This book provides non-specialists with a basic understanding of the 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 use spectroscopic measurements and electronic structure computations in their work. This book is designed to help the novice user of these tools achieve a basic understanding of the underlying concepts of quantum chemistry. The emphasis is on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundational text. This new edition features extensive changes to increase clarity and to accommodate new material, including additional problems. a comprehensive list of resources and an introduction to computational quantum chemistry, while preserving the book’s concise and accessible nature.
Key Features
- Updated and extended new edition
- Accessible and concise introduction
- Includes new additional problems with hints and solutions
- Features an introduction to computational quantum chemistry,
- Includes lists of print and online resources to support teaching
Зміст
A note to the student
Preface
Acknowledgements
Author biography
1 Molecular symmetry
2 Basic quantum mechanics
3 Translation and vibration
4 Symmetry and degeneracy
5 Rotational motion
6 Electronic motion: the hydrogen atom
7 A molecular prototype: the hydrogen molecular-ion
8 A mean field model for many-electron systems
9 The Hückel model
10 Handling electron correlation
11 Computational quantum chemistry
A Systems with time-independent potentials
B Perturbation theory
C Solving matrix Hartree–Fock equations
D Reference material
E Problem hints and solutions
F Resources for study and exploration