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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

1.3. Quantum numbers and quantization of matter

Quantization is the concept that matter, particles, and other physical quantities, such as charge, energy, and magnetic spin, can have only certain countable values. These certain countable values can be either discrete or continuous variables. Discrete values are defined as countable in a finite amount of time. Continuous values are defined as countable in an infinite amount of time. Whether or not a quantum system is discrete or continuous depends on the physical system or the observable quantity.

We will discuss the particles that are most associated with quantum chemistry: protons, neutrons, electrons, and hydrogen atoms. The neutrons and protons comprise the nucleus of atoms and are held together by the strong nuclear force, and they do not have a measurable angular momentum quantum number within the nucleus. In contrast, free protons and neutrons not bound within a nucleus can be in motion and then possess an angular momentum...

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