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