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Cambridge University Press eBooks

Excursion: Quantum mechanics in a nutshell

Yisong Yang

Published Nov 30, 2014• 0 citations
Publisher

Abstract

The content of this chapter may serve as yet another supplemental topic to meet the needs and interests beyond those of a usual course curriculum. Here we shall present an over-simplified, but hopefully totally transparent, description of some of the fundamental ideas and concepts of quantum mechanics, using a pure linear algebra formalism. Vectors in ℂ n and Dirac bracket Consider the vector space ℂ n , consisting of column vectors, and use { e 1 , …, e n } to denote the standard basis of ℂ n . For u , υ ∈ ℂ n with recall that the Hermitian scalar product is given by so that { e 1 , …, e n } is a unitary basis, satisfying ( e i , e j ) = δ ij , i, j = 1, …, n . In quantum mechanics, it is customary to rewrite the scalar product (9.1.2) in a bracket form, 〈 u | v 〉. Then it was Dirac who suggested to view 〈 u |υ〉 as the scalar pairing of a ‘bra’ vector 〈 u | and a ‘ket’ vector |υ〉, representing the row vector u † and the column vector υ. Thus we may use | e 1 〉, …, | e n 〉 to denote the standard basis vectors of ℂ n and represent the vector u in ℂ n as Therefore the bra-counterpart of | u 〉 is simply given as As a consequence, the orthonormal condition regarding the basis { e 1 , …, e n } becomes and the Hermitian scalar product of the vectors | u 〉 and |υ〉 assumes the form For the vector | u 〉 given in (9.1.3), we find that a i = 〈 e i | u 〉, i = 1, …, n . Now rewriting | u 〉 as and inserting (9.1.7) into (9.1.8), we obtain which suggests that the strange-looking ‘quantity’, should naturally be identified as the identity mapping or matrix, which readily follows from the associativity property of matrix multiplication. Similarly, we have Thus (9.1.10) can be applied to both bra and ket vectors symmetrically and what it expresses is simply the fact that | e 1 〉, …,| e n form an orthonormal basis of ℂ n .

