Density-Functional Methods for Excited States
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- Artikel-Nr.: 10442376
Beschreibung
Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.
Eigenschaften
Breite: | 164 |
Höhe: | 243 |
Länge: | 28 |
Seiten: | 481 |
Sprachen: | Englisch |
Autor: | Michael Filatov, Miquel Huix-Rotllant, Nicolas Ferré |
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