Quantum Chemistry and Spectroscopy

Author: Thomas Engel

Publisher: Prentice Hall

ISBN: 9780321823991

Category: Science

Page: 528

View: 1339

ALERT: Before you purchase, check with your instructor or review your course syllabus to ensure that you select the correct ISBN. Several versions of Pearson's MyLab & Mastering products exist for each title, including customized versions for individual schools, and registrations are not transferable. In addition, you may need a CourseID, provided by your instructor, to register for and use Pearson's MyLab & Mastering products. Packages Access codes for Pearson's MyLab & Mastering products may not be included when purchasing or renting from companies other than Pearson; check with the seller before completing your purchase. Used or rental books If you rent or purchase a used book with an access code, the access code may have been redeemed previously and you may have to purchase a new access code. Access codes Access codes that are purchased from sellers other than Pearson carry a higher risk of being either the wrong ISBN or a previously redeemed code. Check with the seller prior to purchase. -- Engel and Reid's Quantum Chemistry & Spectroscopy with MasteringChemistry gives students a contemporary and accurate overview of physical chemistry while focusing on basic principles that unite the sub-disciplines of the field. The Third Edition continues to emphasize fundamental concepts and presents cutting-edge research developments that demonstrate the vibrancy of physical chemistry today. MasteringChemistry® for Physical Chemistry - a comprehensive online homework and tutorial system specific to Physical Chemistry - is available for the first time with Engel and Reid to reinforce students' understanding of complex theory and to build problem-solving skills throughout the course.

Quantum Mechanics for Chemists

Author: David O. Hayward

Publisher: Royal Society of Chemistry

ISBN: 9780854046072

Category: Education

Page: 184

View: 7915

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

Ideas of Quantum Chemistry

Author: Lucjan Piela

Publisher: Elsevier

ISBN: 0444594574

Category: Science

Page: 1078

View: 3501

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among 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 digestible 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. An appendix on the Internet supplements this book. 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

Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Author: Errol G. Lewars

Publisher: Springer

ISBN: 3319309161

Category: Science

Page: 728

View: 7125

This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory and assuming no prior knowledge of computational chemistry, it covers the essential aspects of the subject. There are several introductory textbooks on computational chemistry; this one is (as in its previous editions) a unique textbook in the field with copious exercises (and questions) and solutions with discussions. Noteworthy is the fact that it is the only book at the introductory level that shows in detail yet clearly how matrices are used in one important aspect of computational chemistry. It also serves as an essential guide for researchers, and as a reference book. div“/div>

Quantum Mechanics in Chemistry

Author: George C. Schatz,Mark A. Ratner

Publisher: Courier Corporation

ISBN: 0486136728

Category: Science

Page: 384

View: 3870

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.

Modern Quantum Chemistry

Introduction to Advanced Electronic Structure Theory

Author: Attila Szabo,Neil S. Ostlund

Publisher: Courier Corporation

ISBN: 0486134598

Category: Science

Page: 480

View: 1465

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.

Quantum Chemistry

Author: Donald Allan McQuarrie

Publisher: University Science Books

ISBN: 9781891389504

Category: Science

Page: 690

View: 3427

One of the best-selling Quantum Chemistry textbooks in the US.

Quantum Chemistry

A Unified Approach Second Edition

Author: David B Cook

Publisher: World Scientific Publishing Company

ISBN: 1911299581

Category: Science

Page: 332

View: 5146

This book is a presentation of a qualitative theory of chemical bonding, stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to “rationalise” the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, inorganic, and physical chemistry. Each chapter has an Assignment Section containing “problems” which might be usefully attempted to improve the understanding of the new material in that chapter. The new edition has had several appendices added which give support to concepts which, if included in the main text, would have hindered the main thrust of the presentation. These new appendices are an attempt to clarify oversights and errors which have been tacitly ignored and which have now become part of the conventional wisdom.

