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This concise textbook introduces an innovative computational approach to quantum mechanics. Over the course of this engaging and informal book, students are encouraged to take an active role in learning key concepts by working through practical exercises. The book equips readers with some basic methodology and a toolbox of scientific computing methods, so they can use code to simulate and directly visualize how quantum particles behave. The important foundational elements of the wave function and the Schrödinger equation are first introduced, then the text gradually builds up to advanced topics including relativistic, open, and non-Hermitian quantum physics. This book assumes familiarity with basic mathematics and numerical methods, and can be used to support a two-semester advanced undergraduate course. Source code and solutions for every book exercise involving numerical implementation are provided in Python and MATLAB®, along with supplementary data. Additional problems are provided online for instructor use with locked solutions.
Quantum mechanics undergraduate courses mostly focus on systems with known analytical solutions; the finite well, simple Harmonic, and spherical potentials. However, most problems in quantum mechanics cannot be solved analytically. This textbook introduces the numerical techniques required to tackle problems in quantum mechanics, providing numerous examples en route. No programming knowledge is required – an introduction to both Fortran and Python is included, with code examples throughout. With a hands-on approach, numerical techniques covered in this book include differentiation and integration, ordinary and differential equations, linear algebra, and the Fourier transform. By completion of this book, the reader will be armed to solve the Schrödinger equation for arbitrarily complex potentials, and for single and multi-electron systems.
This modern textbook offers an introduction to Quantum Mechanics as a theory that underlies the world around us, from atoms and molecules to materials, lasers, and other applications. The main features of the book are: Emphasis on the key principles with minimal mathematical formalism Demystifying discussions of the basic features of quantum systems, using dimensional analysis and order-of-magnitude estimates to develop intuition Comprehensive overview of the key concepts of quantum chemistry and the electronic structure of solids Extensive discussion of the basic processes and applications of light-matter interactions Online supplement with advanced theory, multiple-choice quizzes, etc.
In this undergraduate textbook, now in its 2nd edition, the author develops the quantum theory from first principles based on very simple experiments: a photon traveling through beam splitters to detectors, an electron moving through magnetic fields, and an atom emitting radiation. From the physical description of these experiments follows a natural mathematical description in terms of matrices and complex numbers. The first part of the book examines how experimental facts force us to let go of some deeply held preconceptions and develops this idea into a description of states, probabilities, observables, and time evolution. The quantum mechanical principles are illustrated using applications such as gravitational wave detection, magnetic resonance imaging, atomic clocks, scanning tunneling microscopy, and many more. The first part concludes with an overview of the complete quantum theory. The second part of the book covers more advanced topics, including the concept of entanglement, the process of decoherence or how quantum systems become classical, quantum computing and quantum communication, and quantum particles moving in space. Here, the book makes contact with more traditional approaches to quantum physics. The remaining chapters delve deeply into the idea of uncertainty relations and explore what the quantum theory says about the nature of reality. The book is an ideal accessible introduction to quantum physics, tested in the classroom, with modern examples and plenty of end-of-chapter exercises.
In the 1990's it was realized that quantum physics has some spectacular applications in computer science. This book is a concise introduction to quantum computation, developing the basic elements of this new branch of computational theory without assuming any background in physics. It begins with an introduction to the quantum theory from a computer-science perspective. It illustrates the quantum-computational approach with several elementary examples of quantum speed-up, before moving to the major applications: Shor's factoring algorithm, Grover's search algorithm, and quantum error correction. The book is intended primarily for computer scientists who know nothing about quantum theory, but will also be of interest to physicists who want to learn the theory of quantum computation, and philosophers of science interested in quantum foundational issues. It evolved during six years of teaching the subject to undergraduates and graduate students in computer science, mathematics, engineering, and physics, at Cornell University.
The authors provide an introduction to quantum computing. Aimed at advanced undergraduate and beginning graduate students in these disciplines, this text is illustrated with diagrams and exercises.
This textbook is intended to accompany a two-semester course on quantum mechanics for physics students. Along with the traditional material covered in such a course (states, operators, Schrödinger equation, hydrogen atom), it offers in-depth discussion of the Hilbert space, the nature of measurement, entanglement, and decoherence – concepts that are crucial for the understanding of quantum physics and its relation to the macroscopic world, but rarely covered in entry-level textbooks. The book uses a mathematically simple physical system – photon polarization – as the visualization tool, permitting the student to see the entangled beauty of the quantum world from the very first pages. The formal concepts of quantum physics are illustrated by examples from the forefront of modern quantum research, such as quantum communication, teleportation and nonlocality. The author adopts a Socratic pedagogy: The student is guided to develop the machinery of quantum physics independently by solving sets of carefully chosen problems. Detailed solutions are provided.
Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Combining physics, mathematics and computer science, topological quantum computation is a rapidly expanding research area focused on the exploration of quantum evolutions that are immune to errors. In this book, the author presents a variety of different topics developed together for the first time, forming an excellent introduction to topological quantum computation. The makings of anyonic systems, their properties and their computational power are presented in a pedagogical way. Relevant calculations are fully explained, and numerous worked examples and exercises support and aid understanding. Special emphasis is given to the motivation and physical intuition behind every mathematical concept. Demystifying difficult topics by using accessible language, this book has broad appeal and is ideal for graduate students and researchers from various disciplines who want to get into this new and exciting research field.