CRC Press eBooks

Operators and Bases

David K. Ferry

Published Nov 6, 2020• 0 citations

Abstract

In the past few chapters, the Schrödinger equation has been developed and applied to the solution of a number of quantum mechanical problems, mainly to develop experience with the results of simple and common systems. The results from these examples can be summarized relatively simply. In general, quantization enters the problem through the non-commuting nature of conjugate operators such as position and momentum as well as from classical boundary quantization. This has led to the Schrödinger equation itself being the primary equation of motion for the wave function solution to the problem. In essence, duality is incredibly important and is the basic method by which the electron is treated as a wave, rather than as a particle, and the wave equation of interest is the Schrödinger equation. When boundary conditions are applied, either through potential barriers or through the form of the potential (as in the harmonic oscillator), the time-independent Schrödinger equation yields solutions that are often special functions. Examples of this are the sines and cosines in the rectangular-barrier case, the Airy functions in the triangular-well case, and the Hermite polynomials in the harmonic oscillator case.

DOI: 10.1201/9781003717195-6

Related papers

Wave mechanics

Giampiero V. M. Esposito, Giuseppe Marmo, George Sudarshan

This chapter begins by exploiting the Einstein–de Broglie relation and the notion of symbol, as defined in Eq. (3.6.6). The following steps are the local and global conservation laws associated to the Schrödinger equation, the probabilistic interpretation of the wave function, the spreading of wave packets and transformation properties of wave functions. The solution of the Schrödinger equation for a given initial condition is then studied. For this purpose, one first expands the initial condition in terms of eigenfunctions of the Hamiltonian operator. This is then ‘propagated’ to determine the evolution of the wave function. Thus, one is led to consider the Green kernel of the Schrödinger equation, and the boundary conditions on the wave function that lead to complete knowledge of stationary states. A dynamics involving an isometric non-unitary operator is also studied. The chapter ends with an elementary introduction to harmonic oscillators and to the JWKB method in wave mechanics, plus examples on the Bohr–Sommerfeld quantization. From classical to wave mechanics The correspondence between differential operators and polynomials in k relies on the notion of the symbol defined in Eq. (3.6.6). Now we are aiming to pass from a function on phase space, i.e. the classical Hamiltonian, to an operator which, by analogy, is called the Hamiltonian operator. Such a transition is non-trivial because the map from symbols to operators contains some ambiguity. Such a transition is always possible if polynomials in p have constant coefficients. When this is not the case, i.e. if the coefficients are functions on the configuration space, there is an obvious ambiguity in the association of an operator with xp or px , for instance.

Cambridge University Press eBooksMar 11, 20040 citations

Alternative Methods of Solution and Approximation Methods

Abstract It is a common practice to approach quantum mechanics through the study of a few, exactly soluble examples using the Schrödinger equation in position-space. The number of potential energy functions for which such closed-form solutions are available is, however, quite small. Luckily, many of them actually correspond reasonably well to actual physical systems; examples include the infinite well as a model of a free particle ina “box “ (Chapters 5 and 7), the harmonic oscillator (Chapter 9), the rigid rotator (Chapter 16), and the Coulomb potential for the hydrogen atom (Chapter

