Computational Physics and NSC arranges
Seminars on
Theory and computation of NMR and ESR parameters
When: Monday 1 December 1997
Where: Lecture Hall Planck, Physics building, Linköping university.
8.30 |
Kenneth Ruud, Computational Physics, Linköping Basic principles of current state-of-the-art ab-initio calculations of nuclear magnetic shielding constants |
9.30 |
Juha Vaara, Computational Physics, Linköping Computational studies on the NMR parameters of molecular probes in liquids and solids |
10.15 |
Coffee |
11.30 |
Boris Minaev, Computational Physics, Linköping. Connections between ESR, NMR, NQR and UV spectra of molecules in the framework of perturbation theory |
12.15 |
Lunch |
14.00 |
Kenneth Ruud, Computational Physics, Linköping An introduction to ab-initio calculations of hyperfine interactions |
14.30 |
Juha Vaara, Computational Physics, Linköping Spin-orbit contributions to NMR/ESR spectral parameters |
15.30 |
Olav Vahtras, Computational Physics, Linköping Spin polarization and spin restricted wave functions |
16.00 |
End |
Very Welcome!
Hans Ågren, IFM
Pontus Matstoms, NSC