1. Density Functional Resonance Theory of Metastable Negative Ions
Adam Wasserman
Department of Chemistry – Purdue University
The ab-initio calculation of resonance lifetimes of metastable anions challenges modern quantum-chemical methods. The exact lifetime of the lowest-energy resonance is encoded into a complex “density” that can be obtained via complex-coordinate scaling. We have illustrated this with one-electron examples and shown how the lifetime can be extracted from the complex density in much the same way as the ground-state energy of bound systems is extracted from its ground-state density (see D.L. Whitenack and A. Wasserman, J. Phys. Chem. Lett. 1, 407 (2010)).