Quantum Theory of the Chemical Bond

Quantum Theory of the Chemical Bond

Author: R. Daudel

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 119

ISBN-13: 9401020957

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The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics. The discussion of the material has been arranged so as to render its main content comprehensible for readers who may not have had pre"ious training in quantum mechanics. The text comprises three major parts. It begins with an exposition of the fundamental ideas. In this section the principles are reviewed from which de Broglie developed his mechanics; this allows the book to be read by chemistry majors and freshmen alike. However, we believe that it may also be of interest to university-and college teachers who must include certain aspects of quantum chemistry into their courses while being insufficiently familiar with the subject. It may even be of interest to science teachers in secondary schools. Finally, having been a witness to the evolution of these notions for over a quarter of a century, we present certain concepts from a particular point of view which might prove attractive to chemists of all kinds, perhaps even quantum chemists. The second, more technical part summarizes the methods of constructing wave functions that describe the electrons in molecules. This section can only be fully appreciated by those readers who are familiar with some aspects of the algorithms used in quantum mechanics.


Atomic and Quantum Physics

Atomic and Quantum Physics

Author: Hermann Haken

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 461

ISBN-13: 3642970141

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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.


Lectures On Chemical Bonding And Quantum Chemistry

Lectures On Chemical Bonding And Quantum Chemistry

Author: Datta Sambhu N

Publisher: World Scientific

Published: 2019-02-25

Total Pages: 460

ISBN-13: 9811200025

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The concept of a chemical bond evolved from a variety of experimental observations. It became useful to understand, at times even predict, the molecular structure, reactivity and mechanism of chemical reactions. Every aspect of the concept of bonding received a quantitative interpretation from the advent of quantum mechanics and its application to chemistry.In Lectures on Chemical Bonding and Quantum Chemistry the reader will find a comprehensive discourse on the basic interpretation of the chemical bond as well as current understanding in terms of a 'dancing' molecule that not only travels, rotates and pulsates around an equilibrium molecular structure, but also interacts and collides with other molecules, thereby transferring linear and angular momentum characteristics and adjusting total energies. One will also find a thorough survey of quantum mechanical methodologies for calculation of molecular characteristics in specific states and their changes under spectroscopic transitions, tunneling, electron and proton transfer phenomena, and so on. Guides to more advanced levels of theory are also provided.


The Quantum Theory of Atoms in Molecules

The Quantum Theory of Atoms in Molecules

Author: Chérif F. Matta

Publisher: John Wiley & Sons

Published: 2007-04-09

Total Pages: 567

ISBN-13: 3527307486

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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.


Quantum Theory

Quantum Theory

Author: Mihai V. Putz

Publisher: CRC Press

Published: 2012-07-27

Total Pages: 274

ISBN-13: 1926895142

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Quantum Theory: Density, Condensation, and Bonding presents in a unitary manner the main actual theories of matter, mainly the density function theory (DFT) for fermions, the Bose-Einstein condensation (BEC) for bosons, and chemical bonding as a special realization of the first two so-called mixed fermionic-bosonic states. The book covers the modern and ultimately developed quantum theories involving the key concepts of density, condensation, and bonding. The book compiles, for the first time, the density functional theory with Bose-Einstein condensation and chemical bonding theories in a fresh and novel perspective. The book introduces modern theories of matter structure and explains the nature of chemical bonds under the consecrated and ultimate quantum paradigms of molecular structure. The book is divided into three parts, one for each level of studies: Part I: Primer Density Functional Theory is suitable for undergraduate introductory courses in physics, chemistry, and the natural sciences. Part II: Primer Density Functional Bose-Einstein Condensation Theory would be suitable for graduate- or master-level courses in physics or natural sciences. Part III: Modern Quantum Theories of Chemical Bonding is written for the post-graduate, master or doctorate courses on quantum structure of molecules in chemistry or natural sciences. Thus, this book is organized as a succession of three linked courses, from undergraduate, to graduate, to postgraduate levels in modern quantum theories of many-body systems. It covers three main concepts: density, condensation, and bonding and contains the most celebrated and challenging theories of matter. The book provides a fresh perspective on the quantum theory of structure of physico-chemical systems and will show students at all levels and researchers the way for future elaboration and discoveries toward the unification of the physical and chemical concepts of matter.


Quantum Chemistry

Quantum Chemistry

Author: David B. Cook

Publisher: Imperial College Press

Published: 2008

Total Pages: 276

ISBN-13: 1848162650

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This book is a presentation of a qualitative theory of chemical bonding stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to ?rationalize? the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, physical and inorganic chemistry.


Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry

Author: Linus Pauling

Publisher: Courier Corporation

Published: 2012-06-08

Total Pages: 500

ISBN-13: 0486134938

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Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.


Atoms in Molecules

Atoms in Molecules

Author: Richard F. W. Bader

Publisher: Oxford University Press on Demand

Published: 1994

Total Pages: 438

ISBN-13: 9780198558651

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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.