Excited states in density functional theory

摘要

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 Iafrate (KLI) approximation is derived. (C) 1998 John Wiley & Sons, Inc. [References: 52]