Chemistry at the Frontier with Physics and Computer Science : Theory and Computation
Overview
Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution).
Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields.
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Details
- ISBN-13: 9780323908658
- ISBN-10: 0323908659
- Publisher: Elsevier
- Publish Date: May 2022
- Dimensions: 9 x 6 x 0.62 inches
- Shipping Weight: 0.88 pounds
- Page Count: 294
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