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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

Questions

Please test your understanding of the concepts presented in this chapter with the corresponding Google Colab notebook.

  1. What is the primary elementary fermionic particle associated with quantum chemistry?
  2. What value of (angular momentum quantum number) corresponds to a orbital?
  3. What is the value of the spin quantum number for an electron?
  4. Fermions obey the PEP, which means that the paired particle permutation of the wave function must be antisymmetric. What is the sign for antisymmetry?
  5. What is the energy of a photon whose wavelength is 486.1 nanometers?

In the International System of Units (SI):

6.62607015×10-34 J x Hz-1 is the Planck constant

299,792,458 (ms-1) is the speed of light

Hint: Look at the blue line in the visible spectrum of the hydrogen atom. You also need to convert from meters to nanometers.

  1. To which series of hydrogen atoms does the wavelength in the previous question, 486.1 nanometers, correspond...
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