Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations / Edition 1

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Overview

This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods. The use of electronic structure computations is a timely subject as its applications in both theoretical and experimental chemical research is increasingly prevalent.
This text is written in a format that fosters mastery of the subject both in competency in the mathematics and in obtaining a conceptual understanding of quantum mechanics. The chemistry student's interest is maintained early on in the text where quantum mechanics is developed by applying it to molecular spectroscopy and through conceptual questions labeled as Chemical Connection. Questions throughout the text labeled as Chemical Connection and Points of Further Understanding focus on conceptual understanding and consequences of quantum mechanics. If an Instructor chooses, these questions can be used as a basis for classroom discussion encouraging cooperative learning techniques.
This text provides a solid foundation from which students can readily build further knowledge of quantum chemistry in more advanced courses. In cases where this is a final course in quantum chemistry, this text provides the student not only with an appreciation of the importance of quantum mechanics to chemistry, but also with a practical guide to using electronic structure computations.

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Editorial Reviews

Booknews
This textbook for undergraduate chemistry majors introduces the principles and formulations of quantum mechanics in chemistry, and their application to vibrational and rotational spectroscopy of diatomic and polyatomic molecules. The last chapter presents three methods for performing electronic structure computations of molecules: ab initio, semi-empirical, and density functional. Annotation c. Book News, Inc., Portland, OR (booknews.com)
From the Publisher
'The textbook provides an excellent approach to teaching students about quantum mechanics with a chemical emphasis. Both the concepts and mathematics of elementary quantum mechanics are presented at an appropriate level for upper division undergraduates and first year graduate students. The combination of this introductory material with an in depth discussion of spectroscopy and electronic structure methods is particularly appropriate for chemistry majors and chemistry graduate students, for whom the application of such material is likely to be important in a future career in chemistry. The text is clear and well written, and the problems and examples are instructive and succeed in bringing in chemical systems right from the beginning.'
R. Friesner, Professor of Chemistry
'Several unique features set this textbook apart from its congeners. The text is very comprehensive, covering subjects that range from elements of molecular spectroscopy to modern electronic structure calculations, yet concise enough to be suitable for a one-semester series of lectures. The material is presented in a modular fashion, facilitating both instruction and learning. Emphasizing the connections between basic theory and practical applications, this book is equally appropriate for introductory and terminal undergraduate courses. I strongly recommend it.'
J. Cioslowski, Professor of Chemistry
'I would recommend this book as a good companion for most basic undergraduate courses in both quantum chemistry and molecular spectroscopy.'
Chemistry in Britain, September 2001
' Quantum Chemistry with Molecular Spectroscopy and Electronic Structure Computations is an excellent introduction to the discipline for advanced undergraduate students. True to its title, it emphasizes computational methods early in the text, with variation and perturbation methods being introduced in Chapter 4. The text is very clear and readable, but the book is complete enough to serve as a good reference. The end-of-chapter problems are challenging without being impossible, and are excellent for the undergraduate student audience. Difficult subjects, such as group theory, appropriate for a graduate course are omitted altogether. This is an excellent text for a senior-level course in quantum chemistry.'
Daniel Jelski, Professor of Chemistry, Rose-Hulman Institute of Technology
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Product Details

  • ISBN-13: 9780306465963
  • Publisher: Springer US
  • Publication date: 9/27/2007
  • Edition description: 2001
  • Edition number: 1
  • Pages: 265
  • Product dimensions: 9.21 (w) x 6.14 (h) x 0.69 (d)

Table of Contents

Acknowledgements. Foreword. Preface. 1. Classical Mechanics. 2. Fundamentals of Quantum Mechanics. 3. Rotational Motion. 4. Techniques of Approximation. 5. Particles Encountering a Finite Potential Energy. 6. Vibrational/Rotational Spectroscopy of Diatomic Molecules. 7. Vibrational and Rotational Spectroscopy of Polyatomic Molecules. 8. Atomic Structure and Spectra. 9. Methods of Molecular Electronic Structure Computations. Appendices. Index.

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