Apr 13, 20060 citations

Quantum Principles and Particles, Second Edition

Walter Wilcox

QUANTUM PRINCIPLES Perspective and Principles Prelude to Quantum Mechanics Stern-Gerlach Experiment Idealized Stern-Gerlach Results Classical Model Attempts Wave Functions for Two Physical-Outcome Case Process Diagrams, Operators, and Completeness Further Properties of Operators/Modulation Operator Reformulation Operator Rotation Bra-Ket Notation/Basis States Transition Amplitudes Three-Magnet Setup Example-Coherence Hermitian Conjugation Unitary Operators A Very Special Operator Matrix Representations Matrix Wave Function Recovery Expectation Values Wrap Up Problems Free Particles in One Dimension Photoelectric Effect Compton Effect Uncertainty Relation for Photons Stability of Ground States Bohr Model Fourier Transform and Uncertainty Relations Schrodinger Equation Schrodinger Equation Example Dirac Delta Functions Wave Functions and Probability Probability Current Time Separable Solutions Completeness for Particle States Particle Operator Properties Operator Rules Time Evolution and Expectation Values Wrap-Up Problems Some One-Dimensional Solutions to the Schrodinger Equation Introduction The Infinite Square Well: Differential Solution The Infinite Square Well: Operator Solution The Finite Potential Barrier Step Potential The Harmonic Oscillator The Attractive Kronig-Penny Model Bound State and Scattering Solutions Problems Hilbert Space and Unitary Transformations Introduction and Notation Inner and Outer Operator Products Operator-Matrix Relationship Hermitian Operators and Eigenkets Gram-Schmidt Orthogonalization Process Compatible Operators Uncertainty Relations and Incompatible Operators Simultaneously Measureable Operators Unitary Transformations and Change of Basis Coordinate Displacements and Unitary Transformations Schrodinger and Heisenburg Pictures of Time Evolution Free Gaussian Wave Packet in the Heisenberg Picture Potentials and the Ehrenfest Theorem Problems Three Static Approximation Methods Introduction Time-Independent Perturbation Theory Examples of Time-Independent Perturbation Theory Aspects of Degenerate Perturbation Theory WKB Semiclassical Approximation Use of the WKB Approximation in Barrier Penetration Use of the WKB Approximation in Bound States Variational Methods Problems Generalization to Three Dimensions Cartesian Basis States and Wave Functions in Three Dimensions Position/Momentum Eigenket Generalization Example: Three-Dimensional Infinite Square Well Spherical Basis States Orbital Angular Momentum Operator Effect of Angular Momentum on Basis States Energy Eigenvalue Equation and Angular Momentum Complete Set of Observables for the Radial Schrodinger Equation Specification of Angular Momentum Eigenstates Angular Momentum Eigenvectors and Spherical Harmonics Completeness and Other Properties of Spherical Harmonics Radial Eigenfunctions Problems QUANTUM PARTICLES The Three-Dimensional Radial Equation Recap of the Situation The Free Particle The Infinite Spherical Well Potential The Deuteron The Coulomb Potential: Initial Considerations The Coulomb Potential: 2-D Harmonic Oscillator Comparison The Confined Coulombic Model Problems Addition of Angular Momenta General Angular-Momentum Eigenstate Properties Combining Angular Momenta for Two Systems Explicit Example of Adding Two Spin 1/2 Systems Explicit Example of Adding Orbital Angular Momentum and Spin 1/2 Hydrogen Atom and the Choice of Basis States Hydrogen Atom and Perturbative Energy Shifts Problems Spin and Statistics The Connection between Spin and Statistics Building Wave Functions with Identical Particles Particle Occupation Basis More on Fermi-Dirac Statistics Interaction Operator and Feynman Diagrams Implications of Detailed Balance Cubical Enclosures and Particle States Maxwell-Boltzmann Statistics Bose-Einstein Statistics Fermi-Dirac Statistics The Hartree-Fock Equations Problems Quantum Particle Scattering Introduction The One-Dimensional Integral Schrodinger Equation Reflection and Transmission Amplitudes One-Dimensional Delta-Function Scattering Step-Function Potential Scattering The Born Series The Three-Dimensional Integral Schrodinger Equation The Helmholtz Equation and Plane Waves Cross Sections and the Scattering Amplitude Scattering Phase Shifts Finite-Range Potential Scattering The Three-Dimensional Born Series Identical Particle Scattering Proton-Proton Scattering Problems Connecting to the Standard Model Introduction Discrete Symmetries Parity Time Reversal Charge Conjugation Particle Primer Particle Interactions Quantum Electrodynamics Quantum Chromodynamics Weak Interactions Beyond the Standard Model Supersymmetry Superstrings Postlude Helpful Introductory Books on Particle and String Physics More Advanced Books on Particle and String Physics Problems Appendix: Notation Comments and Comparisons Appendix: Lattice Models Appendix: 2-D Harmonic Oscillator Wave Function Normalization Appendix: Allowed Standard Model Interactions Appendix: Weak Flavor Mixing Appendix: The Ising Model and More Index

