Correlation energy of diamond
Abstract
The correlation energy of diamond is determined by means of increments obtained in ab initio calculations for localized C-C bond orbitals and for pairs and triples of such bonds. The resulting correlation contribution to the cohesive energy is -0.129 a.u., which is approximately 85% of the experimental value.
- Publication:
-
Physical Review B
- Pub Date:
- September 1992
- DOI:
- 10.1103/PhysRevB.46.6700
- Bibcode:
- 1992PhRvB..46.6700S
- Keywords:
-
- 71.45.Gm;
- 71.45.Nt;
- 31.20.Tz;
- 36.40.+d;
- Exchange correlation dielectric and magnetic response functions plasmons