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This book presents the most recent method developments in the field of excited states, both from the quantum chemical point of view and from the time-dependent side, allowing the simulation of excited state dynamics. The book is organized in two parts: part 1 covers methods for stationary calculations and part 2 is devoted to their time-dependent evolution. Each chapter describes the method, recent developments, and a number of representative applications. This book will cover a gap in the market of theoretical and computational chemistry and will serve as a reference for researchers or students entering the field of excited states and with basic knowledge on quantum chemistry, as well professionals looking for a general overview of the latest developments in this field.
|Publication date:||9th July 2020|
|Author:||Leticia Gonzalez, Roland Lindh|
|Publisher:||Wiley-Blackwell an imprint of John Wiley and Sons Ltd|
|Categories:||Quantum & theoretical chemistry,|
Professor Leticia Gonzalez teaches at the Department of Chemistry at the University of Vienna, Austria. She is a theoretical chemist world-known for her work on molecular excited states and ultrafast dynamics simulations. Besides publishing over 250 papers and several reviews on excited states and dynamics, she has developed the SHARC program package to simulate non-adiabatic dynamics. Professor Roland Lindh is a member of the editorial board of International Journal of Quantum Chemistry and the MOLCAS quantum chemistry program project. He co-authored Multiconfigurational Quantum Chemistry and is an expert on method development for multiconfigurational wave function theory. He currently teaches at Uppsala ...More About Leticia Gonzalez, Roland Lindh