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Atoms In Molecules by Richard F. W. Bader

Title Atoms in Molecules
Author Richard F. W. Bader
Publisher Oxford University Press on Demand
Release Date 1994
Category Science
Total Pages 438
ISBN 0198558651
Language English, Spanish, and French
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Book Summary:

The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry.

Title The Quantum Theory of Atoms in Molecules
Author Chérif F. Matta
Publisher John Wiley & Sons
Release Date 2007-06-27
Category Science
Total Pages 567
ISBN 9783527610693
Language English, Spanish, and French
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Book Summary:

This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Title Relativistic Quantum Theory of Atoms and Molecules
Author Ian P Grant
Publisher Springer Science & Business Media
Release Date 2007-04-15
Category Science
Total Pages 800
ISBN 9780387350691
Language English, Spanish, and French
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Book Summary:

This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.

Title The Quantum Theory of Atoms in Molecules
Author Chérif F. Matta
Publisher John Wiley & Sons
Release Date 2007-04-09
Category Science
Total Pages 567
ISBN 9783527307487
Language English, Spanish, and French
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Book Summary:

This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Title A Course in Mathematical Physics 3
Author Walter Thirring
Publisher Springer Science & Business Media
Release Date 2013-11-11
Category Science
Total Pages 300
ISBN 9783709175231
Language English, Spanish, and French
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Book Summary:

In this third volume of A Course in Mathematical Physics I have attempted not simply to introduce axioms and derive quantum mechanics from them, but also to progress to relevant applications. Reading the axiomatic litera ture often gives one the impression that it largely consists of making refined axioms, thereby freeing physics from any trace of down-to-earth residue and cutting it off from simpler ways of thinking. The goal pursued here, however, is to come up with concrete results that can be compared with experimental facts. Everything else should be regarded only as a side issue, and has been chosen for pragmatic reasons. It is precisely with this in mind that I feel it appropriate to draw upon the most modern mathematical methods. Only by their means can the logical fabric of quantum theory be woven with a smooth structure; in their absence, rough spots would . inevitably appear, especially in the theory of unbounded operators, where the details are too intricate to be comprehended easily. Great care has been taken to build up this mathematical weaponry as completely as possible, as it is also the basic arsenal of the next volume. This means that many proofs have been tucked away in the exercises. My greatest concern was to replace the ordinary cal culations of uncertain accuracy with better ones having error bounds, in order to raise the crude manners of theoretical physics to the more cultivated level of experimental physics.

Atoms In Molecules by P. L. A. Popelier

Title Atoms in Molecules
Author P. L. A. Popelier
Publisher Pearson College Division
Release Date 2000
Category Science
Total Pages 164
ISBN 0582367980
Language English, Spanish, and French
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Book Summary:

Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience.

Atoms And Molecules by Mitchel Weissbluth

Title Atoms and Molecules
Author Mitchel Weissbluth
Publisher Elsevier
Release Date 2012-12-02
Category Science
Total Pages 730
ISBN 9780323142946
Language English, Spanish, and French
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Book Summary:

Atoms and Molecules describes the basic properties of atoms and molecules in terms of group theoretical methods in atomic and molecular physics. The book reviews mathematical concepts related to angular momentum properties, finite and continuous rotation groups, tensor operators, the Wigner-Eckart theorem, vector fields, and vector spherical harmonics. The text also explains quantum mechanics, including symmetry considerations, second quantization, density matrices, time-dependent, and time-independent approximation methods. The book explains atomic structure, particularly the Dirac equation in which its nonrelativistic approximation provides the basis for the derivation of the Hamiltonians for all important interactions, such as spin-orbit, external fields, hyperfine. Along with multielectron atoms, the text discusses multiplet theory, the Hartree-Fock formulation, as well as the electromagnetic radiation fields, their interactions with atoms in first and higher orders. The book explores molecules and complexes, including the Born-Oppenheimer approximation, molecular orbitals, the self-consistent field method, electronic states, vibrational and rotational states, molecular spectra, and the ligand field theory. The book can prove useful for graduate or advanced students and academicians in the field of general and applied physics.

