Quantum Chemistry and Computing for the Curious: Illustrated with Python and Qiskit® code
English | 2022 | ISBN: 1803243902 | 574 Pages | True PDF EPUB | 28 MB
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.
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