| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384723 | Chemical Physics Letters | 2011 | 4 Pages |
Abstract
âºHybrid DFT for solids. ⺠Mixing parameters from ab initio data for clusters. ⺠Application to Li, Cu metals. ⺠Reliable results for cohesive energies, lattice constants, bulk moduli. ⺠Substantial contribution of 3d shell in the case of Cu.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hermann Stoll, Klaus Doll,