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| quantum chemistry 2nd edition: Quantum Chemistry John P. Lowe, 2012-12-02 Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included. - Assumes little mathematical or physical sophistication - Emphasizes understanding of the techniques and results of quantum chemistry - Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration - Provides a new chapter on molecular orbital theory of periodic systems - Features new exercise sets with solutions - Includes a helpful new appendix that compiles angular momentum rules from operator algebra |
| quantum chemistry 2nd edition: Propagators in Quantum Chemistry Jan Linderberg, Yngve Öhrn, 2004-03-26 The only authoritative reference source on the propagator concept, now thoroughly revised and updated Much has changed in the study of quantum and theoretical chemistry since the publication of the first edition of Propagators in Quantum Chemistry. Advances in computer power and software packages now make it possible to calculate molecular structure, properties, spectra, and reactivity with greater predictive power. Chemical processes, especially under conditions not readily available in the laboratory, can also be much more easily studied via theory and computations. In this environment, the concept of propagators (or Green's functions) is emerging as an increasingly useful tool in the study of atomic and molecular processes. Propagators in Quantum Chemistry, Second Edition presents the theory and basic approximations of propagators in a unified manner as it provides: * A thorough introduction to propagators, and how they can be used to study atomic and molecular properties and spectra * Updated examples and technical details of the use of the propagator concept in various common approximate treatments * Problems that provide the opportunity to work out further details and applications of the theory Propagators, which are still gaining acceptance as tools in theoretical chemistry, have a long-demonstrated power and success in a number of areas including condensed matter physics. Propagators in Quantum Chemistry clearly describes the unprecedented utility and value of propagators, and explores how and why they are becoming increasingly important to scientists and researchers across the scientific spectrum. |
| quantum chemistry 2nd edition: Quantum Chemistry Donald A Mcquarrie, 2007-01-01 |
| quantum chemistry 2nd edition: Modern Quantum Chemistry Attila Szabo, Neil S. Ostlund, 2012-06-08 This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition. |
| quantum chemistry 2nd edition: Elementary Quantum Chemistry, Second Edition Frank L. Pilar, 2013-08-22 As the author notes in the Preface to this valuable text, experimental chemists have moved past studying the average behavior of atoms or molecules to probe the step-by-step behavior of individual atoms and molecules as they collide, form 'transition states,' and ultimately form products. In such experiments, quantum mechanical computations do two useful tasks: They fill in the observational gaps and help to interpret what has been observed. This introductory course — developed by the former chairman of the chemistry department at the University of New Hampshire — covers, among other topics, the origins of the quantum theory, the Schrödinger wave equation, the quantum mechanics of simple systems, the rigid rotator, the hydrogen atom, electron spin and many-electron systems, the quantum states of atoms, the Hartree-Fock self-consistent field method, the electronic structure of molecules, and semi-empirical molecular orbital methods. One of the great values of the course is its calculations and diagrams, which were created specifically for this text and which students will be able to replicate on their home computers. The text will be most useful for advanced undergraduate or beginning graduate students who have had calculus and at least a year of undergraduate physics. A knowledge of differential equations, linear algebra, and atomic physics is helpful but not essential. Seven appendices give a concise exposition of mathematical and physical material that may not be part of the students' background. |
| quantum chemistry 2nd edition: Quantum Chemistry Ajit Thakkar, 2017-10-03 This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages. |
| quantum chemistry 2nd edition: Elementary Quantum Chemistry Frank L. Pilar, 1990 Useful introductory course covers origins of quantum theory, Schrö dinger wave equation, quantum mechanics of simple systems, electron spin, the quantum states of atoms, the Hartree-Fock self-consistent field method, more. |
