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CRC Press eBooks

- Various Pictures and Density Matrix

S. Rajasekar, R. Velusamy

Published Dec 11, 2014• 0 citations
Publisher

Abstract

In classical mechanics the state of a system is defined by the numerical values of a set of dynamical variables such as the position coordinates and the velocities. In quantum mechanics the state of a system at an instant is represented by a unit vector in a Hilbert space, where a set of axes are the eigenvectors of a complete set of observables. Here the observable are not the state vectors but the expectation values of a set of self-adjoint or Hermitian operators corresponding to the dynamical variables. The variation of 〈A〉 with time is seen as arising in any one of the following ways: 1. The state vector changes with time, but the operator A remains unchanged.

DOI
10.1201/b17899-11

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In classical mechanics the state of a system is defined by the numerical values of a set of dynamical variables such as the position coordinates and the velocities. In quantum mechanics the state of a system at an instant is represented by a unit vector in a Hilbert space, where a set of axes are the eigenvectors of a complete set of observables. Here the observable are not the state vectors but the expectation values of a set of self-adjoint or Hermitian operators corresponding to the dynamical variables. The variation of 〈A〉 with time is seen as arising in any one of the following ways: 1. The state vector changes with time, but the operator A remains unchanged.
In classical mechanics the state of a system is defined by the numerical values of a set of dynamical variables such as the position coordinates and the velocities. In quantum mechanics the state of a system at an instant is represented by a unit vector in a Hilbert space, where a set of axes are the eigenvectors of a complete set of observables. The description of quantum dynamics where the wave function is time-dependent and the operators describing the observables are time-independent is known as the Schrodinger picture. The use of total time derivative of operator that depends on the time evolution of the wave function as well as on any intrinsic time-dependence in the operators simplifies the development of quantum mechanics and allows the development to more closely follow the corresponding development of classical mechanics. The difference between the Schrodinger and Heisenberg pictures is best understood as the difference in the basic set of observables.
The state of a quantum mechanical system is represented by a nonzero vector in a separable Hilbert space. The word ‘represented’ means that knowledge of the state vector gives complete information on the properties of the system. In quantum mechanics, the state vectors are denoted using Dirac's notation. Several quantum systems possess a property called spin. Spin is a purely quantum mechanical feature which has no direct classical counterpart. The set of density matrices is a convex subset of the space of Hermitian operators whose ‘extreme’ points represent pure states. In quantum mechanics, observed quantities are called observables. A continuous spectrum is such that it contains no isolated points. The chapter discusses the case of measurement of observables with discrete spectrum.
The quantities in physics that can be measured are conventionally denoted observables : entities that can be observed (directly or indirectly) and to which a value in appropriate units can be assigned. Examples include position, momentum, and energy. Unlike in classical physics, the concept of an observable in quantum theory possesses a significance beyond that of the measurable: to each observable there corresponds a unique operator in an abstract, linear vector space. These operators (and others) govern all aspects of quantum systems. Quantum operators act on abstract vectors in the linear space. Especially important are the eigenvectors and eigenvalues of these operators, in particular because some of the eigenvectors are the quantum states mentioned in the preceding chapters. Furthermore, for any operator that is the mathematical image of an observable, its eigenvalues constitute the entire set of values that measurement of the observable can yield . Finally, from the quantum states one can obtain the probabilities for the occurrence of events in the microscopic world, for example, the most likely value that measurement of an observable will yield. The concepts of operators and eigenvalue problems, as well as those of quantal probabilities, of Hermiticity, and of complete sets, were encountered and exemplified in the preceding chapter using the language of differential equations. While much of quantum mechanics could be presented in terms of this language alone, certain fundamental concepts (spin, for instance) cannot be, and it eventually becomes necessary to consider quantum mechanics as a theoretical framework embedded in that abstract linear vector space known as a Hilbert space.
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.
Operators represent physically observable quantities, as discussed in Section 2.5. The structure and property of operators depend on the nature of the degree of freedom; operators act on the state space and in particular on the state vector of a given degree of freedom. The significance of operators in the interpretation of quantum mechanics has been discussed in Baaquie (2013e). The operators discussed in this chapter are mostly based on the continuous degree of freedom, which is analyzed in Section 3.1. Hermitian operators represent physically observable properties of a degree of freedom and their mathematical properties are defined in Section 3.3. The coordinate and momentum operators are the leading exemplar of a pair of noncommuting Hermitian operators and these are studied in some detail in Section 3.4. The Weyl operators yield, as in Section 3.5, a finite-dimensional example of the shift and scaling operators; Section 3.8 provides a unitary representation of the coordinate and momentum operators. The term self-adjoint operator is used for Hermitian operators when there is a need to emphasize the importance of the domain of the Hilbert space on which the operators act – a topic not usually discussed in most books on quantum mechanics. Sections 3.10 and 3.11 discuss the concept of self-adjoint operators, in particular the crucial role played by the domain for realizing the property of self-adjointness. It is shown in Section 3.12 how the requirement of self-adjointness yields a non-trivial extension of Hamiltonians that include singular interactions.
In this chapter the basic concepts of quantum theory are formulated via a self-consistent set of six postulates. These six postulates deal with the following: operator images of physical observables; properties of state vectors and wave functions; the connection with experimental measurements; coordinate-space forms of those operators having classical analogs; the primary dynamical equation of quantum mechanics; and the completeness of the eigenvectors of observables. The postulates are the framework on which the edifice of quantum mechanics is constructed. A separate section is devoted to the statement of each postulate and to a few examples chosen to illustrate or apply it. A comprehensive set of applications is presented in Chapters 6 and 7, where various 1-D systems are used as the vehicles for illustrating the postulates. The basic theory of this chapter is extended and developed in Chapters 8 and 9. Since probability is a key interpretational concept, a brief introduction to this topic is given in an appendix. We emphasize that our formulation of quantum theory (in this chapter and throughout this book) is restricted to the case of pure states. This is not a major restriction. It means that, when we consider ensembles of individual quantum systems (e.g., single particles, atoms, nuclei, etc.), all of the systems in the ensemble are assumed to be in the same quantum state, not necessarily an eigenstate of a quantal operator. Ensembles for which this assumption does not hold are described by a density operator or density matrix rather than by a pure state; treatments of such cases can be found in references cited later.