Bound and resonance states of the dipolar anion of hydrogen cyanide: Competition between threshold effects and rotation in an open quantum system
Abstract
In this paper, bound and resonance states of the dipole-bound anion of hydrogen cyanide HCN– 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. Finally, the widths of resonance-band members depend primarily on the electron orbital angular momentum.
- Authors:
-
- Grand Accelerateur National d'Ions Lourds (Large Heavy Ion National Accelerator) (GANIL), Caen (France). National Center for Scientific Research (CNRS). Alternative Energies and Atomic Energy Commission (CEA)
- Michigan State Univ., East Lansing, MI (United States). Dept. of Physics and Astronomy. NSCL/FRIB Lab.; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Physics Division; Univ. of Warsaw (Poland). Inst. of Theoretical Physics
- Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Michigan State Univ., East Lansing, MI (United States). NSCL/FRIB Lab.
- Publication Date:
- Research Org.:
- Michigan State Univ., East Lansing, MI (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Grand Accelerateur National d'Ions Lourds (Large Heavy Ion National Accelerator) (GANIL), Caen (France)
- Sponsoring Org.:
- USDOE Office of Science (SC), Nuclear Physics (NP); French-U.S. Theory Inst. for Physics with Exotic Nuclei (FUSTIPEN) (United States)
- Contributing Org.:
- Univ. of Warsaw (Poland); Univ. of Tennessee, Knoxville, TN (United States)
- OSTI Identifier:
- 1337827
- Alternate Identifier(s):
- OSTI ID: 1181360
- Grant/Contract Number:
- FG02-10ER41700; FG02-96ER40963; DEFG02-96ER40963
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review A - Atomic, Molecular, and Optical Physics
- Additional Journal Information:
- Journal Volume: 91; Journal Issue: 1; Journal ID: ISSN 1050-2947
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Fossez, K., Michel, N., Nazarewicz, W., Płoszajczak, M., and Jaganathen, Y. Bound and resonance states of the dipolar anion of hydrogen cyanide: Competition between threshold effects and rotation in an open quantum system. United States: N. p., 2015.
Web. doi:10.1103/PhysRevA.91.012503.
Fossez, K., Michel, N., Nazarewicz, W., Płoszajczak, M., & Jaganathen, Y. Bound and resonance states of the dipolar anion of hydrogen cyanide: Competition between threshold effects and rotation in an open quantum system. United States. https://doi.org/10.1103/PhysRevA.91.012503
Fossez, K., Michel, N., Nazarewicz, W., Płoszajczak, M., and Jaganathen, Y. Mon .
"Bound and resonance states of the dipolar anion of hydrogen cyanide: Competition between threshold effects and rotation in an open quantum system". United States. https://doi.org/10.1103/PhysRevA.91.012503. https://www.osti.gov/servlets/purl/1337827.
@article{osti_1337827,
title = {Bound and resonance states of the dipolar anion of hydrogen cyanide: Competition between threshold effects and rotation in an open quantum system},
author = {Fossez, K. and Michel, N. and Nazarewicz, W. and Płoszajczak, M. and Jaganathen, Y.},
abstractNote = {In this paper, bound and resonance states of the dipole-bound anion of hydrogen cyanide HCN– 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. Finally, the widths of resonance-band members depend primarily on the electron orbital angular momentum.},
doi = {10.1103/PhysRevA.91.012503},
journal = {Physical Review A - Atomic, Molecular, and Optical Physics},
number = 1,
volume = 91,
place = {United States},
year = {Mon Jan 12 00:00:00 EST 2015},
month = {Mon Jan 12 00:00:00 EST 2015}
}
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