title: Density functional resonance theory of unbound electronic systems.
abstract: Density functional resonance theory (DFRT) is a complex-scaled version of ground-state density functional theory (DFT) that allows one to calculate the in-principle exact resonance energies and lifetimes of metastable anions. In this formalism, the energy and lifetime of the lowest-energy resonance of unbound systems is encoded into a complex "density" that can be obtained via complex-coordinate scaling. This complex density is used as the primary variable in a DFRT calculation, just as the ground-state density would be used as the primary variable in DFT. As in DFT, there exists a mapping of the N-electron interacting system to a Kohn-Sham system of N noninteracting particles. This mapping facilitates self-consistent calculations with an initial guess for the complex density, as illustrated with an exactly solvable model system.
authors: Department of Physics, Purdue University, West Lafayette, Indiana 47907, USA. dwhitena@purdue.edu
authors: Daniel L
authors: DL
authors: Whitenack
authors: Adam
authors: A
authors: Wasserman