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The Time-Dependent Schrödinger Equation

Reinhold A. Bertlmann, Nicolai Friis

Published Sep 7, 2023• 0 citations
Publisher

Abstract

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

DOI
10.1093/oso/9780199683338.003.0002

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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
Abstract In this chapter, the main features of quantum theory are presented. The chapter begins with a historical account of the invention of quantum mechanics. The meaning of position and momentum in quantum mechanics is discussed and non-commuting operators are introduced. The Schrödinger equation is presented and solved for a free particle and for a harmonic oscillator potential in one dimension. The meaning of the wavefunction is considered and the probabilistic interpretation is presented. The mathematical machinery and language of quantum mechanics are developed, including Hermitian operators, observables and expectation values. The uncertainty principle is discussed and the uncertainty relations are presented. Scattering and tunnelling by potential wells and barriers is considered. The use of variational principles to estimate ground state energies is explained and illustrated with a simple example.
In this chapter, we first discuss the photoelectric effect, its characteristics, and Einstein's approach to this phenomenon. This is followed by the Compton effect and the wave-particle duality. The concept of De Broglie wave, wave packet, phase velocity, and group velocity follows this. Then comes the Heisenberg uncertainty principle with application and energy-time uncertainty. Features of a well-defined wave function and its normalization are discussed. Time-dependent and time-independent Schrödinger equation with an application is described. The problem of a particle in a box has been discussed, and the energy eigenvalue and eigen wave function have been determined under suitable boundary conditions.
Explicitly time-dependent Hamiltonians are ubiquitous in applications of quantum theory. It is therefore necessary to solve the time-dependent Schrödinger equation directly. The system’s dynamics is associated with a unitary time-evolution operator (a propagator), formally given as an infinite Dyson series. Time-dependent observables are invariant under unitary time-dependent transformations, where it is sometimes useful to transform the time-evolution from the states into the corresponding operators. This is carried out in part (in full) by transforming to the interaction (Heisenberg) picture. The corresponding equations of motion for the time-dependent operators are introduced. For quadratic potential energy functions, the time evolution of quantum expectation values coincides with the corresponding classical dynamics. This is demonstrated and analyzed in detail for Gaussian wave packets and a coherent state. Finally, we derive exact and approximate expressions for time-dependent transition probabilities and transition rates between quantum states. The validity of time-dependent perturbation theory is analyzed by comparison to exact dynamics.
Till 1925 the idea of what the quantum theory would be was unknown. During 1925 three different but equivalent versions of quantum theory were proposed – Schrödinger-proposed wave mechanics; Heisenberg-developed matrix mechanics and Dirac-introduced operator theory. Considering the de Broglie’s matter waves Erwin Schrödinger, an Austrian physicist, argued that if a particle like an electron behaves as a wave then the equation of wave motion could be successfully applied to it. He postulated a function varying in both space and time in a wave-like manner (hence called wave function and denoted it as ψ). This function is generally complex and assumed to contain information about a system. Schrödinger set up a linear and time-dependent wave-like equation, called Schrödinger wave equation, to describe the wave aspect of a particle taking account of de Broglie’s relation for wavelength. Physically, |ψ(X, t)|2, where ψ(X, t) is the solution of the Schrödinger equation, is interpreted as position probability density. That is, |ψ(X, t)|2 is the probability density of observing a particle at position X at time t. ψ does not give exact outcomes of observations but helps us to know all possible events and their probabilities . Further, the probability interpretation allows us to find the average or expected result of a set of measurements on a quantum system.
Assuming a background in basic classical physics, multivariable calculus, and differential equations, A Concise Introduction to Quantum Mechanics provides a self-contained presentation of the mathematics and physics of quantum mechanics. The relevant aspects of classical mechanics and electrodynamics are reviewed, and the basic concepts of wave-particle duality are developed as a logical outgrowth of experiments involving blackbody radiation, the photoelectric effect, and electron diffraction. The Copenhagen interpretation of the wave function and its relation to the particle probability density is presented in conjunction with Fourier analysis and its generalization to function spaces. These concepts are combined to analyze the system consisting of a particle confined to a box, developing the probabilistic interpretation of observations and their associated expectation values. The Schrödinger equation is then derived by using these results and demanding both Galilean invariance of the probability density and Newtonian energy-momentum relations. The general properties of the Schrödinger equation and its solutions are analyzed, and the theory of observables is developed along with the associated Heisenberg uncertainty principle. Basic applications of wave mechanics are made to free wave packet spreading, barrier penetration, the simple harmonic oscillator, the Hydrogen atom, and an electric charge in a uniform magnetic field. In addition, Dirac notation, elements of Hilbert space theory, operator techniques, and matrix algebra are presented and used to analyze coherent states, the linear potential, two state oscillations, and electron diffraction. Applications are made to photon and electron spin and the addition of angular momentum, and direct product multiparticle states are used to formulate both the Pauli exclusion principle and quantum decoherence. The book concludes with an introduction to the rotation group and the general properties of angular momentum.
This chapter begins by exploiting the Einstein–de Broglie relation and the notion of symbol. The following steps are the local and global conservation laws associated with the Schrödinger equation, probabilistic interpretation of the wave function and probability distribution, the spreading of wave packets and transformation properties of wave functions. In the last part, the Heisenberg picture is outlined at an introductory level. From classical to wave mechanics In the previous chapter we have seen how to go from wave equations on space–time to Hamilton equations on phase space by means of an appropriate approximation requirement on wave solutions. In more formal language, we could say we have considered a procedure to associate a Hamiltonian ordinary differential equation on phase space starting with a partial differential equation on configuration space. This association produces a correspondence between differential operators and polynomials on phase space, which relies on the notion of symbol (see below). 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 physically non-trivial because it amounts to building a wave equation from the equation on rays. From the formal point of view it appears to contain some ambiguities. Such a transition is always possible if polynomials in p have constant coefficients.