Density-functional theory of the superconducting state

0020-7608

Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Wiley InterScience Backfile Collection 1832-2000

Chemistry and Pharmacology

A density-functional theory describing the superconducting state of matter is presented. The formalism leads to a set of single-particle equations that are structurally similar to the Bogoliubov-de Gennes equations but (in contrast to the latter) incorporate both normal and superconducting exchange-correlation effects. It is demonstrated via a rigorous decoupling scheme that these single-particle equations are equivalent to a set of normal Kohn-Sham equations, and a BCS-type gap equation to be solved self-consistently with the Kohn-Sham equations.

Electronic Resource