Quantum Theory for Chemical Applications PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Quantum Theory for Chemical Applications PDF full book. Access full book title Quantum Theory for Chemical Applications by Jochen Autschbach. Download full books in PDF and EPUB format.
Author: Jochen Autschbach
Publisher: Oxford University Press, USA
ISBN: 0190920807
Category : Science
Languages : en
Pages : 756
Get Book
Book Description
"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--
Author: Jochen Autschbach
Publisher: Oxford University Press, USA
ISBN: 0190920807
Category : Science
Languages : en
Pages : 756
Get Book
Book Description
"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--
Author: Linus Pauling
Publisher: Courier Corporation
ISBN: 0486134938
Category : Science
Languages : en
Pages : 496
Get Book
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: Tamás Veszprémi
Publisher: Springer Science & Business Media
ISBN: 1461541891
Category : Science
Languages : en
Pages : 381
Get Book
Book Description
`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.
Author: V.P. Gupta
Publisher: Academic Press
ISBN: 0128035013
Category : Science
Languages : en
Pages : 478
Get Book
Book Description
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools
Author: George C. Schatz
Publisher: Courier Corporation
ISBN: 0486420035
Category : Science
Languages : en
Pages : 386
Get Book
Book Description
Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.
Author: Jack Simons
Publisher: Oxford University Press on Demand
ISBN: 9780195082005
Category : History
Languages : en
Pages : 612
Get Book
Book Description
Written for beginning graduate students and advanced undergraduates in all areas of chemistry, this text offers great flexibility. It is unique in that it combines both introductory and modern quantum chemistry in a single book. The introductory material is covered in less detail, allowing the instructor to extend the coverage into areas of greater importance, including introductions to molecular spectroscopy and chemical dynamics and a very thorough group of chapters on computational chemistry as applied to electronic structures. A large number of exercises, problems, and solutions, and a disk of text-related computer programs are also included, further enhancing the utility value of the text.
Author: David V. George
Publisher: Elsevier
ISBN: 1483278557
Category : Science
Languages : en
Pages : 284
Get Book
Book Description
Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum chemistry; symmetry in chemistry; and molecular-orbital theory are also covered. This publication is recommended for students taking undergraduate and graduate courses in quantum chemistry.
Author: David O. Hayward
Publisher: Royal Society of Chemistry
ISBN: 9780854046072
Category : Education
Languages : en
Pages : 196
Get Book
Book Description
This book is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics.
Author: Donald D. Fitts
Publisher: Cambridge University Press
ISBN: 0521651247
Category : Science
Languages : en
Pages : 366
Get Book
Book Description
This text presents a rigorous mathematical account of the principles of quantum mechanics, in particular as applied to chemistry and chemical physics. Applications are used as illustrations of the basic theory. The first two chapters serve as an introduction to quantum theory, although it is assumed that the reader has been exposed to elementary quantum mechanics as part of an undergraduate physical chemistry or atomic physics course. Following a discussion of wave motion leading to Schrödinger's wave mechanics, the postulates of quantum mechanics are presented along with essential mathematical concepts and techniques. The postulates are rigorously applied to the harmonic oscillator, angular momentum, the hydrogen atom, the variation method, perturbation theory, and nuclear motion. Modern theoretical concepts such as hermitian operators, Hilbert space, Dirac notation, and ladder operators are introduced and used throughout. This text is appropriate for beginning graduate students in chemistry, chemical physics, molecular physics and materials science.
Author: Charles S. Johnson
Publisher: Courier Corporation
ISBN: 0486151530
Category : Science
Languages : en
Pages : 750
Get Book
Book Description
Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.