| quantum chemistry 2nd edition: Computational Quantum Chemistry Ram Yatan Prasad, Pranita, 2021-03-10 Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked-out examples and unsolved problems for enhancing the computational skill of the users. Features Includes comprehensive coverage of most essential basic concepts Achieves greater clarity with improved planning of topics and is reader-friendly Deals with the mathematical techniques which will help readers to more efficient problem solving Explains a structured approach for mathematical derivations A reference book for academicians and scientific investigators Ram Yatan Prasad, PhD, DSc (India), DSc (hc) Colombo, is a Professor of Chemistry and former Vice Chancellor of S.K.M University, Jharkhand, India. Pranita, PhD, DSc (hc) Sri Lanka, FICS, is an Assistant Professor of Chemistry at Vinoba Bhave University, India. |
| quantum chemistry 2nd edition: Relativistic Quantum Chemistry Markus Reiher, Alexander Wolf, 2009-05-13 Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From the contents: * Fundamentals * Relativistic Theory of a Free Electron: Diracï¿1⁄2s Equation * Dirac Theory of a Single Electron in a Central Potential * Many-Electron Theory I: Quantum Electrodynamics * Many-Electron Theory II: Dirac-Hartree-Fock Theory * Elimination of the Small Component * Unitary Transformation Schemes * Relativistic Density Functional Theory * Physical Observables and Molecular Properties * Interpretive Approach to Relativistic Quantum Chemistry From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists. |
| quantum chemistry 2nd edition: Essentials of Computational Chemistry Christopher J. Cramer, 2013-04-29 Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context. |
| quantum chemistry 2nd edition: Computational Chemistry Errol G. Lewars, 2007-05-08 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. |
| quantum chemistry 2nd edition: Mathematics for Quantum Chemistry Jay Martin Anderson, 2012-12-13 Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition. |
| quantum chemistry 2nd edition: Quantum Mechanics in Chemistry George C. Schatz, Mark A. Ratner, 2002-01-28 Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers. |
| quantum chemistry 2nd edition: Quantum Mechanics Nouredine Zettili, 2009-02-17 Quantum Mechanics: Concepts and Applications provides a clear, balanced and modern introduction to the subject. Written with the student’s background and ability in mind the book takes an innovative approach to quantum mechanics by combining the essential elements of the theory with the practical applications: it is therefore both a textbook and a problem solving book in one self-contained volume. Carefully structured, the book starts with the experimental basis of quantum mechanics and then discusses its mathematical tools. Subsequent chapters cover the formal foundations of the subject, the exact solutions of the Schrödinger equation for one and three dimensional potentials, time-independent and time-dependent approximation methods, and finally, the theory of scattering. The text is richly illustrated throughout with many worked examples and numerous problems with step-by-step solutions designed to help the reader master the machinery of quantum mechanics. The new edition has been completely updated and a solutions manual is available on request. Suitable for senior undergradutate courses and graduate courses. |
| quantum chemistry 2nd edition: Ideas of Quantum Chemistry Lucjan Piela, 2007 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 |
| quantum chemistry 2nd edition: Introduction to Quantum Mechanics David J. Griffiths, 2017 This bestselling textbook teaches students how to do quantum mechanics and provides an insightful discussion of what it actually means. |
| quantum chemistry 2nd edition: Applied Quantum Mechanics A. F. J. Levi, 2006-06 This updated and expanded edition makes quantum mechanics accessible to electrical engineers, mechanical engineers, materials scientists and applied physicists by using real-world applications and engineering examples. Numerous illustrations, exercises, worked examples and problems are included; Matlab source codes to support the text are available from www.cambridge.org//9780521860963. |
| quantum chemistry 2nd edition: Quantum Mechanics in Chemistry Melvin W. Hanna, 1969 Includes bibliographical references. |
| quantum chemistry 2nd edition: Student Problems and Solutions Manual for Quantum Chemistry 2e Mark Marshall, Helen Leung, 2007-11-30 The detailed solutions manual accompanies the second edition of McQuarrie's Quantum Chemistry. |
