Our purpose in this chapter is to present the key concepts of quantum mechanics in the language of Hilbert spaces. The reader who has not previously met the physical ideas motivating quantum mechanics, and some of the more elementary applications of Schrödinger's equation, is encouraged to read any of a number of excellent texts on the subject such as [1–4]. Otherwise, the statements given here must to a large extent be taken on trust – not an altogether easy thing to do, since the basic assertions of quantum theory are frequently counterintuitive to anyone steeped in the classical view of physics. Quantum mechanics is frequently presented in the form of several postulates, as though it were an axiomatic system such as Euclidean geometry. As often presented, these postulates may not meet the standards of mathematical rigour required for a strictly logical set of axioms, so that little is gained by such an approach. We will do things a little more informally here. For those only interested in the mathematical aspects of quantum mechanics and the role of Hilbert space see [5–8]. Many of the standard applications, such as the hydrogen atom, will be omitted here as they can be found in all standard textbooks, and we leave aside the enormous topic of measurement theory and interpretations of quantum mechanics. This is not to say that we need be totally comfortable with quantum theory as it stands. Undoubtedly, there are some philosophically disquieting features in the theory, often expressed in the form of socalled paradoxes.
Our purpose in this chapter is to present the key concepts of quantum mechanics in the language of Hilbert spaces. The reader who has not previously met the physical ideas motivating quantum mechanics, and some of the more elementary applications of Schrödinger's equation, is encouraged to read any of a number of excellent texts on the subject such as [1–4]. Otherwise, the statements given here must to a large extent be taken on trust – not an altogether easy thing to do, since the basic assertions of quantum theory are frequently counterintuitive to anyone steeped in the classical view of physics. Quantum mechanics is frequently presented in the form of several postulates, as though it were an axiomatic system such as Euclidean geometry. As often presented, these postulates may not meet the standards of mathematical rigour required for a strictly logical set of axioms, so that little is gained by such an approach. We will do things a little more informally here. For those only interested in the mathematical aspects of quantum mechanics and the role of Hilbert space see [5–8]. Many of the standard applications, such as the hydrogen atom, will be omitted here as they can be found in all standard textbooks, and we leave aside the enormous topic of measurement theory and interpretations of quantum mechanics. This is not to say that we need be totally comfortable with quantum theory as it stands. Undoubtedly, there are some philosophically disquieting features in the theory, often expressed in the form of socalled paradoxes.
In this second chapter we will review the basic mathematical and physical facts about quantum mechanics and establish physical units and notation. Those readers already familiar with the subject can safely jump to the next chapter. An attempt has been made to make the presentation in this chapter as elementary as possible, and yet present the basic facts that will be needed later. There are many beautiful and important topics which will not be touched upon such as self-adjointness of Schrödinger operators, the general mathematical structure of quantum mechanics and the like. These topics are well described in other works, e.g.. Much of the following can be done in a Euclidean space of arbitrary dimension, but in this chapter the dimension of the Euclidean space is taken to be three-which is the physical case-unless otherwise stated. We do this to avoid confusion and, occasionally, complications that arise in the computation of mathematical constants. The interested reader can easily generalize what is done here to the R d , d > 3 case. Likewise, in the next chapters we mostly consider N particles, with spatial coordinates in R 3 , so that the total spatial dimension is 3 N . A Brief Review of the Connection Between Classical and Quantum Mechanics Considering the range of validity of quantum mechanics, it is not surprising that its formulation is more complicated and abstract than classical mechanics. Nevertheless, classical mechanics is a basic ingredient for quantum mechanics. One still talks about position, momentum and energy which are notions from Newtonian mechanics.
This text presents a rigorous mathematical account of the principles of quantum mechanics, in particular as applied to chemistry and chemical physics. Applications are used as illustrations of the basic theory. The first two chapters serve as an introduction to quantum theory, although it is assumed that the reader has been exposed to elementary quantum mechanics as part of an undergraduate physical chemistry or atomic physics course. Following a discussion of wave motion leading to Schrödinger's wave mechanics, the postulates of quantum mechanics are presented along with essential mathematical concepts and techniques. The postulates are rigorously applied to the harmonic oscillator, angular momentum, the hydrogen atom, the variation method, perturbation theory, and nuclear motion. Modern theoretical concepts such as hermitian operators, Hilbert space, Dirac notation, and ladder operators are introduced and used throughout. This text is appropriate for beginning graduate students in chemistry, chemical physics, molecular physics and materials science.