DOI
10.1017/cbo9781316103845.011

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The content of this chapter may serve as yet another supplemental topic to meet the needs and interests beyond those of a usual course curriculum. Here we shall present an over-simplified, but hopefully totally transparent, description of some of the fundamental ideas and concepts of quantum mechanics, using a pure linear algebra formalism. Vectors in ℂ n and Dirac bracket Consider the vector space ℂ n , consisting of column vectors, and use { e 1 , …, e n } to denote the standard basis of ℂ n . For u , υ ∈ ℂ n with recall that the Hermitian scalar product is given by so that { e 1 , …, e n } is a unitary basis, satisfying ( e i , e j ) = δ ij , i, j = 1, …, n . In quantum mechanics, it is customary to rewrite the scalar product (9.1.2) in a bracket form, 〈 u | v 〉. Then it was Dirac who suggested to view 〈 u |υ〉 as the scalar pairing of a ‘bra’ vector 〈 u | and a ‘ket’ vector |υ〉, representing the row vector u † and the column vector υ. Thus we may use | e 1 〉, …, | e n 〉 to denote the standard basis vectors of ℂ n and represent the vector u in ℂ n as Therefore the bra-counterpart of | u 〉 is simply given as As a consequence, the orthonormal condition regarding the basis { e 1 , …, e n } becomes and the Hermitian scalar product of the vectors | u 〉 and |υ〉 assumes the form For the vector | u 〉 given in (9.1.3), we find that a i = 〈 e i | u 〉, i = 1, …, n . Now rewriting | u 〉 as and inserting (9.1.7) into (9.1.8), we obtain which suggests that the strange-looking ‘quantity’, should naturally be identified as the identity mapping or matrix, which readily follows from the associativity property of matrix multiplication. Similarly, we have Thus (9.1.10) can be applied to both bra and ket vectors symmetrically and what it expresses is simply the fact that | e 1 〉, …,| e n form an orthonormal basis of ℂ n .
There is a notational discrepancy in how mathematicians and physicists treat Hilbert spaces. In physics, one often works with finite-dimensional Hilbert spaces treated as ℂ n , and hence wants to write the Hermitian inner product as (x, y) = x ∗ y. This definition dictates the use of a Hermitian inner product that is antilinear in the first argument, the convention followed, for example, in Reed & Simon [246]. This is also the choice adopted in Dirac’s bracket notation, whose usage in quantum mechanics is very widespread. Our notation is chosen to extend-as closely as possible-the traditional notation of standard finite-dimensional matrix algebra to arbitrary complex inner product spaces and associated linear operators. In matrix algebra, column vectors and the corresponding matrices with one column are identical objects, row vectors are the linear functionals, and the adjoint is the conjugate transpose. For example, ℍ = ℍ × = ℂ n is the space of column vectors of size n, the dual space ℍ ∗ is the space of row vectors of size n, and the operator product ϕ ∗ ψ of a row vector ϕ ∗ and a column vector ψ is the standard Hermitian inner product of the column vectors ϕ and ψ. We use Greek lower case letters to write vectors, thus emphasizing their intended use as quantum state vectors in quantum mechanics. On the other hand, mathematicians working on reproducing kernel Hilbert spaces use an inner product (x, y) antilinear in the second argument, related to the physicist’s inner product (x, y) by (x, y) =( ). This is the convention followed, for example, in Rudin [252]. Although the two ways of defining the inner product lead to fully equivalent theories, all details look a bit different, a fact that has to be taken into account when reading the literature on the subject. For example, in the description based on the physical tradition, it is preferable to work with the antidual space in place of the dual space used in the mathematical tradition. In functional analysis, linear operators in Hilbert spaces are usually considered each with their own domain. But many computations in quantum mechanics require the consideration of algebras of operators with a common domain. The latter is a Euclidean space, a dense subspace of a Hilbert space. This space and its antidual play in many respects a more basic role in quantum physics than the Hilbert space itself. Therefore, and to avoid possible confusion caused by the different traditions, we give in the present chapter a self-contained introduction to Euclidean spaces and their associated spaces. All proofs are carried out in detail.
Linear algebra is the natural mathematical language of quantum mechanics. For this reason, the present chapter starts with a review of Hilbert spaces for vectors and operators. We introduce vector and Hilbert spaces along with inner products and metrics. The Dirac notation is developed for the Euclidean vector spaces as a starting point for the concepts of complete orthonormal sets of vectors, closure, dual vector spaces, and adjoint operators. The Dirac delta function in various forms and the principal part is introduced in Appendix 5 as an essential tool. The chapter turns to the main use of Dirac notation for function spaces; the concepts of norm, inner product, and closure are discussed. Fourier, Cosine, and Sine series are discussed as examples of expansions in complete orthonormal sets of functions. Although Hilbert spaces are interesting mathematical objects with important physical applications, the study of linear algebra remains incomplete without a study of linear operators (i.e., linear transformations). In fact, the set of linear transformations itself forms a vector space and therefore has a basis set. The basis set for the operator is linked with the basis sets for the spaces that it operates between. The linear operator can be discussed as an abstract operator or through an isomorphism as a matrix or as a generalized expansion in operator space. A Hermitian (a.k.a., self-adjoint) operator produces a basis set within a Hilbert space. The basis set comes from the eigenvector equation for the particular operator. The fact that a Hermitian operator produces a complete set (of orthornomal vectors) has special importance for quantum mechanics. Observables such as energy or momentum correspond to Hermitian operators. Complete sets make it possible to represent every possible result of a measurement of the observable by an object (vector) in the theory. The Hermitian operators have real eigenvalues which represent the results of the measurement.
