-
Book Overview & Buying
-
Table Of Contents
Quantum Chemistry and Computing for the Curious
By :
Quantum Chemistry and Computing for the Curious
By:
Overview of this book
Explore quantum chemical concepts and the postulates of quantum mechanics in a modern fashion, with the intent to see how chemistry and computing intertwine. Along the way you’ll relate these concepts to quantum information theory and computation. We build a framework of computational tools that lead you through traditional computational methods and straight to the forefront of exciting opportunities. These opportunities will rely on achieving next-generation accuracy by going further than the standard approximations such as beyond Born-Oppenheimer calculations.
Discover how leveraging quantum chemistry and computing is a key enabler for overcoming major challenges in the broader chemical industry. The skills that you will learn can be utilized to solve new-age business needs that specifically hinge on quantum chemistry
Table of Contents (14 chapters)
Preface
Chapter 1: Introducing Quantum Concepts
Free Chapter
Chapter 2: Postulates of Quantum Mechanics
Chapter 3: Quantum Circuit Model of Computation
Chapter 4: Molecular Hamiltonians
Chapter 5: Variational Quantum Eigensolver (VQE) Algorithm
Chapter 6: Beyond Born-Oppenheimer
Chapter 7: Conclusion
Chapter 8: References
Chapter 9:Glossary
Other Books You May Enjoy
Appendix A: Readying Mathematical Concepts
Appendix B: Leveraging Jupyter Notebooks on the Cloud
Appendix C: Trademarks
, 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...