The mathematical formalism of quantum theory in terms of vectors and operators in infinite-dimensional complex vector spaces is very abstract. The definitions of many mathematical quantities used do not seem to have an intuitive meaning, which makes it difficult to appreciate the mathematical formalism and understand quantum mechanics. This book provides intuition and motivation to the mathematics of quantum theory, introducing the mathematics in its simplest and familiar form, for instance, with three-dimensional vectors and operators, which can be readily understood. Feeling confident about and comfortable with the mathematics used helps readers appreciate and understand the concepts and formalism of quantum mechanics. This book is divided into four parts. Part I is a brief review of the general properties of classical and quantum systems. A general discussion of probability theory is also included which aims to help in understanding the probability theories relevant to quantum mechanics. Part II is a detailed study of the mathematics for quantum mechanics. Part III presents quantum mechanics in a series of postulates. Six groups of postulates are presented to describe orthodox quantum systems. Each statement of a postulate is supplemented with a detailed discussion. To make them easier to understand, the postulates for discrete observables are presented before those for continuous observables. Part IV presents several illustrative applications, which include harmonic and isotropic oscillators, charged particle in external magnetic fields and the Aharonov–Bohm effect. For easy reference, definitions, theorems, examples, comments, properties and results are labelled with section numbers. Various symbols and notations are adopted to distinguish different quantities explicitly and to avoid misrepresentation. Self-contained both mathematically and physically, the book is accessible to a wide readership, including astrophysicists, mathematicians and philosophers of science who are interested in the foundations of quantum mechanics.
Quantum mechanics is one of the most challenging subjects to learn. It is challenging because quantum phenomenon is counterintuitive, and the mathematics used to explain such a phenomenon is very abstract, and difficult to grasp. This textbook is an attempt to overcome these challenges. Every chapter presents quantum ideas step- by- step in a structured way with a comparison between quantum and classical concepts. It provides a clear distinction between classical and quantum logic. Conceptual questions are provided after every important section so that the reader can test their understanding at every step. Such an approach aids in preventing misconceptions. Problem solving is not restricted to solving differential equations and integration. But it requires to systematically and creatively analyze a problem, to apply the new and powerful concepts for finding a solution and to understand the physical meaning of the solution. The tutorials on special topics are an effort to teach problem solving by actively engaging the reader in a thinking process, to apply the concepts and to understand the physical meaning of the solution. The simulations are provided for some of the topics. The simulations aid in the visualization of the quantum phenomenon, and for meaningful understanding of the mathematics. This approach may lead to development of "quantum mechanical intuition "as well as learning mathematical techniques for problem solving. Most importantly, the book is not flooded with numerous topics that makes the reader confused and distracted, rather the most important topics are discussed at a deeper level. The understanding of quantum mechanics is incomplete without understanding the early ideas and experiments that lead to the development of the quantum theory. Thus, the first two chapters of the book are dedicated to such topics. The key features of this book are: A simplified, structured, and step-by-step introduction to quantum mechanics. The simplification is attained through use of two-level system, step- by- step discussion of important topics in a simplified language at a deeper level, analogies, and visualization using illustrations and simulations A systematic arrangement of topics, and numerous worked- out examples. The presentation of the structure in the mathematical formalism of quantum mechanics provides clarity in understanding complicated and abstract mathematics. It also helps to understand the distinction between the quantum mechanical and classical approaches Conceptual questions at the end of every important section. The conceptual questions can be used in a classroom as a point of discussion between an instructor and students Tutorials on special topics. Simulations on special topics aid in the visualization of the physical phenomenon, and demonstration of the application of mathematics An in-depth discussion of the wave-particle duality, measurement problem, and their philosophical implications in Chapter 2 provides an understanding of the broader meaning of quantum mechanics
Quantum physics consists of a formal core that is universally agreed upon (basically being a piece of mathematics with suggestive names for concepts matching related concepts of experimental culture) and an interpretational halo (trying to make this relation more precise) that remains highly disputed even after more than 90 years of modern quantum physics. The latter is the subject of the interpretation of quantum mechanics (see Part II), where many interpretations coexist and compete for the attention of those interested in what quantum physics really means. In this chapter, an axiomatic introduction to the undisputed formal core of quantum physics is given. The axioms described present nonrelativistic quantum statistical mechanics in the Schrödinger picture. The relativistic case is outside the scope of these axioms, as it must be treated by quantum field theory; see Chapter 7. As in any axiomatic setting (necessary for a formal discipline), there are a number of different but equivalent sets of axioms or postulates that can be used to define formal quantum physics. Since they are equivalent, their choice is a matter of convenience. The choice presented here is a formulation featuring three aspects: It emphasises the similarity of quantum mechanics and classical mechanics, gives most direct access to statistical mechanics, and is free from allusions to measurement. The reason for the first is that this similarity serves as a guide to meaning. From the axiomatic setting for quantum mechanics presented below, classical mechanics (in the Koopman setting discussed in Section 7.10) is obtained by simply restricting the operators to be diagonal, so that all operations happen pointwise on the diagonal elements. Thus, multiplication is commutative, and one can identify operators and functions. In particular, the density operator degenerates into a probability density. Therefore, the quantum case appears as a generalization of the classical case allowing for noncommutativity, so that both q-observables and the density operator are (usually infinite-dimensional) operators. The reason for the second is that statistical mechanics is the main tool for applications of quantum physics to the macroscopic systems we are familiar with. The reason for the third is that realistic measurements constitute a complex process involving macroscopic detectors, hence should be explained by quantum statistical mechanics rather than be part of the axiomatic foundations themselves. (This is in marked contrast to other foundations, and distinguishes the present system of axioms.)