From here, we take up the task of reformulating quantum mechanics in the language of inner product space. We start by introducing vector space through the familiar example of a set of finite dimensional, complex, column matrices under addition and multiplication by scalars. The inner product is then introduced as a dot product generalized to complex vectors leading to the idea of an inner product space . This is adequate to show how the concept of a quantum state can be described by a normalized vector in an inner product space so that the state space can be identified with the inner product space. Amplitudes are associated with inner products , and observables with orthonormal bases in this space. Hence the laws of quantum mechanics are reformulated. We then point out that the now reformulated laws are independent of the space of description and the reader is urged to contemplate an universality which would reflect the independence with respect to the representation space . This creates the stage for the introduction of the abstract inner product space and the formulation of quantum mechanics in this setting. The chapter concludes with this description. The transformed laws are now called postulatesof quantum mechanics .
This chapter deals with the matrix and vector formulation of quantum mechanics. Topics covered under the chapter are: matrices and their basic algebra, bra and ket notations, vector space and the basis vectors, inner and outer products of vectors, the orthogonalization procedure for vectors, the Schwarz inequality, linear transformation of a vector, eigenvalues and eigenvectors of a matrix, numerical methods to find eigenvalue and eigenvector, different types of matrices used in quantum mechanics, diagonalization of a matrix, the Cayley-Hamilton theorem, change of basis in a vector space and the unitary transformations, infinite-dimensional and Hilbert spaces, representation of quantum states and operators in Hilbert space, the Schrödinger equation in matrix form, assumptions of quantum mechanics in matrix formulations, the general uncertainty principle, the one dimensional harmonic oscillator, solved examples and unsolved exercises. The objectives of this chapter are to introduce the important aspects of vector and matrix algebra that have been vital in the development and the description of modern quantum mechanics and in exhibiting that the Heisenberg and Schrödinger approaches to quantum mechanics are equivalent.
Come forth into the light of things, Let nature be your teacher. William Wordsworth , The Tables Turned The main focus of this book is many-particle systems such as electrons in a crystal. Such systems are studied within the framework of quantum mechanics, with which the reader is assumed to be familiar. Nevertheless, a brief review of this subject will provide an opportunity to establish notation and collect results that will be used later on. The postulates Quantummechanics is based on five postulates, listed below with some explanatory comments. The quantum state The quantum state of a particle, at time t , is described by a continuous, singlevalued, square-integrable wave function Ψ( r , t ), where r is the position of the particle. In Dirac notation, the state is represented by a state vector, or ket, ∣Ψ( t )⟩, which is an element of a vector space V. We define a dual vector space V* whose elements, called bras, are in one-to-one correspondence with the elements of V: ket ∣α⟩ ∈ V ⟷ bra ⟨α∣ ∈ V*, as illustrated in Figure 1.1. The bra corresponding to ket c ∣α⟩ is c * ⟨∣, where c *. is the complex conjugate of c . The inner product of kets ∣α⟩ and ∣β⟩ is denoted by ⟨β∣α⟩, and it is a complex number (c-number). Note that the inner product is obtained by combining a bra and a ket. By definition, ⟨β∣α⟩ = ⟨α∣β⟩*.
This chapter provides a simple general introduction to some basic mathematics necessary for a subsequent discussion of Lie algebras, operator methods, and their applications to theoretical physics and chemistry. It also provides some useful mathematical tools to derive important theoretical results and expressions in a simple and elegant way. In quantum mechanics the state of a system is represented by an element of a particular vector space, in which one defines an appropriate scalar or inner product, known in mathematics as Hilbert space. Hermitian operators with a complete set of eigenvectors belonging to that state space represent physical observables. Moreover, in certain cases it proves useful to work with vector spaces formed by linear operators. Hermitian operators are particular cases of linear operators and physical observables are particular cases of Hermitian operators. In many physical applications of operator methods one needs to reorder products of exponential operators or to rewrite one such operator as a product of simpler ones.