Title Density Functional Theory of Atoms and Molecules
Author Robert G. Parr
Publisher Oxford University Press
Release Date 1994-05-26
Category Science
Total Pages 352
ISBN 0195357736
Language English, Spanish, and French
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Book Summary:

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.

Title Ideas of Quantum Chemistry
Author Lucjan Piela
Publisher Elsevier
Release Date 2006-11-28
Category Science
Total Pages 1120
ISBN 0080466761
Language English, Spanish, and French
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Book Summary:

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

Atoms Molecules And Photons by Wolfgang Demtröder

Title Atoms Molecules and Photons
Author Wolfgang Demtröder
Publisher Springer Science & Business Media
Release Date 2006-03-06
Category Science
Total Pages 573
ISBN 9783540323464
Language English, Spanish, and French
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Book Summary:

This introduction to Atomic and Molecular Physics explains how our present model of atoms and molecules has been developed during the last two centuries by many experimental discoveries and from the theoretical side by the introduction of quantum physics to the adequate description of micro-particles. It illustrates the wave model of particles by many examples and shows the limits of classical description. The interaction of electromagnetic radiation with atoms and molecules and its potential for spectroscopy is outlined in more detail and in particular lasers as modern spectroscopic tools are discussed more thoroughly. Many examples and problems with solutions should induce the reader to an intense active cooperation.

Quantum Chemistry Atoms Molecules by Philip S. C. Matthews

Title Quantum Chemistry Atoms Molecules
Author Philip S. C. Matthews
Publisher CUP Archive
Release Date 1986-12-11
Category Science
Total Pages 167
ISBN 052124854X
Language English, Spanish, and French
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Book Summary:

In this book, Dr Matthews emphasises the fundamental ideas of quantum theory as they relate to mainstream areas of chemistry such as bonding and spectroscopy; elementary ideas on the use of symmetry are also included. No prior knowledge of quantum theory is assumed, and considerable help is given to the student in understanding the mathematics that is involved. Much of this mathematics is integrated into the text, but the more intricate portions are to be found in separate boxes; these can be left on a first reading and returned to later. There are also questions and problems at the end of nearly every section, and these are designed to test the student's understanding of the text and to give fresh insights into the work; full answers are provided.

Title The Physics of Atoms and Quanta
Author Hermann Haken
Publisher Springer Science & Business Media
Release Date 2012-12-06
Category Science
Total Pages 467
ISBN 9783642975677
Language English, Spanish, and French
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Book Summary:

This fourth edition contains a few additional figures. Otherwise only typographical er rors have been removed. The final chapter on Fundamentals of the Quantum Theory of Chemical Bonding is continued in an extended way in the textbook Molecular Physics and Elements of Quantum Chemistry by the same authors. This book contains, in particular, a profound presentation of group theory as applied to atoms and molecules. Furthermore, the in teraction between atoms and molecules and light is treated in detail. We thank again Springer-Verlag, in particular Dr. H.1. Kblsch and Mr. C.-D. Bachem for their excellent cooperation as always, and Prof. W. D. Brewer for his con tinuous support in translating our German text. Stuttgart, February 1994 H. Haken H. C. Wolf Preface to the Third Edition The second edition of this book again enjoyed a very positive reception from both uni versity teachers and students. In this edition we have removed all of the typographical errors that came to our attention. In order to keep the book as current as possible, new developments in the direct observation of individual atoms in electromagnetic traps (Paul traps) and of atoms in molecules on solid surfaces using the scanning tunnel microscope have been added to this edition.

Title Making Crystals by Design
Author Dario Braga
Publisher John Wiley & Sons
Release Date 2007-02-27
Category Science
Total Pages 362
ISBN 9783527609659
Language English, Spanish, and French
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Book Summary:

An excellent overview of the manifold aspects of modern crystal engineering. From design and preparation to spectroscopy and applications, this handbook both covers and evaluates all aspects of crystal engineering. Clearly structured, it provides an overview of the current status as seen from its various angles as well as a comparison of different techniques and applications. An essential source of high quality information for everyone working in this booming and interdisciplinary field: spectroscopists, physical and inorganic chemists as well as materials scientists working in nanotechnology and the pharmaceutical industry.

