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Quantum Chemistry and Computing for the Curious

You're reading from  Quantum Chemistry and Computing for the Curious

Product type Book
Published in May 2022
Publisher Packt
ISBN-13 9781803243900
Pages 354 pages
Edition 1st Edition
Languages
Authors (3):
Alex Khan Alex Khan
Profile icon Alex Khan
Keeper L. Sharkey Keeper L. Sharkey
Profile icon Keeper L. Sharkey
Alain Chancé Alain Chancé
Profile icon Alain Chancé
View More author details

Table of Contents (14) Chapters

Preface 1. Chapter 1: Introducing Quantum Concepts 2. Chapter 2: Postulates of Quantum Mechanics 3. Chapter 3: Quantum Circuit Model of Computation 4. Chapter 4: Molecular Hamiltonians 5. Chapter 5: Variational Quantum Eigensolver (VQE) Algorithm 6. Chapter 6: Beyond Born-Oppenheimer 7. Chapter 7: Conclusion 8. Chapter 8: References
9. Chapter 9:Glossary
10. Other Books You May Enjoy Appendix A: Readying Mathematical Concepts 1. Appendix B: Leveraging Jupyter Notebooks on the Cloud 2. Appendix C: Trademarks

1.1. Understanding the history of quantum chemistry and mechanics

Knowing the development of quantum chemistry during the early part of the 20th century is important in order to understand how the postulates of quantum mechanics were discovered. It will also help you grasp the major approximations that have enabled us to achieve scientific milestones. We will mention concepts that will be discussed and described in later chapters of the book, so don't be concerned if you don't understand what the ideas mean or imply. We want to simply start using the terminology of quantum concepts to give some context to the five postulates of quantum mechanics presented in the rest of the book.

Figure 1.2 – Robert J. Oppenheimer – Ed Westcott (U.S. Government photographer), Public domain, via Wikimedia Commons

Quantum mechanics has been a disruptive topic of conversation in the scientific community for just over a century. The most notable controversy...

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