2014/10/24 by K. Fossez, N. Michel, W. Nazarewicz +2
Chemistry · Physics and Astronomy · #Adiabatic process #Advanced Chemical Physics Studies #Angular momentum #Atomic physics #Bound state #Chemistry #Dipole #Electron #Molecular Spectroscopy and Structure #Molecular physics #Physics #Quantum mechanics #Resonance (particle physics) #Shape resonance #Spectroscopy and Quantum Chemical Studies #nucl-th #physics.atm-clus
paper · pdf · doi:10.1103/physreva.91.012503
published as Phys. Rev. A 91, 012503 (2015) · 11 pages, 13 figures
arxiv created 2014/10/24 · openalex publication_date 2015/01/12 · arxiv updated 2016/06/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Bound and resonance states of the dipole-bound anion of hydrogen cyanide HCN^\ensuremath- are studied using a nonadiabatic pseudopotential method and the Berggren expansion technique involving bound states, decaying resonant states, and nonresonant scattering continuum. We devise an algorithm to identify the resonant states in the complex energy plane. To characterize spatial distributions of electronic wave functions, we introduce the body-fixed density and use it to assign families of resonant states into collective rotational bands. We find that the nonadiabatic coupling of electronic motion to molecular rotation results in a transition from the strong-coupling to weak-coupling regime. In the strong-coupling limit, the electron moving in a subthreshold, spatially extended halo state follows the rotational motion of the molecule. Above the ionization threshold, the electron's motion in a resonance state becomes largely decoupled from molecular rotation. The widths of resonance-band members depend primarily on the electron orbital angular momentum.