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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

3.4. Preparing a permutation symmetric or antisymmetric state

Given two qubits and , we want to build a symmetrized state that remains invariant under a permutation of the qubits and , or an antisymmetrized state that is multiplied by under a permutation of the qubits and . In this section, we show how to prepare such states in a probabilistic manner with a quantum circuit prepared and simulated with Qiskit:

  • Section 3.4.1, Creating random states
  • Section 3.4.2, Creating a quantum circuit and initializing qubits
  • Section 3.4.3, Creating a circuit that swaps two qubits with a controlled swap gate
  • Section 3.4.4, Post selecting the control qubit until the desired state is obtained
  • Section 3.4.5, Examples of final symmetrized and antisymmetrized states

3.4.1. Creating random states

We define a function called init_random() that creates random 1-qubit states s1 and s2 that we will use later to run experiments with random states:

def init_random...
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