| quantum chemistry 2nd edition: Molecular Physics and Elements of Quantum Chemistry Hermann Haken, Hans Christoph Wolf, 2013-03-09 This textbook is intended for use by students of physics, physical chemistry, and theoretical chemistry. The reader is presumed to have a basic knowledge of atomic and quantum physics at the level provided, for example, by the first few chapters in our book The Physics of Atoms and Quanta. The student of physics will find here material which should be included in the basic education of every physicist. This book should furthermore allow students to acquire an appreciation of the breadth and variety within the field of molecular physics and its future as a fascinating area of research. For the student of chemistry, the concepts introduced in this book will provide a theoretical framework for his or her field of study. With the help of these concepts, it is at least in principle possible to reduce the enormous body of empirical chemical knowledge to a few fundamental rules: those of quantum mechanics. In addition, modem physical methods whose fundamentals are introduced here are becoming increasingly important in chemistry and now represent indispensable tools for the chemist. As examples, we might mention the structural analysis of complex organic compounds, spectroscopic investigation of very rapid reaction processes or, as a practical application, the remote detection of pollutants in the air. |
| quantum chemistry 2nd edition: Bioanalytical Chemistry Susan R. Mikkelsen, Eduardo Cortón, 2016-02-22 A timely, accessible survey of the multidisciplinary field of bioanalytical chemistry Provides an all in one approach for both beginners and experts, from a broad range of backgrounds, covering introductions, theory, advanced concepts and diverse applications for each method Each chapter progresses from basic concepts to applications involving real samples Includes three new chapters on Biomimetic Materials, Lab-on-Chip, and Analytical Methods Contains end-of-chapter problems and an appendix with selected answers |
| quantum chemistry 2nd edition: Second Quantized Approach to Quantum Chemistry Peter R. Surjan, 2012-12-06 The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi~ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result. |
| quantum chemistry 2nd edition: Lecture Notes in Quantum Chemistry Björn O. Roos, 2012-12-06 Quantum Chemistry is the course material of a European Summer School in Quantum Chemistry, organized by Bj|rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method |
| quantum chemistry 2nd edition: Computational Organic Chemistry Steven M. Bachrach, 2014-04-07 The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article. |
| quantum chemistry 2nd edition: Quantum Chemistry Ira N. Levine, 1983 The Sixth Edition of this widely used textbook presents quantum chemistry for beginning graduate students and advanced undergraduates. The subject is carefully explained step-by-step, allowing students to easily follow the presentation. Necessary mathematics is reviewed in detail. Worked examples aid learning. A solutions manual for the problems is available. Extensive discussions of modern abinitio, density functional, semiempirical, and molecular mechanics methods are included.--BOOK JACKET. |
| quantum chemistry 2nd edition: A Chemist's Guide to Density Functional Theory Wolfram Koch, Max C. Holthausen, 2015-11-18 Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done! Paul von Rague Schleyer A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems. J. F. Stanton, J. Am. Chem. Soc. The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably. P. C. H. Mitchell, Appl. Organomet. Chem. The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems. M. Kaupp, Angew. Chem. |
| quantum chemistry 2nd edition: Solutions Manual for Quanta, Matter and Change Peter Atkins, Julio dePaula, Ron Friedman, 2008-12-15 |
| quantum chemistry 2nd edition: Exploring Chemistry with Electronic Structure Methods James B. Foresman, AEleen Frisch, 1996 |
| quantum chemistry 2nd edition: Quantum Phase Transitions Subir Sachdev, 2011-04-07 Describing the physical properties of quantum materials near critical points with long-range many-body quantum entanglement, this book introduces readers to the basic theory of quantum phases, their phase transitions and their observable properties. This second edition begins with a new section suitable for an introductory course on quantum phase transitions, assuming no prior knowledge of quantum field theory. It also contains several new chapters to cover important recent advances, such as the Fermi gas near unitarity, Dirac fermions, Fermi liquids and their phase transitions, quantum magnetism, and solvable models obtained from string theory. After introducing the basic theory, it moves on to a detailed description of the canonical quantum-critical phase diagram at non-zero temperatures. Finally, a variety of more complex models are explored. This book is ideal for graduate students and researchers in condensed matter physics and particle and string theory. |