Essentials of Computational Chemistry

Theories and Models

Author: Christopher J. Cramer

Publisher: John Wiley & Sons

ISBN: 1118712277

Category: Science

Page: 624

View: 6836

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Quantum Chemistry

Author: Ira N. Levine

Publisher: Pearson Higher Ed

ISBN: 0321918185

Category: Science

Page: 768

View: 6109

This is the eBook of the printed book and may not include any media, website access codes, or print supplements that may come packaged with the bound book. Known for its solid presentation of mathematics, this bestseller is a rigorous but accessible introduction to both quantum chemistry and the math needed to master it. Quantum Chemistry, Seventh Edition covers quantum mechanics, atomic structure, and molecular electronic structure, and provides a thorough, unintimidating treatment of operators, differential equations, simultaneous linear equations, and other areas of required math. Practical for readers in all branches of chemistry, the new edition reflects the latest quantum chemistry research and methods of computational chemistry, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.

Introduction to Computational Chemistry

Author: Frank Jensen

Publisher: John Wiley & Sons

ISBN: 1118825950

Category: Science

Page: 664

View: 7126

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

Quantum Chemistry

Author: John P. Lowe

Publisher: Elsevier

ISBN: 0080515541

Category: Science

Page: 711

View: 3955

Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included. Assumes little mathematical or physical sophistication Emphasizes understanding of the techniques and results of quantum chemistry Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration Provides a new chapter on molecular orbital theory of periodic systems Features new exercise sets with solutions Includes a helpful new appendix that compiles angular momentum rules from operator algebra

Intermediate Quantum Mechanics

Third Edition

Author: Roman Jackiw

Publisher: CRC Press

ISBN: 0429962193

Category: Science

Page: 416

View: 8554

Graduate students in both theoretical and experimental physics will find this third edition of Intermediate Quantum Mechanics , refined and updated in 1986, indispensable. The first part of the book deals with the theory of atomic structure, while the second and third parts deal with the relativistic wave equations and introduction to field theory, making Intermediate Quantum Mechanics more complete than any other single-volume work on the subject.

What is Quantum Mechanics?

A Physics Adventure

Author: Transnational College of LEX.

Publisher: Wiley-Blackwell


Category: Science

Page: 566

View: 8886

Principles of Quantum Mechanics

As Applied to Chemistry and Chemical Physics

Author: Donald D. Fitts

Publisher: Cambridge University Press

ISBN: 9780521651240

Category: Science

Page: 351

View: 9651

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.

Principles and Applications of Quantum Chemistry

Author: V.P. Gupta

Publisher: Academic Press

ISBN: 0128035013

Category: Science

Page: 478

View: 1911

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

Computational Quantum Chemistry

An Interactive Introduction to Basis Set Theory

Author: Charles M. Quinn

Publisher: Elsevier

ISBN: 9780080488530

Category: Science

Page: 237

View: 9779

Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because of the integration of theory with working examples on the CD-ROM, the reader can apply advanced features available in the spreadsheet to other applications in chemistry, physics, and a variety of disciplines that require the solution of differential equations. This book and CD-ROM makes a valuable companion for instructors, course designers, and students. It is suitable for direct applications in practical courses in theoretical chemistry and atomic physics, as well as for teaching advanced features of Excel in IT courses.

Fundamentals of Quantum Chemistry

Author: J. E. House

Publisher: Academic Press

ISBN: 9780123567710

Category: Science

Page: 291

View: 2948

This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).

Elementary Quantum Chemistry

Author: Frank L. Pilar

Publisher: Courier Corporation

ISBN: 9780486414645

Category: Science

Page: 599

View: 1940

Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.

Non-covalent Interactions in Quantum Chemistry and Physics

Theory and Applications

Author: Alberto Otero de la Roza,Gino A. DiLabio

Publisher: Elsevier

ISBN: 0128098368

Category: Science

Page: 476

View: 2577

Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications. The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques. Summarizes the state-of-the-art in the computational intermolecular interactions field in a comprehensive work Introduces students and researchers from related fields to the topic of computational non-covalent interactions, providing a single unified source of information Presents the theoretical foundations of current quantum mechanical methods alongside a collection of examples on how they can be applied to solve practical problems