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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

1.6. Complexity theory insights

Complexity theory has two important facets: one is regarding the PEP and the use of the BO approximation, to which we dedicate part of Chapter 2, Postulates of Quantum Mechanics; and two is the complexity of computation. This section describes the complexity of computation as it relates to quantum systems.

In his keynote lecture at the Physics of Computation Conference at MIT in 1981 [MIT_QC_1981], Richard Feynman asked the question: "Can a classical computer simulate either a classical system or a quantum system exactly?" He also stated that the number of computer elements required to simulate a large physical system should only be proportional to the size of the physical system. Feynman pointed out that calculating the probability of each of particles of a large quantum system being at each of points require an amount of memory proportional to , that is, increasing exponentially with . His next question was whether a classical system...

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