Title Introduction to the Quantum World of Atoms and Molecules
Author Jens Peder Dahl
Publisher World Scientific
Release Date 2001
Category Science
Total Pages 460
ISBN 9810245653
Language English, Spanish, and French
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Book Summary:

This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree?Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.

Title Introductory Quantum Mechanics with MATLAB
Author James R. Chelikowsky
Publisher John Wiley & Sons
Release Date 2018-08-24
Category Technology & Engineering
Total Pages 224
ISBN 9783527655007
Language English, Spanish, and French
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Book Summary:

Presents a unique approach to grasping the concepts of quantum theory with a focus on atoms, clusters, and crystals Quantum theory of atoms and molecules is vitally important in molecular physics, materials science, nanoscience, solid state physics and many related fields. Introductory Quantum Mechanics with MATLAB is designed to be an accessible guide to quantum theory and its applications. The textbook uses the popular MATLAB programming language for the analytical and numerical solution of quantum mechanical problems, with a particular focus on clusters and assemblies of atoms. The textbook is written by a noted researcher and expert on the topic who introduces density functional theory, variational calculus and other practice-proven methods for the solution of quantum-mechanical problems. This important guide: -Presents the material in a didactical manner to help students grasp the concepts and applications of quantum theory -Covers a wealth of cutting-edge topics such as clusters, nanocrystals, transitions and organic molecules -Offers MATLAB codes to solve real-life quantum mechanical problems Written for master's and PhD students in physics, chemistry, material science, and engineering sciences, Introductory Quantum Mechanics with MATLAB contains an accessible approach to understanding the concepts of quantum theory applied to atoms, clusters, and crystals.

Title Principles and Applications of Quantum Chemistry
Author V.P. Gupta
Publisher Academic Press
Release Date 2015-10-15
Category Science
Total Pages 478
ISBN 9780128035016
Language English, Spanish, and French
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Book Summary:

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools

Title QUANTUM PHYSICS OF ATOMS MOLECULES SOLIDS NUCLEI AND PARTICLES
Author Robert Martin Eisberg
Publisher Unknown
Release Date 2006-07-01
Category Quantum theory
Total Pages 864
ISBN 8126508183
Language English, Spanish, and French
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Book Summary:

About The Book: A revision of a successful junior/senior level text, this introduction to elementary quantum mechanics clearly explains the properties of the most important quantum systems. The book emphasizes the applications of theory, and contains new material on particle physics, electron-positron annihilation in solids and the Mossbauer effect. It includes new appendices on such topics as crystallography, Fourier Integral Description of a Wave Group, and Time-Independent Perturbation Theory.

Title Many Body Methods for Atoms and Molecules
Author Rajat Kumar Chaudhuri
Publisher CRC Press
Release Date 2017-02-17
Category Science
Total Pages 238
ISBN 9781315356334
Language English, Spanish, and French
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Book Summary:

Brings Readers from the Threshold to the Frontier of Modern Research Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts. The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then in the multi-reference context. They also describe the idea of state-specific theories, Fock space-based multi-reference coupled cluster methods, and basic issues of the single-reference coupled cluster method. The book concludes with state-of-the-art methods of modern electronic structure.

Title Niels Bohr and the Quantum Atom
Author Helge Kragh
Publisher Oxford University Press
Release Date 2012-05-03
Category Biography & Autobiography
Total Pages 410
ISBN 9780199654987
Language English, Spanish, and French
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Book Summary:

Niels Bohr and the Quantum Atom gives a comprehensive account of the birth, development, and decline of Bohr's atomic theory. It presents the theory in a broad context which includes not only its technical aspects, but also its reception, dissemination, and applications in both physics and chemistry.

Chemistry Atoms First 2e by Paul Flowers

Title Chemistry Atoms First 2e
Author Paul Flowers
Publisher Unknown
Release Date 2019-02-14
Category
Total Pages 86
ISBN 1947172646
Language English, Spanish, and French
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Book Summary: