Bound and resonance states of the dipolar anion of hydrogen cyanide: competition between threshold effects and rotation in an open quantum system

Abstract : Bound and resonance states of the dipole-bound anion of hydrogen cyanide HCN- are studied using a non-adiabatic pseudopotential method and the Berggren expansion technique involving bound states, decaying resonant states, and non-resonant 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 non-adiabatic 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, electron's motion in a resonance state becomes largely decoupled from molecular rotation. Widths of resonance-band members depend primarily on the electron orbital angular momentum.
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http://hal.in2p3.fr/in2p3-01103165
Contributeur : Michel Lion <>
Soumis le : mercredi 14 janvier 2015 - 10:55:03
Dernière modification le : jeudi 1 février 2018 - 01:33:48

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  • HAL Id : in2p3-01103165, version 1
  • ARXIV : 1410.6660

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K. Fossez, N. Michel, W. Nazarewicz, M. Ploszajczak, Y. Jaganathen. Bound and resonance states of the dipolar anion of hydrogen cyanide: competition between threshold effects and rotation in an open quantum system. 2014. 〈in2p3-01103165〉

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