Berichte aus Arbeitskreisen der DGK

Nr. 10 (2000)

Preis: Euro 6,00

Titel:

„CECAM/ESF-Workshop: Future developments in the study of structure-property relations by computational crystallography and experiments“

(Lyon, October 2000)

K. Knorr and B. Winkler (Herausgeber – editor)

Inhalt – Table of contents:

1. Inelastic neutron scattering at high pressure M. Braden
2. First principles lattice dynamics S. de Gironcoli
3. All-electron calculation of the optical properties of crystals E.E. Krasovskii
4. Optical and infrared absorption spectroscopy of minerals M. Andrut
5. New non-linear optical materials P. Becker
6. Ab initio calculation of core-level spectroscopies C. Pickard
7. Interpretation of structure and dynamics from NMR I. Farnan
8. Ab-initio calculation of NMR chemical shifts in solids F. Mauri
9. Structural studies at high pressures M. Hanfland
10. Theoretical studies under high pressure V. Milman
11. Periodic LCAO calculations of crystal properties M. Catti
12. Towards ab initio modelling of industrial crystallisation J. Gale
13. All electron pseudopotentials M. Hytha
14. Inelastic tunneling spectroscopy N. Lorente
15. Elastic properties of crystals J. Schreuer
16. Reconstruction and modelling of density distributions K. Knorr
17. Structure refinement in Ti dichalcogenides A. Postnikov
18. The topology of crystal structures G. Thimm
19. Thermodynamics of disorder in minerals M. Warren