Quantum Theory for Chemical Applications

Quantum Theory for Chemical Applications
Author: Jochen Autschbach
Publisher: Oxford University Press, USA
Total Pages: 756
Release: 2020-09-17
Genre: Science
ISBN: 0190920807

"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"--

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author: Lucjan Piela
Publisher: Elsevier
Total Pages: 1122
Release: 2006-11-28
Genre: Science
ISBN: 0080466761

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet.* Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry
Author: Linus Pauling
Publisher: Courier Corporation
Total Pages: 500
Release: 2012-06-08
Genre: Science
ISBN: 0486134938

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.

Quantum Mechanics in Chemistry

Quantum Mechanics in Chemistry
Author: George C. Schatz
Publisher: Courier Corporation
Total Pages: 386
Release: 2012-04-30
Genre: Science
ISBN: 0486136728

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.

Problems and Solutions in Quantum Chemistry and Physics

Problems and Solutions in Quantum Chemistry and Physics
Author: Charles S. Johnson
Publisher: Courier Corporation
Total Pages: 750
Release: 2013-01-18
Genre: Science
ISBN: 0486151530

Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author: Lucjan Piela
Publisher: Elsevier
Total Pages: 798
Release: 2020-01-11
Genre: Science
ISBN: 0444642471

Ideas of Quantum Chemistry, Volume One: From Quantum Physics to Chemistry shows how quantum mechanics is applied to molecular sciences to provide a theoretical foundation. Organized into digestible sections and written in an accessible style, it answers questions, highlighting the most important conclusions and essential mathematical formulae. Beginning with an introduction to the magic of quantum mechanics, the book goes on to review such key topics as the Schrödinger Equation, exact solutions, and fundamental approximate methods. The crucial concept of molecular shape is then discussed, followed by the motion of nuclei and the orbital model of electronic structure. This updated volume covers the latest developments in the field and can be used either on its own as a detailed introduction to quantum chemistry or in combination with Volume Two to give a complete overview of the field. - Provides fully updated coverage on an extensive range of both foundational and complex topics - Uses an innovative structure to emphasize relationships between topics and help readers tailor their own path through the book - Includes new sections on Time-Energy Uncertainty and Virial Theorem

Quantum Mechanics for Chemists

Quantum Mechanics for Chemists
Author: David O. Hayward
Publisher: Royal Society of Chemistry
Total Pages: 196
Release: 2002
Genre: Education
ISBN: 9780854046072

This book is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics.

Principles of Quantum Mechanics

Principles of Quantum Mechanics
Author: Donald D. Fitts
Publisher: Cambridge University Press
Total Pages: 366
Release: 1999-08-26
Genre: Science
ISBN: 0521651247

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.

Advanced Molecular Quantum Mechanics

Advanced Molecular Quantum Mechanics
Author: R. Moss
Publisher: Springer Science & Business Media
Total Pages: 251
Release: 2012-12-06
Genre: Science
ISBN: 9400956886

This book is primarily intended for graduate chemists and chemical physicists. Indeed, it is based on a graduate course that I give in the Chemistry Depart ment of Southampton University. Nowadays undergraduate chemistry courses usually include an introduction to quantum mechanics with particular reference to molecular properties and there are a number of excellent textbooks aimed specifically at undergraduate chemists. In valence theory and molecular spectroscopy physical concepts are often encountered that are normally taken on trust. For example, electron spin and the anomalous magnetic moment of the electron are usually accepted as postulates, although they are well understood by physicists. In addition, the advent of new techniques has led to experimental situations that can only be accounted for adequately by relatively sophisticated physical theory. Relativis tic corrections to molecular orbital energies are needed to explain X-ray photo electron spectra, while the use oflasers can give rise to multiphoton transitions, which are not easy to understand using the classical theory of radiation. Of course, the relevant equations may be extracted from the literature, but, if the underlying physics is not understood, this is a practice that is at best dissatisfy ing and at worst dangerous. One instance where great care must be taken is in the use of spectroscopically determined parameters to test the accuracy of elec tronic wave functions.

Introduction to Quantum Mechanics

Introduction to Quantum Mechanics
Author: S.M. Blinder
Publisher: Academic Press
Total Pages: 436
Release: 2020-10-09
Genre: Science
ISBN: 0128223111

Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. - Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications - Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers - Presents additional problems and exercises to further support learning