| quantum chemistry 2nd edition: Solvent Effects in Chemistry Erwin Buncel, Robert A. Stairs, 2015-06-19 This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds. It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as green chemistry, where utilization and disposal of chemical waste or by-products in an environmentally safe way is as important as achieving the desired end products by all chemists nowadays. The treatment progresses from elementary to advanced material in straightforward fashion. The more advanced topics are not developed in an overly rigorous way so that upper-level undergraduates, graduates, and newcomers to the field can grasp the concepts easily. |
| quantum chemistry 2nd edition: Quantum Mechanics H.A. Kramers, 2018-05-16 Masterful exposition develops important concepts from experimental evidence and theory related to wave nature of free particles. Topics include classical mechanics of point particles and problems of atomic and molecular structure. 1957 edition. |
| quantum chemistry 2nd edition: Astrochemistry Andrew M. Shaw, 2021-11-22 A fully revised new edition of an introductory text to the dynamic and fascinating subject of astrochemistry Since the first edition in 2006 of Astrochemistry, the Mars rovers have driven 31.18 miles, there has been fly-by of Pluto changing it from a 4-pixel world on the Hubble Space Telescope into a mysterious non-planet. There have been visits to asteroids, revisiting Mercury, discovery of the Higgs Boson, discovery of over 2000 extrasolar planets and landing on the comet 67P/Churyumov–Gerasimenko by Rosetta mission – hence the timely publication of this new edition. This core textbook now includes more detailed information on the kinetic modelling of chemistry in the interstellar medium, extending the same principles of physical chemistry to meteor ablation and finally atmospheres and oceans. The increase in density from near-emptiness to 1.35 x 1021 L of water in the world's oceans is used to take single collision kinetics into ensemble thermodynamics. A new introduction of thermodynamic using meteor ablation replaces traditional bomb calorimetry and per-biotic chemistry leads to spontaneous reactions. New to the second edition: An extended discussion on matter, dark or otherwise, interstellar and stellar chemistry and the origin of pre-biotic molecules Detailed chemical kinetic models for mechanisms of chemistry in the interstellar medium Origins of life in solution, enzyme kinetics and catalysis A review of Mars and Titan as habitats for life Fully referenced throughout to reflect the research frontier An introduction to the idea of analytical mathematical engines that can do all of the heavy mathematics and fostering the skill of setting up a model and testing it 200 problems with detailed solutions Written for undergraduate and postgraduate students in astrochemistry or more generally physical chemistry, the new edition of Astrochemistry is an important introductory text to the topic, the latest developments in the field and the ubiquity of physical chemistry. |
| quantum chemistry 2nd edition: Quantum Mechanics, Volume 1 Claude Cohen-Tannoudji, Bernard Diu, Franck Laloë, 2019-12-04 This new edition of the unrivalled textbook introduces the fundamental concepts of quantum mechanics such as waves, particles and probability before explaining the postulates of quantum mechanics in detail. In the proven didactic manner, the textbook then covers the classical scope of introductory quantum mechanics, namely simple two-level systems, the one-dimensional harmonic oscillator, the quantized angular momentum and particles in a central potential. The entire book has been revised to take into account new developments in quantum mechanics curricula. The textbook retains its typical style also in the new edition: it explains the fundamental concepts in chapters which are elaborated in accompanying complements that provide more detailed discussions, examples and applications. * The quantum mechanics classic in a new edition: written by 1997 Nobel laureate Claude Cohen-Tannoudji and his colleagues Bernard Diu and Franck Laloë * As easily comprehensible as possible: all steps of the physical background and