Resonance Lifetimes from Complex Densities

Abstract

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 illustrate this with one-electron examples and show 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.

References in corpus (3)

• Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems
• Autoionizing Resonances in Time-Dependent Density Functional Theory
• Self-consistent approach for the quantum confined Stark effect in shallow quantum wells

Cited by in corpus (7)

• Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
• Density Functional Resonance Theory of Unbound Electronic Systems
• Energy-dependent resonance broadening in symmetric and asymmetric molecular junctions from an ab initio non-equilibrium Green's function approach
• $Abinitio$ molecular dynamics of temporary anions using complex absorbing potentials
• Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory
• Excited-State-Specific Kohn-Sham Formalism for the Asymmetric Hubbard Dimer
• Density Functional Resonance Theory: complex density functions, convergence, orbital energies, and functionals