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CRC Press eBooks

One-dimensional Eigen-problem

Tao Xiang

Published Mar 31, 2022• 0 citations
Publisher

Abstract

This chapter solves the eigen-problems for a few simple one-dimensional systems to acquire experience in solving the Schrodinger eigen-equation. One-dimensional problems are physically interesting not only because they are simple, but also because a number of more complicated higher-dimensional problems can be reduced to the solutions of equations in one dimension. For a symmetric potential, an eigenfunction of the Schrödinger equation can be always chosen to have a definite parity. The probability density of the plane wave solution is a constant, independent of the spatial coordinate of the particle. The eigensolution of a particle in an infinite square well consists of an infinite number of discrete energy levels. In classical mechanics, a particle cannot penetrate a potential barrier whose height is higher than the energy of the particle.

DOI
10.1201/9781003174882-2

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This chapter solves the eigen-problems for a few simple one-dimensional systems to acquire experience in solving the Schrodinger eigen-equation. One-dimensional problems are physically interesting not only because they are simple, but also because a number of more complicated higher-dimensional problems can be reduced to the solutions of equations in one dimension. For a symmetric potential, an eigenfunction of the Schrödinger equation can be always chosen to have a definite parity. The probability density of the plane wave solution is a constant, independent of the spatial coordinate of the particle. The eigensolution of a particle in an infinite square well consists of an infinite number of discrete energy levels. In classical mechanics, a particle cannot penetrate a potential barrier whose height is higher than the energy of the particle.
The Schrödinger equation assumes that a particle behaves as a wave and yields a solution in terms of wave function and the energy of the particle under consideration. Once the wave function is known, then everything about the particle can be deduced from the wave function. This chapter covers the development of the Schrödinger wave equation and its applications to one-dimensional systems. Time-dependent and time-independent Schrödinger equations, bound and scattering states, probability density, probability current and expectation values, the solution of the time-independent 1D-Schrödinger equation for a free particle, infinite as well as finite potential wells, potential steps, and the finite potential barrier are discussed in detail in the chapter. The phenomenon of tunneling, relevance and the importance of the free particle, potential wells and potential barriers to contemporary fields of physics and chemistry, periodic solids and their band structures, the Kronig-Penney model, confined states in quantum wells, and wires and dots are other topics presented in innovative manners in the chapter. The importance of the topics presented here is demonstrated through carefully chosen solved examples and unsolved exercises from contemporary fields of sciences.
The wave nature of particles plays an important role in their physical properties that, for example, particles confined into a small bounded area can have only particular discrete energies. This chapter explains how to solve the time-independent Schrodinger equation. It considers four cases of a one-dimensional motion of particles confined in potentials rapidly changing with x : infinite potential quantum well; a potential step; square-well potential; and tunneling through a potential barrier. The chapter helps to learn the characteristic properties of solutions to this equation. It shows the differences between the predictions of quantum mechanics and classical physics. Quantum tunneling is important in the understanding of a number of physical phenomena such as thermonuclear reactions and conduction in metals and semiconductors. The most advanced application of quantum tunneling is the scanning tunneling microscope. The details of the calculations are left for the readers as a tutorial problem.
Synopsis: At this point we are equipped to solve some simple but fundamental one-dimensional problems with the Schrödinger equation. After setting the stage with an introduction, four quantum mechanical problems are specified and solved. Along the way, we encounter important concepts such as parity in the case of the infinite well and harmonic oscillator problems, transmission and reflection coefficients in the case of the finite barrier, and energy bands and gaps in a model of conduction in solids. Raising and lowering ladder operators are introduced in the harmonic oscillator and square well cases. I conclude with some qualitative comments regarding expected types of solutions in one-dimensional problems.
Synopsis: At this point we are equipped to solve some simple but fundamental one-dimensional problems with the Schrödinger equation. After setting the stage with an introduction, four quantum mechanical problems are specified and solved. Along the way, we encounter important concepts such as parity in the case of the infinite well and harmonic oscillator problems, transmission and reflection coefficients in the case of the finite barrier, and energy bands and gaps in a model of conduction in solids. Raising and lowering ladder operators are introduced in the harmonic oscillator and square well cases. I conclude with some qualitative comments regarding expected types of solutions in one-dimensional problems.
Part 1: the need for the quantum mechanics quantization of radiation the special theory of relativity wave-particle duality the nature of matter waves the uncertainty principle the Bohr atom. Part 2 Schrodinger's equation: the postulates of quantum mechanics the wave equation the wave equation in three dimensions the time-independent Schrodinger equation stationary states normalisation probability flux physical constraints on the wave-function wave packets Gaussian wave-packets and the uncertainty principle. Part 3 One-dimensional potential wells: potential wells the one-dimensional infinite square well discussion of infinite square-well results eigenvalue equations the finite square well finite square well eigenfunctions the control of the wave-function by the wave equation numerical integration of Schrodinger's equation continuum solutions of the square-well potential interpretation of unbound-particle wave functions the double potential well the quantum bouncer electric fields and the tilted well the harmonic oscillator - introduction the quantum oscillator discussion of harmonic oscillator eigenvalues and eigenfunctions the classical probability density more potential wells. Part 4 Schrodinger's equation in three dimensions: particle in a three dimensional box degeneracy Schrodingers equation in spherical polar coordinates - the hydrogen atom normalisation. Part 5 Formal development of quantum mechanics: eigenvalues equations, operators and measurements the momentum operator, eigenvalues and eigenfunctions the position operator and its eigenfunctions Hermitian operators orthogonality of eigenfunctions the expansion postulate example - the b-decay of tritium expectation values compatibility of observables - commutators non-commuting operators time-dependence of expectation values - Ehrenfest's theorem abstract operators - the parity operator, matrix mechanics. Part 6 Angular momentum: angular momentum operators angular momentum commutators angular momentum eigenvalues and eigenfunctions interpretation of angular momentum eigenvalues interpretation of angular momentum eigenfunctions the Stern-Gerlach apparatus and electron spin spin operators - the Pauli Spin matrices the Zeeman effect measurements in quantum mechanics. Part 7 Spherically symmetric potential wells: the rigid rotator the radial equation the hydrogen atom and hydrogen like ions the isotropic harmonic oscillator molecular vibrations - the Morse potential the spherical square well general properties of spherically symmetric potential wells. (Part contents)
In the previous chapter we saw that for a particle in a one-dimensional potential well, physically acceptable solutions to the one-dimensional Schro¨dinger equation are possible only for particular discrete values of the total energy. Moreover, in the case of an electron in a well of atomic dimensions, the spacings between these energy levels are in qualitative agreement with the separations experimentally observed in atoms; we also interpreted the square of the wave function as a probability distribution for the position of the particle. These ideas led us to phenomena, such as quantum-mechanical tunnelling, that have been observed experimentally. The real world, however, is three-dimensional and, although one-dimensional examples often provide useful insights and analogies, we shall have to extend our theory into three dimensions before we can make quantitative predictions of most experimental results. In the present chapter, therefore, we shall set up the three-dimensional Schro¨dinger equation and obtain its solutions in a number of cases, culminating in a discussion of the hydrogen atom where we shall find that theory and experiment agree to a remarkable degree of accuracy.