eBook - ePub
Chemistry at the Frontier with Physics and Computer Science
Theory and Computation
- 278 pages
- English
- ePUB (mobile friendly)
- Available on iOS & Android
eBook - ePub
About this book
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.
- Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives
- Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation
- Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
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Information
Topic
Physical SciencesSubtopic
Physical & Theoretical ChemistryTable of contents
- Title of Book
- Cover image
- Title page
- Table of Contents
- Copyright
- Dedication
- Biography
- Preface
- Chapter 1 Introduction and scope
- Part I: Physics and chemistry
- Part II: Nuclear dynamics and chemical reactions
- Part III: Electronic structure and chemical bonding
- Part IV: Chemistry and computer science
- Concluding remarks
- Bibliography
- Index
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Yes, you can access Chemistry at the Frontier with Physics and Computer Science by Sergio Rampino in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Physical & Theoretical Chemistry. We have over 1.5 million books available in our catalogue for you to explore.