its mathematical representation are spelled out explicitly * Comprehensive: in addition to the fundamentals themselves, the book contains more than 350 worked examples plus exercises Claude Cohen-Tannoudji was a researcher at the Kastler-Brossel laboratory of the Ecole Normale Supérieure in Paris where he also studied and received his PhD in 1962. In 1973 he became Professor of atomic and molecular physics at the Collège des France. His main research interests were optical pumping, quantum optics and atom-photon interactions. In 1997, Claude Cohen-Tannoudji, together with Steven Chu and William D. Phillips, was awarded the Nobel Prize in Physics for his research on laser cooling and trapping of neutral atoms. Bernard Diu was Professor at the Denis Diderot University (Paris VII). He was engaged in research at the Laboratory of Theoretical Physics and High Energy where his focus was on strong interactions physics and statistical mechanics. Franck Laloë was a researcher at the Kastler-Brossel laboratory of the Ecole Normale Supérieure in Paris. His first assignment was with the University of Paris VI before he was appointed to the CNRS, the French National Research Center. His research was focused on optical pumping, statistical mechanics of quantum gases, musical acoustics and the foundations of quantum mechanics. |
| quantum chemistry 2nd edition: Quantum Chemistry of Solids Robert A. Evarestov, 2010-11-11 This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties. |
| quantum chemistry 2nd edition: Introduction to Quantum Mechanics S.M. Blinder, 2020-10-09 Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. - Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications - Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers - Presents additional problems and exercises to further support learning |
| quantum chemistry 2nd edition: Modern Quantum Mechanics J. J. Sakurai, Jim Napolitano, 2020-09-17 A comprehensive and engaging textbook, providing a graduate-level, non-historical, modern introduction of quantum mechanical concepts. |
| quantum chemistry 2nd edition: Stochastic Processes in Physics and Chemistry N.G. Van Kampen, 1992-11-20 This new edition of Van Kampen's standard work has been completely revised and updated. Three major changes have also been made. The Langevin equation receives more attention in a separate chapter in which non-Gaussian and colored noise are introduced. Another additional chapter contains old and new material on first-passage times and related subjects which lay the foundation for the chapter on unstable systems. Finally a completely new chapter has been written on the quantum mechanical foundations of noise. The references have also been expanded and updated. |
| quantum chemistry 2nd edition: Principles of Quantum Mechanics R. Shankar, 2012-12-06 R. Shankar has introduced major additions and updated key presentations in this second edition of Principles of Quantum Mechanics. New features of this innovative text include an entirely rewritten mathematical introduction, a discussion of Time-reversal invariance, and extensive coverage of a variety of path integrals and their applications. Additional highlights include: - Clear, accessible treatment of underlying mathematics - A review of Newtonian, Lagrangian, and Hamiltonian mechanics - Student understanding of quantum theory is enhanced by separate treatment of mathematical theorems and physical postulates - Unsurpassed coverage of path integrals and their relevance in contemporary physics The requisite text for advanced undergraduate- and graduate-level students, Principles of Quantum Mechanics, Second Edition is fully referenced and is supported by many exercises and solutions. The book’s self-contained chapters also make it suitable for independent study as well as for courses in applied disciplines. |
| quantum chemistry 2nd edition: A Modern Approach to Quantum Mechanics John Townsend, 2012-07-19 Using an innovative approach that students find both accessible and exciting, A Modern Approach to Quantum Mechanics, Second Edition lays out the foundations of quantum mechanics through the physics of intrinsic spin. Written to serve as the primary textbook for an upper-division course in quantum mechanics, Townsend's text gives professors and students a refreshing alternative to the old style of teaching, by allowing the basic physics of spin systems to drive the introduction of concepts such as Dirac notation, operators, eigenstates and eigenvalues, time evolution in quantum mechanics, and entanglement. Chapters 6 through 10 cover the more traditional subjects in wave mechanics-the Schrödinger