Fundamentals of time-dependent density functional theory

Meer over het boek

Recent advances in time-dependent density functional theory (TDDFT) have significantly enhanced both its theoretical foundations and computational applications. This volume systematically compiles these developments, succeeding the previous successful edition. It begins with a comprehensive pedagogical presentation of the fundamental theory, clarifying original proofs and introducing new extensions, including alternative proofs of the Runge-Gross theorem, open quantum systems, and dispersion forces. The text sequentially builds complexity, addressing contemporary applications such as real-time coupled-electron-ion dynamics, excited-state dynamics, and molecular transport. Additionally, it reviews recent computational advancements, including massively parallel architectures and graphical processing units. Careful editing ensures coherence across contributions from multiple authors, making it a reference for both beginners and experts in the field. This resource is suitable for researchers and educators teaching advanced quantum mechanical methods to model complex systems, from molecules to nanostructures. Reviews highlight its structured organization, accessibility for novices and experienced users alike, and its pedagogical soundness, making it a valuable addition for anyone with a solid grounding in many-particle quantum mechanics.