Aug 27, 20190 citations

Quantum mechanical density matrix

J. W. Halleý

For systems which obey quantum mechanics, the formulation of the problem of treating large numbers of particles is, of course, somewhat different than it is for classical systems. The microscopic description of the system is provided by a wave function which (in the absence of spin) is a function of the classical coordinates { q i }. The mathematical model is provided by a Hamiltonian operator H which is often obtained from the corresponding classical Hamiltonian by the replacement p i → ( ħ /i)(∂/∂ q i ). In other cases the form of the Hamiltonian operator is simply postulated. The microscopic dynamics are provided by the Schrödinger equation i ħ (∂Ψ/∂ t ) = H Ψ which requires as initial condition the knowledge of the wave function Ψ({ q i }, t ) at some initial time t 0 . (Boundary conditions on Ψ({ q i }, t ) must be specified as part of the description of the model as well.) The results of experiments in quantum mechanics are characterized by operators, usually obtained, like the Hamiltonian, from their classical forms and termed observables. Operators associated with observables must be Hermitian. In general, the various operators corresponding to observables do not commute with one another. It is possible to find sets of commuting operators whose mutual eigenstates span the Hilbert space in which the wave function is confined by the Schrödinger equation and the boundary conditions. A set of such (time independent) eigenstates, termed ψ ν ( q ), is a basis for the Hilbert space.

Cambridge University Press eBooksNov 16, 20060 citations

Quantum Mechanics

Michael A. Parker

This chapter begins by developing the relation between the quantum theory and the linear algebra. It discusses the most fundamental postulates of the theory and provides a phenomenological development of the Schrödinger wave equation (SWE) although the results might be gleaned from the classical Lagrangian and Hamiltonian with the Poisson bracket relations. Afterward some simple examples for the inﬁnitely and ﬁnitely deep wells help clarify the basic postulates. The simple harmonic oscillator has perhaps the most sweeping implications and applications for the quantum theory. For this reason, we present the most applicable formalism for the Harmonic oscillator that uses the operator approach rather than the classical method of partial differential equations. The angular momentum and spin are presented for the study of the atom and for applications for nanodevices, and quantum computing. Next the representation formalism clariﬁes the distinction between the dynamical operators and the wave functions and their interrelations. The chapter discusses both timeindependent and time-dependent perturbation theories. The density operator combines the quantum theory with the classical theory for ﬁnding the behavior of a system. The density operator represents one of the basic concepts in the quantum theory. The remainder of the chapter introduces the more advanced material meant to introduce the quantum ﬁeld theory starting with the second quantization and the propagator.

CRC Press eBooksDec 16, 20090 citations

The Time-Dependent Schrödinger Equation

Reinhold A. Bertlmann, Nicolai Friis

Abstract The second chapter introduces the notion of wave functions and their equation of motion proposed by Erwin Schrödinger. The interpretation and normalization of the wave function are discussed, leading to the continuity equation. The chapter also introduces basic mathematical operations that can be carried out for wave functions and operators, describing e.g., how to calculate scalar products and commutators, as well as expectation values and variances of observables. With these tools at hand, Heisenberg’s uncertainty principle is re-examined, focusing on the example of a Gaussian wave packet, which is studied both in position space and momentum space. We also discuss the time evolution of general states and of the exemplary wave packet. Finally, we will see how classical physics is recovered as a limiting case of the quantum-mechanical description

Sep 7, 20230 citations