Michael A Robb

Theoretical Chemistry for Electronic Excited States (eBook, PDF)

• Format: PDF

Produktbeschreibung

Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments.

This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.

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Produktdetails

• Verlag: Royal Society of Chemistry
• Seitenzahl: 226
• Erscheinungstermin: 2. März 2018
• Englisch
• ISBN-13: 9781788013642
• Artikelnr.: 70074317

Inhaltsangabe

Introduction and Motivation
Conceptual Development Centred on the Shapes and Topological Features of Potential Surfaces
Electronic Structure Methods for the Computation of Electronic States
The Dynamics of Nuclear Motion
Applications and Case Studies in Nonadiabatic Chemistry
Conclusion and Future Developments