Theoretical chemistry, quantum chemistry
- Quantum chemistry, electron correlation, many-body theory, coupled cluster theory
- Molecular properties, analytic derivative techniques, NMR chemical shifts, magnetic properties, molecules in strong magnetic fields
- Response theory, equation-of-motion-CC ansatz, excitation energies and spectra
- Relativistic quantum chemical methods, relativistic effects on molecular properties
- Interplay of theory and experiment in the case of NMR and rotational spectroscopy, detection of new molecules, hyperfine interactions, interstellar chemistry
- Molecular dynamics simulations of systems with external forces, investigation of folding processes
Moleküle im Computer-Labor - Quantenchemie im Forschungsmagazin der Universität Mainz