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CRC Press eBooks

Equations of motion in quantum mechanics

Francisco Marcelo Fernández, Eduardo A. Castro

Published Jan 16, 2020• 0 citations
Publisher

Abstract

This chapter aims to develop an appropriate notation and to facilitate the subsequent discussion of the role played by the Lie algebras. It is unlikely that one manages to express a sufficiently realistic model only in terms of the operators that span a finite-dimensional Lie algebra, but it may be possible to simulate most of the relevant features of many physical phenomena by means of such simple models. The chapter discusses well-known approximate methods for the treatment of the time-evolution equation. If the Hamiltonian operator belongs to a finite-dimensional Lie algebra, then the differential equation for the time-evolution operator is easier to solve, and even the calculation of transition probabilities and expectation values of observables may be straightforward. The most relevant feature of this application of the Lie algebraic method is the occurrence of a matrix equation of finite dimension in contrast with the expansion in a basis set of state vectors, which typically leads to matrices of infinite dimension.

DOI
10.1201/9780367811426-8

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This chapter aims to develop an appropriate notation and to facilitate the subsequent discussion of the role played by the Lie algebras. It is unlikely that one manages to express a sufficiently realistic model only in terms of the operators that span a finite-dimensional Lie algebra, but it may be possible to simulate most of the relevant features of many physical phenomena by means of such simple models. The chapter discusses well-known approximate methods for the treatment of the time-evolution equation. If the Hamiltonian operator belongs to a finite-dimensional Lie algebra, then the differential equation for the time-evolution operator is easier to solve, and even the calculation of transition probabilities and expectation values of observables may be straightforward. The most relevant feature of this application of the Lie algebraic method is the occurrence of a matrix equation of finite dimension in contrast with the expansion in a basis set of state vectors, which typically leads to matrices of infinite dimension.
The number of exactly solvable eigenvalue problems has been rapidly increasing since the advent of quantum mechanics and there are many efficient ways to treat them. As a general rule, it is possible to write exactly solvable abstract eigenvalue equations in terms of the generators of finite-dimensional Lie algebras and solve them by means of purely algebraic methods. Matrix elements are commonly necessary for the application of perturbation theory and variational principles, among other approximate methods. The chapter discusses examples of three-dimensional Lie algebras with well-known quantum-mechanical realizations. Typically, exactly solvable quantum-mechanical problems are either onedimensional models or lead to separable equations in many dimensions. In the coordinate representation both cases reduce to ordinary differential equations of second order that determine the eigenvalues and separation constants compatible with the physical boundary conditions. In its purest form, a Lie algebraic method is representation-independent. Extensive application of algebraic methods to selected physical problems is already available elsewhere.
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.
The matrix U' contains the full dynamics of a bilinear oscillator, because any observable of the system is an analytical function of the operators that determine the matrix representation. One cannot solve the time evolution equation in the general case, but there are many exactly solvable problems that simulate and enable one to understand the dynamics of more elaborate and realistic quantum-mechanical models. In the case of the solvable model just discussed it is easy to derive analytical expressions for operators in the Heisenberg picture as well as for invariants or constants of the motion. The mathematical treatment of the driven oscillator just discussed is trivial because the Hamiltonian operator belongs to a solvable Lie algebra. This model is a convenient starting point to illustrate the use of the Lie algebraic method, but it is also an oversimplification of most oscillatory phenomena. Nonlinear Hamiltonians are useful in many physical applications such as the simulation of frictional forces and dissipation effects.
In this chapter, we finally introduce time evolution. The development is carried out for finite, enumerable systems (i.e., systems whose states live in a finite dimensional, inner product space) which, of course, allows a straight forward extension to the continuum and infinite dimensional state spaces. The necessary mathematical background of unitary operators, and their properties relevant to quantum mechanics are first introduced. In particular, the fact that preservation of norm under the action of an operator implies unitarity, and that every unitary operator can be expressed as the exponential of i timesa Hermitian operator are introduced. Time evolution is then introduced in its integral form through the time evolution operator, and the Hamiltonian operator is introduced in this context. This approach, however, necessitates the restriction to conservative systems. Next, the differential form of the law of time evolution, i.e., Schrodinger equation, is derived from the time evolution operator, and this is postulated to be the general law of time evolution. We then demonstrate how, for conservative systems, the solution of the Schrodinger equation essentially reduces to solving the eigenvalue problem of the Hamiltonian. Constants of motion and Heisenberg picture have been relegated to the problem section.
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.
The quantum theoretical description of microscopic systems is based on differential operators and the solution of the underlying eigenvalue equations. This approach is called Schrödinger approach or wave mechanics. Heisenberg developed another equivalent approach called matrix mechanics. In matrix mechanics all observables are represented by matrices. All possible eigenvalues of a matrix representing an observable are the possible outcomes of experimental measurement on that observable. This chapter gives the preliminary concepts relative to the use of the matrix method. It presents the various elements of matrix mechanics and discusses the matrix representation of operators of certain systems. The chapter introduces Dirac's notation of state vectors, Hilbert space, projection operator, displacement operators and the generators of translations. The theory of quaternions has found applications in classical mechanics, quantum mechanics and relativity. It has been used in aerospace applications, flight simulators, computer graphics, animation, visualization, fractals and virtual reality.