The Quantum Theory Of Atoms In Molecules

Author : Chérif F. Matta,Russell J. Boyd
Publisher : John Wiley & Sons
Page : 567 pages
File Size : 54,6 Mb
Release : 2007-04-09
Category : Science
ISBN : 9783527307487

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The Quantum Theory of Atoms in Molecules by Chérif F. Matta,Russell J. Boyd Pdf

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.

Author : Richard F. W. Bader
Publisher : Oxford University Press
Page : 438 pages
File Size : 41,6 Mb
Release : 1990
Category : Science
ISBN : 0198551681

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Atoms in Molecules by Richard F. W. Bader Pdf

The molecular structure hypothesis--the proposition that a molecule is a collection of atoms linked by a network of bonds--provides the principal means of ordering and classifying observations in chemistry. It is not, however, directly related to the physics which govern the motions of atomic nuclei and electrons. This important book develops a theory establishing that molecular structure--with properties predicted and defined by the laws of quantum mechanics--can be explained in terms of underlying physics. As a result, the classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics can be incorporated into the resulting theory--a theory of atoms in molecules. Eminently accessible and readable, this unique book will interest all physical scientists who use the concepts of atoms, bonds, and structure in the interpretation of their work.

Author : Richard F. W. Bader
Publisher : Oxford University Press on Demand
Page : 438 pages
File Size : 54,7 Mb
Release : 1994
Category : Science
ISBN : 0198558651

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Atoms in Molecules by Richard F. W. Bader Pdf

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.

Author : Ian P Grant
Publisher : Springer Science & Business Media
Page : 813 pages
File Size : 46,9 Mb
Release : 2007-04-15
Category : Science
ISBN : 9780387350691

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Relativistic Quantum Theory of Atoms and Molecules by Ian P Grant Pdf

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.

Author : John Avery
Publisher : Unknown
Page : 404 pages
File Size : 51,7 Mb
Release : 1972
Category : Science
ISBN : STANFORD:36105005259077

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The Quantum Theory of Atoms, Molecules and Photons by John Avery Pdf

Author : John Clarke Slater
Publisher : Unknown
Page : 674 pages
File Size : 44,9 Mb
Release : 1966
Category : Science
ISBN : UOM:39015001328924

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Quantum Theory of Atoms, Molecules, and the Solid State by John Clarke Slater Pdf

Author : Philip S. C. Matthews
Publisher : CUP Archive
Page : 180 pages
File Size : 49,6 Mb
Release : 1986-12-11
Category : Science
ISBN : 0521270251

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Quantum Chemistry of Atoms and Molecules by Philip S. C. Matthews Pdf

This 1986 book emphasises the fundamental ideas of quantum theory as they relate to its mainstream areas such as bonding and spectroscopy; elementary ideas on the use of symmetry are also included. No prior knowledge of quantum theory is assumed, and help is given in understanding the mathematics that is involved.

Author : Paul L. A. Popelier
Publisher : Longman Publishing Group
Page : 0 pages
File Size : 55,7 Mb
Release : 2000
Category : Atoms
ISBN : 0582367980

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Atoms in Molecules by Paul L. A. Popelier Pdf

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.

Author : Mitchel Weissbluth
Publisher : Elsevier
Page : 730 pages
File Size : 41,5 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323142946

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Atoms and Molecules by Mitchel Weissbluth Pdf

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.

Author : Jochen Schirmer
Publisher : Springer
Page : 332 pages
File Size : 40,6 Mb
Release : 2018-11-02
Category : Science
ISBN : 9783319936024

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Many-Body Methods for Atoms, Molecules and Clusters by Jochen Schirmer Pdf

This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.

Author : Hermann Haken,Hans C. Wolf
Publisher : Springer Science & Business Media
Page : 461 pages
File Size : 43,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642970146

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Atomic and Quantum Physics by Hermann Haken,Hans C. Wolf Pdf

Atomic physics and its underlying quantum theory are the point of departure for many modern areas of physics, astrophysics, chemistry, biology, and even electrical engineering. This textbook provides a careful and eminently readable introduction to the results and methods of empirical atomic physics. The student will acquire the tools of quantum physics and at the same time learn about the interplay between experiment and theory. A chapter on the quantum theory of the chemical bond provides the reader with an introduction to molecular physics. Plenty of problems are given to elucidate the material. The authors also discuss laser physics and nonlinear spectroscopy, incorporating latest experimental results and showing their relevance to basic research. Extra items in the second edition include solutions to the exercises, derivations of the relativistic Klein-Gordon and Dirac equations, a detailed theoretical derivation of the Lamb shift, a discussion of new developments in the spectroscopy of inner shells, and new applications of NMR spectroscopy, for instance tomography.

Author : S.P. Khare
Publisher : Springer Science & Business Media
Page : 362 pages
File Size : 44,7 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461506119

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Introduction to the Theory of Collisions of Electrons with Atoms and Molecules by S.P. Khare Pdf

An understanding of the collisions between micro particles is of great importance for the number of fields belonging to physics, chemistry, astrophysics, biophysics etc. The present book, a theory for electron-atom and molecule collisions is developed using non-relativistic quantum mechanics in a systematic and lucid manner. The scattering theory is an essential part of the quantum mechanics course of all universities. During the last 30 years, the author has lectured on the topics presented in this book (collisions physics, photon-atom collisions, electron-atom and electron-molecule collisions, "electron-photon delayed coincidence technique", etc.) at many institutions including Wayne State University, Detroit, MI, The University of Western Ontario, Canada, and The Meerut University, India. The present book is the outcome of those lectures and is written to serve as a textbook for post-graduate and pre-PhD students and as a reference book for researchers.

Author : Robert L Brooks
Publisher : Springer Science & Business Media
Page : 184 pages
File Size : 46,8 Mb
Release : 2014-07-08
Category : Science
ISBN : 9781461466789

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The Fundamentals of Atomic and Molecular Physics by Robert L Brooks Pdf

The Fundamentals of Atomic and Molecular Physics is intended as an introduction to the field for advanced undergraduates who have taken quantum mechanics. Each chapter builds upon the previous, using the same tools and methods throughout. As the students progress through the book, their ability to use these tools will steadily increase, along with their confidence in their efficacy. The book treats the two-electron atom as the simplest example of the many-electron atom—as opposed to using techniques that are not applicable to many-electron atoms—so that it is unnecessary to develop additional equations when turning to multielectron atoms, such as carbon. External fields are treated using both perturbation theory and direct diagonalization and spontaneous emission is developed from first principles. Only diatomic molecules are considered with the hydrogen molecular ion and neutral molecule treated in some detail. This comprehensive coverage of the quantum mechanics of complex atoms and simple diatomic molecules, developed from the very basic components, is extremely useful for students considering graduate studies in any area of physics.

Author : Boris M. Smirnov
Publisher : Springer Science & Business Media
Page : 443 pages
File Size : 55,6 Mb
Release : 2006-05-17
Category : Science
ISBN : 9780387217307

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Physics of Atoms and Ions by Boris M. Smirnov Pdf

Intended for advanced students of physics, chemistry and related disciplines, this text treats the quantum theory of atoms and ions within the framework of self-consistent fields. Data needed for the analysis of collisions and other atomic processes are also included.

Author : Wolfgang Demtröder
Publisher : Springer Science & Business Media
Page : 601 pages
File Size : 51,7 Mb
Release : 2010-11-10
Category : Science
ISBN : 9783642102981

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Atoms, Molecules and Photons by Wolfgang Demtröder Pdf

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.