Experimental Quantum chemistry


Book Description

Experimental Quantum Chemistry is a comprehensive account of experimental quantum chemistry and covers topics ranging from basic quantum theory to atoms and ions, photons, electrons, and positrons. Nuclei, molecules, and free radicals are also discussed. This volume is comprised of eight chapters and begins with an overview of the basic experiments and ideas leading to the development of quantum theory, with special emphasis on the problems of chemistry. The main properties of electromagnetic radiation are then considered, along with the most important relations of electrons and positrons in chemistry; the quantum theory of isolated atoms and ions; the structure of nuclei and the main applications to organic chemistry; and the chemical structure and reactivity of molecules. The theoretical and experimental aspects of interpreting free radical structures on the basis of the molecular orbital and valence bond theories are also explored. The final chapter is devoted to the chemistry of the organic solid state, paying particular attention to the structure and molecular mobilities of organic solids, collective crystal states (excitons, phonons, and polaritons), energy transfer processes, and reactions in the solid state. This book should be of interest to physicists and organic chemists.




Molecular Physics and Elements of Quantum Chemistry


Book Description

This textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.




Experimental Quantum Computation and Information


Book Description

This Fermi Summer School of Physics on "Experimental Quantum Information and Computing" represents a primer on one of the most intriguing and rapidly expanding new areas of physics. In this part, the interest in quantum information (QI) science is due to the discovery that a computer operating on quantum mechanical principles can solve certain important computational problems exponentially faster than any conceivable classical computer. But this interest is also due to the interdisciplinary nature of the field: the rapid growth is attributable, in part, to the stimulating confluence of researchers and ideas from physics, chemistry, mathematics, information theory, and computer science. Physics plays a paramount role in QI science, as we realize that computing is itself a physical process subject to physical laws. The incredible growth of classical computers and information processors in the 20th century stems from Turing's notion that a computer is independent of the physical device actually being used; be they relays, vacuum tubes, or semiconductor transistors. As we strive to build useful quantum information processors into the 21st century, we thus look for any physical system that obeys the laws of quantum mechanics, from single photons and atoms to quantum superconducting devices. These Fermi lectures take us on a journey through these and other promising current experimental candidates for QI processing, spanning quantum optics and laser physics, atomic and molecular physics, physical chemistry, and condensed-matter physics. While this broad coverage of experimental physics represents a challenge to the student, such an appreciation of these fields will be critical in the future success of quantum technology. Indeed, the most exciting feature of QI science is that the technology ultimately leading to a quantum processor is likely presently unknown.




Spooky Action at a Distance


Book Description

Long-listed for the 2016 PEN/E. O. Wilson Literary Science Writing Award "An important book that provides insight into key new developments in our understanding of the nature of space, time and the universe. It will repay careful study." --John Gribbin, The Wall Street Journal "An endlessly surprising foray into the current mother of physics' many knotty mysteries, the solving of which may unveil the weirdness of quantum particles, black holes, and the essential unity of nature." --Kirkus Reviews (starred review) What is space? It isn't a question that most of us normally ask. Space is the venue of physics; it's where things exist, where they move and take shape. Yet over the past few decades, physicists have discovered a phenomenon that operates outside the confines of space and time: nonlocality-the ability of two particles to act in harmony no matter how far apart they may be. It appears to be almost magical. Einstein grappled with this oddity and couldn't come to terms with it, describing it as "spooky action at a distance." More recently, the mystery has deepened as other forms of nonlocality have been uncovered. This strange occurrence, which has direct connections to black holes, particle collisions, and even the workings of gravity, holds the potential to undermine our most basic understandings of physical reality. If space isn't what we thought it was, then what is it? In Spooky Action at a Distance, George Musser sets out to answer that question, offering a provocative exploration of nonlocality and a celebration of the scientists who are trying to explain it. Musser guides us on an epic journey into the lives of experimental physicists observing particles acting in tandem, astronomers finding galaxies that look statistically identical, and cosmologists hoping to unravel the paradoxes surrounding the big bang. He traces the often contentious debates over nonlocality through major discoveries and disruptions of the twentieth century and shows how scientists faced with the same undisputed experimental evidence develop wildly different explanations for that evidence. Their conclusions challenge our understanding of not only space and time but also the origins of the universe-and they suggest a new grand unified theory of physics. Delightfully readable, Spooky Action at a Distance is a mind-bending voyage to the frontiers of modern physics that will change the way we think about reality.




Computational and Experimental Chemistry


Book Description

This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.




Excited States in Quantum Chemistry


Book Description

It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.




Computational Quantum Chemistry


Book Description

Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.




Quantum Mechanics


Book Description

This textbook presents quantum mechanics at the junior/senior undergraduate level. It is unique in that it describes not only quantum theory, but also presents five laboratories that explore truly modern aspects of quantum mechanics. These laboratories include "proving" that light contains photons, single-photon interference, and tests of local realism. The text begins by presenting the classical theory of polarization, moving on to describe the quantum theory of polarization. Analogies between the two theories minimize conceptual difficulties that students typically have when first presented with quantum mechanics. Furthermore, because the laboratories involve studying photons, using photon polarization as a prototypical quantum system allows the laboratory work to be closely integrated with the coursework. Polarization represents a two-dimensional quantum system, so the introduction to quantum mechanics uses two-dimensional state vectors and operators. This allows students to become comfortable with the mathematics of a relatively simple system, before moving on to more complicated systems. After describing polarization, the text goes on to describe spin systems, time evolution, continuous variable systems (particle in a box, harmonic oscillator, hydrogen atom, etc.), and perturbation theory. The book also includes chapters which describe material that is frequently absent from undergraduate texts: quantum measurement, entanglement, quantum field theory and quantum information. This material is connected not only to the laboratories described in the text, but also to other recent experiments. Other subjects covered that do not often make their way into undergraduate texts are coherence, complementarity, mixed states, the density operator and coherent states. Supplementary material includes further details about implementing the laboratories, including parts lists and software for running the experiments. Computer simulations of some of the experiments are available as well. A solutions manual for end-of-chapter problems is available to instructors.







Ideas of Quantum Chemistry


Book Description

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet.* Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics