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Author: Walter Kauzmann Publisher: Elsevier ISBN: 1483270807 Category : Science Languages : en Pages : 756
Book Description
Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics. Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey of some essential properties of the associated Legendre functions. The final chapter deals with the Franck-Condon principle, which states that transitions tend to occur between vibrational levels of two different electronic states for which either the minimum or maximum values of the internuclear distance in the potential energy diagram occur with the same nuclear configuration. This book is a valuable resource for chemists.
Author: Walter Kauzmann Publisher: Elsevier ISBN: 1483270807 Category : Science Languages : en Pages : 756
Book Description
Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics. Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey of some essential properties of the associated Legendre functions. The final chapter deals with the Franck-Condon principle, which states that transitions tend to occur between vibrational levels of two different electronic states for which either the minimum or maximum values of the internuclear distance in the potential energy diagram occur with the same nuclear configuration. This book is a valuable resource for chemists.
Author: David J. Griffiths Publisher: Cambridge University Press ISBN: 1108103146 Category : Science Languages : en Pages : 512
Book Description
Changes and additions to the new edition of this classic textbook include a new chapter on symmetries, new problems and examples, improved explanations, more numerical problems to be worked on a computer, new applications to solid state physics, and consolidated treatment of time-dependent potentials.
Author: Linus Pauling Publisher: Courier Corporation ISBN: 0486134938 Category : Science Languages : en Pages : 496
Book Description
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.
Author: Michael Springborg Publisher: Walter de Gruyter GmbH & Co KG ISBN: 3110742233 Category : Science Languages : en Pages : 350
Book Description
This textbook introduces the reader to quantum theory and quantum chemistry. The textbook is meant for 2nd – 3rd year bachelor students of chemistry or physics, but also for students of related disciplines like materials science, pharmacy, and bioinformatics. At first, quantum theory is introduced, starting with experimental results that made it inevitable to go beyond classical physics. Subsequently, the Schrödinger equation is discussed in some detail. Some few examples for which the Schrödinger equation can be solved exactly are treated with special emphasis on relating the results to real systems and interpreting the mathematical results in terms of experimental observations. Ultimately, approximate methods are presented that are used when applying quantum theory in the field of quantum chemistry for the study of real systems like atoms, molecules, and crystals. Both the foundations for the different methods and a broader range of examples of their applications are presented. The textbook assumes no prior knowledge in quantum theory. Moreover, special emphasis is put on interpreting the mathematical results and less on an exact mathematical derivations of those. Finally, each chapter closes with a number of questions and exercises that help in focusing on the main results of the chapter. Many of the exercises include answers.
Author: Ajit Thakkar Publisher: Morgan & Claypool Publishers ISBN: 1681746387 Category : Science Languages : en Pages : 173
Book Description
This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.
Author: Attila Szabo Publisher: Courier Corporation ISBN: 0486134598 Category : Science Languages : en Pages : 480
Book Description
This 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.
Author: Frank Jensen Publisher: John Wiley & Sons ISBN: 1118825950 Category : Science Languages : en Pages : 664
Book Description
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Author: Mark A. Ratner Publisher: Pearson ISBN: Category : Quantum chemistry Languages : en Pages : 328
Book Description
This book serves as a self-study guide to familiarize users with the crucial language of modern chemistry science. It provides a background of electronic structure programs, and includes worked examples in problem solving and computer exercises. For computational chemists, materials scientists, and chemical engineers who want to learn more about their field without unnecessary complexity, detail, or formalism.
Author: Jay Martin Anderson Publisher: Courier Corporation ISBN: 0486151484 Category : Science Languages : en Pages : 177
Book Description
Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.
Author: Walter Kauzmann
Author: Walter Kauzmann
Author: David J. Griffiths
Author: Linus Pauling
Author: Michael Springborg
Author: Ajit Thakkar
Author: Attila Szabo
Author: Frank Jensen
Author: Clifford E. Dykstra
Author: Mark A. Ratner
Author: Jay Martin Anderson