Intermolecular interactions at the MP2 level for the nitrogen dimer are reported. The results are compared with density functional calculations, showing the limits of the approximation adopted for the exchange and correlation functional. Preliminary results of ab initio molecular dynamics on solid nitrogen are reported.
|Number of pages||5|
|Publication status||Published - Oct 20 1998|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics