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Oxford University Press eBooks

Wavefunctions

Gary E. Bowman

Published Nov 1, 2007• 0 citations
Publisher

Abstract

This chapter focuses on a basic but systematic treatment of wavefunctions. By comparison with a spin 1/2 system, the concept of a wavefunction as a collection of coefficients is developed, followed by discussions of eigenstates, operators, and representations in the context of wavefunctions. Transformation from position to momentum representation is effected by a Fourier transform. This is developed next, and illustrated for a Gaussian. The discussion of phases and time evolution in earlier chapters is now applied to wavefunctions, and the time evolution of a free particle discussed. The concept of a wavepacket and its suitability for representing particles follows. A topic of some subtlety — and one which is discussed in detail — is the use of bra-ket (Dirac) notation for wavefunctions. The chapter closes with a short epilogue.

DOI
10.1093/acprof:oso/9780199228928.003.0012

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This chapter focuses on a basic but systematic treatment of wavefunctions. By comparison with a spin 1/2 system, the concept of a wavefunction as a collection of coefficients is developed, followed by discussions of eigenstates, operators, and representations in the context of wavefunctions. Transformation from position to momentum representation is effected by a Fourier transform. This is developed next, and illustrated for a Gaussian. The discussion of phases and time evolution in earlier chapters is now applied to wavefunctions, and the time evolution of a free particle discussed. The concept of a wavepacket and its suitability for representing particles follows. A topic of some subtlety — and one which is discussed in detail — is the use of bra-ket (Dirac) notation for wavefunctions. The chapter closes with a short epilogue.
Abstract Chapter 1 opens with a brief review of some basic features of quantum mechanics, including the Schrödinger equation, linear and angular momentum and the theory of the hydrogenic atom: It also includes complete orthonormal sets of eigenfunctions, the translation operator, current, spin, equation of continuity, gauge transformation, determinant & permanent multiparticle energy eigenfunctions for noninteracting particles and the Pauli exclusion principle. Attention is then focused on Dirac bra-ket notation and complete sets of commuting observables. In this connection, representations and transformation among representations are discussed in detail for the Schrödinger system state vector and the eigenstates, as well as bra-ket matrix elements of operators. Finally, Schwinger’s interpretation of ket-bra matrix operator structures (Schwinger “Measurement Symbols”) in terms of annihilation and creation of systems in eigenstates is introduced.
We summarize below some of the postulates and definitions basic to our formalism, and present some important results based on these postulates. The formalism is purely mathematical in nature with very little physics input, but it provides the structure within which the physical concepts that will be discussed in the later chapters will be framed. State vectors It is important to realize that the Quantum Theory is a linear theory in which the physical state of a system is described by a vector in a complex, linear vector space. This vector may represent a free particle or a particle bound in an atom or a particle interacting with other particles or with external fields. It is much like a vector in ordinary three-dimensional space, following many of the same rules, except that it describes a very complicated physical system. We will be elaborating further on this in the following. The mathematical structure of a quantum mechanical system will be presented in terms of the notations developed by Dirac. A physical state in this notation is described by a “ket” vector, |〉, designated variously as |α〉 or |ψ〉 or a ket with other appropriate symbols depending on the specific problem at hand. The kets can be complex. Their complex conjugates, |〉 * , are designated by 〈| which are called “bra” vectors. Thus, corresponding to every ket vector there is a bra vector. These vectors are abstract quantities whose physical interpretation is derived through their so-called “representatives” in the coordinate or momentum space or in a space appropriate to the problem under consideration.
This chapter develops a basic working knowledge of operators — objects central to quantum mechanics. The fact that quantum operators are linear determines how they may be manipulated, so linearity forms the chapter's first topic. The adjoint of an operator is then introduced. This provides the basis for Hermitian or self-adjoint operators, which are discussed for both discrete eigenvalue systems and wavefunctions. Projection operators, which ‘project out’ a certain part of a quantum state, are then introduced. These form the basis for the identity operator — a sum over projection operators — which changes the representation in which a state is expressed without changing the state itself. Finally, unitary operators are briefly discussed, including the defining unitarity condition, the fact that such operators preserve inner products, and their physical meaning as effecting transformations in space and time. Unitary operators are discussed in greater detail in Appendix D.
Chapter 2 begins with a discussion of the de Broglie wave concept that is the foundation of quantum mechanics. The idea that particles can exhibit wave-like behavior is an important part of the explanation of why atoms have discrete energy levels and make transitions in which electromagnetic radiation is absorbed or emitted at specific frequencies. Important aspects of how quantum systems may be observed and how they develop in time are presented. The Schrödinger equation is introduced and the importance of the wavefunction covered. Mathematical simplifications that arise from considering symmetry are covered. Several examples of simple quantum systems are presented in which the calculation of electronic energy structure based on boundary conditions is illustrated. Sections on wave–particle duality and quantum observables are followed by others on the dynamics of two-level systems, mathematically complete representations of arbitrary states, and standard approaches for handling the temporal development of wavefunctions.
The goal of Quantum Mechanics I, A Problem Text, is to enable students to solve problems appropriate to their first course in quantum mechanics. Significantly detailed solutions to traditionally posed problems dominate. Theory and rationale are addressed in prescript and postscript narratives and/or within the solved problems to guide students; and clarify vocabulary, symbology, and terminology. Applications of the postulates are presented initially using arguments from linear algebra appropriate to discrete systems with low-dimensional vectors and matrix operators, introducing orthogonality, orthonormality, Hermiticity, eigenvectors, eigenvalues, probability, expectation value, and degeneracy. These arguments blend into infinite-dimensional vectors and operators, and calculus-based arguments for continuous systems where delta functions, theta functions, and Fourier transforms are initially discussed. Dirac notation is fully developed within these first five chapters. Chapter six discusses Ehrenfest’s theorem, the Heisenberg uncertainty relations, and Gaussian wave functions and wave packets. Increasingly sophisticated potential energy functions are then treated to include the free particle, the infinite square well, the one-dimensional scattering state, the simple harmonic oscillator, the finite square well, orbital angular momentum, and the hydrogen atom. Ladder operators are featured in the developments of the simple harmonic oscillator and orbital angular momentum. The diversity of narratives and detailed solutions intend