Dispersion forces in a four-component density functional theory framework
The main purpose of this thesis is to implement the Gauss--Legendre quadrature for the dispersion coefficient. This has been done and can be now be made with different number of points. The calculations with this implementation has shown that the relativistic impact on helium, neon, argon and krypto...
| Main Author: | |
|---|---|
| Format: | Others |
| Language: | English |
| Published: |
Linköpings universitet, Institutionen för fysik, kemi och biologi
2009
|
| Subjects: | |
| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-18487 |