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Solving Two-Dimensional Schrödinger Equation for a Double Well Potential Using Analytical and Variational Methods

Kathryn Chain, Dylan Herrmann, Julio Navas

Published Mar 22, 2024• 0 citations

Abstract

The Schrödinger equation serves as a pivotal differential equation, capturing the fundamental duality of particles as both matter and waves. Upon solving it, we derive a particle's wave function within a given potential, delineating the confines within which the particle operates. This wave function enables us to ascertain the "most probable" values for parameters such as position, momentum, and energy within the specified potential. In this study, we focus on the double-well potential in two dimensions, resembling a bowl-like structure. Specifically tailored equations, termed Equation 1 and Equation 2, stem from the general Schrödinger equation when applied to the prescribed conditions. This research aims to utilize these equations to describe a particle’s behavior within the ground and the first excited states of the double well potential, employing two distinct methodologies. The first methodology involves leveraging the variational method on Equations 1 and 2 to obtain approximate solutions, providing crucial inputs for our subsequent approach. The second methodology serves as entails an analytical solution of Equations 1 and 2. A comparative analysis of the outcomes from both methods is anticipated to ensure the coherence and validity of the variational method. This project integrates key principles and proficiencies from both physics and mathematics disciplines, offering a platform for honing practical skills in applying these methodologies within a real-world context.

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The Schrödinger equation serves as a pivotal differential equation, capturing the fundamental duality of particles as both matter and waves. Upon solving it, we derive a particle's wave function within a given potential, delineating the confines within which the particle operates. This wave function enables us to ascertain the "most probable" values for parameters such as position, momentum, and energy within the specified potential. In this study, we focus on the double-well potential in two dimensions, resembling a bowl-like structure. Specifically tailored equations, termed Equation 1 and Equation 2, stem from the general Schrödinger equation when applied to the prescribed conditions. This research aims to utilize these equations to describe a particle’s behavior within the ground and the first excited states of the double well potential, employing two distinct methodologies. The first methodology involves leveraging the variational method on Equations 1 and 2 to obtain approximate solutions, providing crucial inputs for our subsequent approach. The second methodology serves as entails an analytical solution of Equations 1 and 2. A comparative analysis of the outcomes from both methods is anticipated to ensure the coherence and validity of the variational method. This project integrates key principles and proficiencies from both physics and mathematics disciplines, offering a platform for honing practical skills in applying these methodologies within a real-world context.

The restrictions of micro-scale systems are approaching rapidly. In anticipation of this development, nano-scale electronics has become the focus of many researchers and engineers in academia and industry since early 1990s. The basic building blocks of modern integrated circuits have been diodes and transistors with their current-voltage I-V characteristics being of prime significance for the design of complex signal processing and shaping devices and systems. Classical and semi-classical physical principles are no longer powerful enough or even valid to describe the phenomena involved. The application of rich and powerful concepts in quantum theory has become indispensable. These facts have been influential in undertaking this research project. This research is built upon the determination of the Eigenpairs of one and two dimensional positive differential operators with periodic boundary conditions. The Schrödinger equation was solved for positive operators in both one and two dimensions. Fourier series were used to express the derivatives as the summation of Fourier terms. This led to a novel approach for the calculation of the eigenmodels of a perturbed potential well. The perturbation can be done via an electric field applied to the potential well. The research in this thesis includes a thorough understanding of quantum mechanics fundamentals, mastering of different approximation techniques such as the variational technique and results that have been generated and published using the novel techniques.

The goal of the dissertation is to find new method of solving two-dimensional Schrödinger equation in such cases, when the separation of the variables is not applicable. The results are applied to the two-dimensional Schrödinger equation with the potentials of the form of the quartic polynomial, of the sextic polynomial and of the quartic Morse potential. For these cases, the analytical formulae for the ground state wave functions and the corresponding energies have been found. For the specific class of the potentials of the form of the quartic polynomial, analytical formula for one of the excited states and for the corresponding energy have been found.

Research has been carried out to determine the physical meaning and derivation of the Schrodinger equation with the literature study research method. Based on the research results obtained through data processing in the form of information obtained from various literature sources, it can be concluded that the general solution of the Schrodinger equation is a wave function. In general, based on mathematical calculations by applying the technique of solving differential equations to the Schrodinger equation, it can be seen that this equation has many solutions, but not all of these solutions can be said to be functions that meet the wave function criteria. This wave function must be able to interpret the real physical criteria of a particle.

Abstract The equation of Schrodinger is a fundamental mathematical framework used to clarify the motion of the wave form, which is a phenomenon in the field of quantum physics. A method's wave function contains the complete description of its particles. The computational solution of the Schrodinger problem is a multifaceted problem. The eigenvalues and typical functions of the modified Kratzer plus Hulthen potential were ascertained analytically in this study. This study used an estimating approach that Nikiforov-Uvarov functional analysis had suggested for dealing with the problem. Estimating energy spectra and applying the results to certain specific diatomic molecules was the aim. The excellent results obtained from this strategy were confirmed by comparing our eigenvalue data with additional numerical data that was gathered by other researchers.

Abstract The equation of Schrodinger is a fundamental mathematical framework used to clarify the motion of the wave form, which is a phenomenon in the field of quantum physics. A method's wave function contains the complete description of its particles. The computational solution of the Schrodinger problem is a multifaceted problem. The eigenvalues and typical functions of the modified Kratzer plus Hulthen potential were ascertained analytically in this study. This study used an estimating approach that Nikiforov-Uvarov functional analysis had suggested for dealing with the problem. Estimating energy spectra and applying the results to certain specific diatomic molecules was the aim. The excellent results obtained from this strategy were confirmed by comparing our eigenvalue data with additional numerical data that was gathered by other researchers.