equation in position space, the harmonic oscillator, orbital angular momentum, and central potentials-but they are motivated by the foundations developed in the earlier chapters. Students using this text will perceive wave mechanics as an important aspect of quantum mechanics, but not necessarily the core of the subject. Subsequent chapters are devoted to perturbation theory, identical particles, scattering, and the interaction of atoms with radiation, and an optional chapter on path integrals is also included. This new edition has been revised throughout to include many more worked examples and end-of-chapter problems, further enabling students to gain a complete mastery of quantum mechanics. It also includes new sections on quantum teleportation, the density operator, coherent states, and cavity quantum electrodynamics. |
| quantum chemistry 2nd edition: Quantum Chemistry Donald A. McQuarrie, 2008 The biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie presents step-by-step SCF calculations of a helium atom and a hydrogen molecule, in addition to including the Hartree-Fock method and post-Hartree-Fock methods. |
Quantum - Wikipedia
In physics, a quantum (pl.: quanta) is the minimum amount of any physical entity (physical property) involved in an interaction. The fundamental notion that a property can be "quantized" …
Quantum | Definition & Facts | Britannica
May 31, 2025 · Quantum, in physics, discrete natural unit, or packet, of energy, charge, angular momentum, or other physical property. Light, for example, appearing in some respects as a …
What Is Quantum Physics? - Caltech Science Exchange
Quantum physics is the study of matter and energy at the most fundamental level. It aims to uncover the properties and behaviors of the very building blocks of nature. While many …
Demystifying Quantum: It’s Here, There and Everywhere
Apr 10, 2024 · Quantum, often called quantum mechanics, deals with the granular and fuzzy nature of the universe and the physical behavior of its smallest particles. The idea of physical …
Quantum mechanics: Definitions, axioms, and key concepts of quantum ...
Apr 29, 2024 · Quantum mechanics, or quantum physics, is the body of scientific laws that describe the wacky behavior of photons, electrons and the other subatomic particles that make …
What is quantum in physics and computing? - TechTarget
Feb 27, 2025 · A quantum, the singular form of quanta, is the smallest discrete unit of any physical entity. For example, a quantum of light is a photon, and a quantum of electricity is an …
Science 101: Quantum Mechanics - Argonne National Laboratory
So, what is quantum? In a more general sense, the word “ quantum” can refer to the smallest possible amount of something. The field of quantum mechanics deals with the most …
DOE Explains...Quantum Mechanics | Department of Energy
Quantum mechanics is the field of physics that explains how extremely small objects simultaneously have the characteristics of both particles (tiny pieces of matter) and waves (a …
Quantum for dummies: the basics explained | Engineering and …
Apr 16, 2019 · Professor Alan Woodward from the University of Surrey attempts to demystify the quantum world by explaining key terminology and theory. Which atoms and particles does …
Quantum - definition of quantum by The Free Dictionary
A unit of energy, especially electromagnetic energy, that is the smallest physical quantity that can exist on its own. A quantum acts both like a particle and like an energy wave. Photons are …
Quantum - Wikipedia
In physics, a quantum (pl.: quanta) is the minimum amount of any physical entity (physical property) involved in an interaction. The fundamental notion that a property can be "quantized" is …
Quantum | Definition & Facts | Britannica
May 31, 2025 · Quantum, in physics, discrete natural unit, or packet, of energy, charge, angular momentum, or other physical property. Light, for example, appearing in some …
What Is Quantum Physics? - Caltech Science Exchange
Quantum physics is the study of matter and energy at the most fundamental level. It aims to uncover the properties and behaviors of the very building blocks of nature. While many …
Demystifying Quantum: It’s Here, There and Everywhere
Apr 10, 2024 · Quantum, often called quantum mechanics, deals with the granular and fuzzy nature of the universe and the physical behavior of its smallest particles. The idea of …
Quantum mechanics: Definitions, axioms, and key c…
Apr 29, 2024 · Quantum mechanics, or quantum physics, is the body of scientific laws that describe the wacky behavior of photons, electrons and the other subatomic particles that make …
