The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based...

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...