| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386966 | Chemical Physics Letters | 2009 | 5 Pages |
Abstract
The Crystal and Cryscor codes (which solve the HFÂ +Â MP2 equations for periodic systems) have been applied to fcc rare-gas crystals Ne through Xe, the figure reports the cohesive energy versus lattice parameter, both scaled with respect to the experimental value, obtained with the best basis set. Open and filled symbols refer to two techniques for correcting MP2 energies for BSSE.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Migen Halo, Silvia Casassa, Lorenzo Maschio, Cesare Pisani,