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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. Which of the following terms is neglected in the BO approximation?
    1. Electronic kinetic energy operator.
    2. Nuclear kinetic energy operator.
    3. Potential energy between the electrons and nuclei. It is the sum of all electron-nucleus Coulomb interactions.
    4. Potential energy operator arising from electron-electron Coulomb repulsions.
    5. Potential nuclear-nuclear repulsion energy operator, the sum of all nucleus-nucleus Coulomb repulsions.
  2. The Slater determinant wave function is antisymmetric with respect to:
    1. The exchange of two electrons (permutation of two rows)
    2. The exchange of two spin orbitals (permutation of two columns)
    3. Both of the above
  3. Name three fermion to qubit transformations currently supported by Qiskit Nature.
  4. Name two fermion to qubit transformations that simulate a system of electrons with the same number of qubits as electrons.
  5. For which...
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