Excited-State Electronic-Structure Methods
[1 SWS; Prof. Dr. J. Neugebauer]
Introduction:
- Photoinitiated Processes
- General Strategies to Calculate Excited States
Electronic-Structure Methods for Excited States:
- Delta-SCF methods
- Configuration-Interaction
- Time-Dependent Hartree-Fock and Time-Dependent Density-Functional Theory
- Tamm-Dancoff Approximation and relation to CIS
- Algebraic Diagrammatic Construction
- Linear-response/Equation-of-motion Coupled Cluster
Further aspects:
- Simulation of UV/Vis-Absorption, Emission, ECD spectra
- Exploration of Excited-State PES
- Excited-State Dynamics
- Lehrende/r: Johannes Neugebauer
Semester: WT 2023/24