Robb M. Theoretical Chemistry for Electronic Excited States 2018

Textbook in PDF format

Chemists have long been enthused by the elusive goal of being able to ‘‘steer’’ chemical reactions to a predicted conclusion. That goal seems nearer now using electronic control via excited state chemistry. However, to effect real progress, experimentalists and theorists need to work in tighter knit harmony than has been conventionally the case. Excited state theoretical chemistry is becoming an essential partner in experimental investigations, not only for the interpretation of the results but also to suggest new experiments. Indeed theory may soon reach the point where we can simulate experiment. The target audience of this book is theorists and experimentalists who may want to work together in this ambitious and sometimes challenging way.
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