Limited Offer
Save 50% on book bundles
Immediately download your ebook while waiting for your print delivery. No promo code needed.
![Book bundle cover eBook and print](https://images.ctfassets.net/ahaoy9whsr8a/3hh8459sY2nXIBbSiKJFQm/ed36678e72516d39f8a78ab741be67ec/book-promo-banner3.png?fm=webp&w=400&q=75)
Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effective… Read more
Limited Offer
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.
SR