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Author: John Clarke Slater
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 672
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Book Description
Author: John Clarke Slater
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 672
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Book Description
Author: Chérif F. Matta
Publisher: John Wiley & Sons
ISBN: 3527307486
Category : Science
Languages : en
Pages : 567
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Book Description
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: N.I. Gidopoulos
Publisher: Springer Science & Business Media
ISBN: 9401704090
Category : Science
Languages : en
Pages : 233
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Book Description
This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel ativistic quantum mechanics is required for molecular systems contain ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.
Author: Stephen Wilson
Publisher: Springer Science & Business Media
ISBN: 1461537029
Category : Science
Languages : en
Pages : 341
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Book Description
Recent years have seen a growing interest in the effects of relativity in atoms, molecules and solids. On the one hand, this can be seen as result of the growing awareness of the importance of relativity in describing the properties of heavy atoms and systems containing them. This has been fueled by the inadequacy of physical models which either neglect relativity or which treat it as a small perturbation. On the other hand, it is dependent upon the technological developments which have resulted in computers powerful enough to make calculations on heavy atoms and on systems containing heavy atoms meaningful. Vector processing and, more recently, parallel processing techniques are playing an increasingly vital role in rendering the algorithms which arise in relativistic studies tractable. This has been exemplified in atomic structure theory, where the dominant role of the central nuclear charge simplifies the problem enough to permit some prediction to be made with high precision, especially for the highly ionized atoms of importance in plasma physics and in laser confinement studies. Today's sophisticated physical models of the atom derived from quantum electrodynamics would be intractable without recourse to modern computational machinery. Relativistic atomic structure calculations have a history dating from the early attempts of Swirles in the mid 1930's but continue to provide one of the primary test beds of modern theoretical physics.
Author: Richard F. W. Bader
Publisher: Oxford University Press on Demand
ISBN: 9780198558651
Category : Science
Languages : en
Pages : 438
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Book Description
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: Michael A. Morrison
Publisher: Prentice Hall
ISBN:
Category : Science
Languages : en
Pages : 600
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Book Description
Problems after each chapter
Author: Robert L. Sproull
Publisher: Courier Dover Publications
ISBN: 0486802264
Category : Science
Languages : en
Pages : 704
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Book Description
This introduction to the concepts and methods of quantum mechanics employs the analysis of one-dimensional problems to offer students a quantitative understanding of atomic, molecular, solid-state, and nuclear physics. Applications of these concepts and methods help answer the most intriguing questions of modern physics: What holds matter together? Holds it apart? How does the variety of chemical properties of different elements arise? How do electrons move through solids? Why do nuclei that occur in nature possess only certain combinations of protons and neutrons? The text presents meaningful problems by topic — supplemented by ample illustrations, applications, and exercises — that address the most intriguing questions of modern physics. Answers to selected problems appear in the appendix. Geared toward science and engineering majors, this volume is also appropriate for independent study by those who have completed a general physics course.
Author: Peter Fulde
Publisher: Springer Science & Business Media
ISBN: 3642578098
Category : Science
Languages : en
Pages : 492
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Book Description
Dieser Titel verbindet die Festkörpertheorie mit der Quantenchemie. Neue Konzepte der Vielteilchen-Verarbeitung und Korrelations-Effekte, normale quantenchemische Verfahren mit Projektionstechniken, Greensche Funktionen und Monte-Carlo-Methoden werden erarbeitet. Anwendungsbereiche der Molekültheorie, von Halbleitern, supraleitender high-Tc-Materialien, etc., werden vorgestellt.
Author: James R. Chelikowsky
Publisher: John Wiley & Sons
ISBN: 352765500X
Category : Technology & Engineering
Languages : en
Pages : 224
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Book Description
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.
Author: Robert Martin Eisberg
Publisher: John Wiley & Sons
ISBN:
Category : Science
Languages : en
Pages : 868
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Book Description
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. Emphasizes the applications of theory, and contains new material on particle physics, electron-positron annihilation in solids and the Mossbauer effect. Includes new appendices on such topics as crystallography, Fourier Integral Description of a Wave Group, and Time-Independent Perturbation Theory.
