Ideas of Quantum Chemistry


  • Lucjan Piela, Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland Email:

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.

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For chemistry undergraduates and graduates, professors, researchers and in particular those studying quantum chemistry - from beginners to professionals. Also beneficial to those involved in biology, biotechnology, physics, astronomy, material sciences.


Book information

  • Published: November 2013
  • Imprint: ELSEVIER
  • ISBN: 978-0-444-59436-5

Table of Contents

Introduction1. The Magic of Quantum Mechanics
2. The Schroedinger Equation
3. Beyond the Schroedinger Equation
4. Exact Solutions - our Beacons
5. Two Fundamental Approximate Methods
6. Separation of Electronic and Nuclear Motions
7. Motion of the Nuclei
8. Orbital Model of Electronic Motion in Atoms and Molecules
9. Orbital Model of Electronic Motion in Periodic Systems 
10. Correlation of the Electronic Motions
11. Chasing Correlation Dragon: Density Functional Theory (DFT) 
12. The Molecule Subject to Electric or Magnetic Fields
13. Intermolecular Interactions
14. Chemical Reactions 
15. Information Processing - Mission of Chemistry