra12360

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We develop methodology for performing time dependent quantum mechanical calculations by representing the wave function as a sum of Gaussian wave packets (GWP) each characterized by a set of parameters such as width, position, momentum, and phase. The problem of computing the time evolution of the wave function is thus reduced to that of finding the time evolution of the parameters in the Gaussians. This parameter motion is determined by minimizing the error made by replacing the exact wave function in the time dependent Schrödinger equation with its Gaussian representation approximant. This leads to first order differential equations for the time dependence of the parameters, and those describing the packet position and the momentum of each packet have some resemblance with the classical equations of motion. The paper studies numerically the strategy needed to achieve the best GWP representation of time dependent processes. The issues discussed are the representation of the initial wave function, the numerical stability and the solution of the differential equations giving the evolution of the parameters, and the analysis of the final wave function. Extensive comparisons are made with an approximate method which assumes that the Gaussians are independent and their width is smaller than the length scale over which the potential changes. This approximation greatly simplifies the calculations and has the advantage of a greater resemblance to classical mechanics, thus being more intuitive. We find, however, that its range of applications is limited to problems involving localized degrees of freedom that participate in the dynamic process for a very short time. Finally we give particular attention to the notion that the GWP representation of the wave function reduces the dynamics of one quantum degree of freedom to that of a set of pseudoparticles (each represented by one packet) moving according to a pseudoclassical (i.e., classical-like) mechanics whose ‘‘phase space’’ is described by a position and momentum as well as a complex phase and width.
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.
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Quantum mechanics describes phenomena that are key to understanding processes that cannot be explained by classical physics. This paper analyzes the behavior of particles in the presence of a potential barrier through numerical solutions to both time-dependent and time-independent Schrödinger equations. These results enabled a detailed understanding of the energy structure and temporal dynamics of wave functions, including the phenomenon of quantum tunneling. The obtained data have a wide range of applications in technology: from semiconductor devices to quantum computing.
Abstract Some results of computer simulation of the behavior of a one‐dimensional quantum mechanical oscillator are reported in this article. This harmonic oscillator comprises a particle trapped within a hyperbolic potential V (x) = x2. Further, a perturbation potential function V′(x, t) was superposed upon the hyperbolic potential in order to induce a quantum mechanical transition. This perturbation function V′(x, t) is a function of both of space and time variables, and is set to represent a wave packet that is enveloped by a Gaussian bell‐shaped curve. A wave that probably has an appropriate wave number and angular frequency was inputted into the expression for the wave packet. In the initial phase, while the harmonic oscillator was allowed to oscillate almost freely, the wave packet was allowed to approach the harmonic oscillator. In the middle phase, the wave packet passes through the harmonic oscillator, affecting the shape of the quantum mechanical wave that represents the physical state of the system. In the last phase, when the wave packet left the system of the harmonic oscillator, the system settled onto an energetically stable state. The main objective of the simulation was to simulate the instance of a quantum mechanical transition from one eigenstate to another. After several trials, it was found that the perturbation function consisting of a complex function was, at least superficially, able to cause one desired transition, that is, a transition from one eigenstate to another eigenstate. By using such a complex perturbation function, a transition from the first excited state to the ground state was observed to occur. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004