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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

Notations used

We will be using the following notations wherever it is appropriate:

  • , and so on – Lowercase Greek letters for scalars.
  • , and so on – Lowercase Latin letters for column vectors in particle space. These vectors have n components denoted , and so on where k is an integer.
  • , and so on – Uppercase Latin letters for matrices in particle space. These are n X n matrices.
  • , and so on – The prime symbol (') and the letter stand for vector and matrix transpose.
  • , and so on – The asterisk symbol (*) is used for vector and matrix complex conjugate.
  • , , and so on – The dagger symbol, , is used for vector and matrix complex conjugate transpose.
  • , and so on – A power to the negative one represents the inverse of a matrix.
  • , and so on – The o-times symbol represents the Kronecker product or tensor product of matrices and/or vectors.
  • , and so on. – The symbol represents the...
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