β Scribed by P. Geerlings; F. De Proft; W. Langenaeker
No coin nor oath required. For personal study only.
For Abstract see ChemInform Abstract in Full Text.
π SIMILAR VOLUMES
We generalize hybrid density functional theory to finite temperatures. We find that the internal potential generated by the orbital functionals leads to complications in the statistical mechanics of the reference system and the self-consistent procedure to obtain the density.
Density functional theory for a single excited state is presented using Kato's theorem and the concept of adiabatic connection. The degenerate case is also detailed. The optimized potential method is generalized. The generalized Krieger, Li, and Ε½ . Iafrate KLI approximation is derived.
The density functional theory of superconductivity is extended to triplet superconductors and superfluid helium 3. We prove a HohenbergαKohn-type theorem for these systems and derive effective single-particle equations. The latter include exchange and correlations in a formally exact way and allow t