Quantum Theory of Atomic Structure
Author: John Clarke Slater
Publisher:
Published: 1960
Total Pages: 464
ISBN-13:
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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
DOWNLOAD EBOOKThis 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.
Relativistic Quantum Theory of Atoms and Molecules
Author: Ian P Grant
Publisher: Springer Science & Business Media
Published: 2007-04-15
Total Pages: 813
ISBN-13: 0387350691
DOWNLOAD EBOOKThis 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.
Electronic Structure Calculations for Solids and Molecules
Author: Jorge Kohanoff
Publisher: Cambridge University Press
Published: 2006-06-29
Total Pages: 372
ISBN-13: 1139453483
DOWNLOAD EBOOKElectronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Atoms in Molecules
Author: Richard F. W. Bader
Publisher: Oxford University Press on Demand
Published: 1994
Total Pages: 438
ISBN-13: 9780198558651
DOWNLOAD EBOOKThe 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.
Modern Quantum Chemistry
Author: Attila Szabo
Publisher: Courier Corporation
Published: 2012-06-08
Total Pages: 484
ISBN-13: 0486134598
DOWNLOAD EBOOKThis 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.
Methods of Electronic-Structure Calculations
Author: Michael Springborg
Publisher: Wiley
Published: 2000-07-26
Total Pages: 0
ISBN-13: 9780471979760
DOWNLOAD EBOOKElectronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations. This title bridges that gap, focusing equally on both types of method, including density-functional and Hartree-Fock-based approaches. The book is aimed at final-year undergraduate and postgraduate students of both chemistry and of physics. It describes in detail the fundamentals behind the various methods that are used in calculating electronic properties of materials, and that to some extent are commercially available. It should also be of interest to professional scientists working in related theoretical or experimental fields.
Electronic Structure and the Properties of Solids
Author: Walter A. Harrison
Publisher: Courier Corporation
Published: 2012-03-08
Total Pages: 610
ISBN-13: 0486141780
DOWNLOAD EBOOKThis text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.
Perspectives in Electronic Structure Theory
Author: Roman F. Nalewajski
Publisher: Springer Science & Business Media
Published: 2012-03-26
Total Pages: 727
ISBN-13: 3642201792
DOWNLOAD EBOOKThe understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
Group Theory and Quantum Mechanics
Author: Michael Tinkham
Publisher: Courier Corporation
Published: 2012-04-20
Total Pages: 354
ISBN-13: 0486131661
DOWNLOAD EBOOKThis graduate-level text develops the aspects of group theory most relevant to physics and chemistry (such as the theory of representations) and illustrates their applications to quantum mechanics. The first five chapters focus chiefly on the introduction of methods, illustrated by physical examples, and the final three chapters offer a systematic treatment of the quantum theory of atoms, molecules, and solids. The formal theory of finite groups and their representation is developed in Chapters 1 through 4 and illustrated by examples from the crystallographic point groups basic to solid-state and molecular theory. Chapter 5 is devoted to the theory of systems with full rotational symmetry, Chapter 6 to the systematic presentation of atomic structure, and Chapter 7 to molecular quantum mechanics. Chapter 8, which deals with solid-state physics, treats electronic energy band theory and magnetic crystal symmetry. A compact and worthwhile compilation of the scattered material on standard methods, this volume presumes a basic understanding of quantum theory.
