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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

References

[Adamowicz_1] Sergiy Bubin, Michele Pavanello, Wei-Cheng Tung, Keeper L. Sharkey, and Ludwik Adamowicz, Born–Oppenheimer and Non-Born–Oppenheimer, Atomic and Molecular Calculations with Explicitly Correlated Gaussians, Chem. Rev. 2013, 113, 1, 36–79, October 1, 2012, https://doi.org/10.1021/cr200419d

[Adamowicz_2] Sergiy Bubin and Ludwik Adamowicz, Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born–Oppenheimer approximation using all-particle complex explicitly correlated Gaussian functions, J. Chem. Phys. 152, 204102 (2020), https://doi.org/10.1063/1.5144268

[Adamowicz_4] Jim Mitroy, Sergiy Bubin, Wataru Horiuchi, Yasuyuki Suzuki, Ludwik Adamowicz, Wojciech Cencek, Krzysztof Szalewicz, Jacek Komasa, D. Blume, and Kálmán Varga, Rev. Mod. Phys. 85, 693 – Published 6 May 2013, Theory and application of explicitly correlated Gaussians,...

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