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Bound and resonance states of the dipolar anion of hydrogen cyanide [electronic resource] : Competition between threshold effects and rotation in an open quantum system

Published:
Washington, D.C. : United States. Dept. of Energy. Office of Nuclear Physics, 2015.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description:
Article numbers 012,503 : digital, PDF file
Additional Creators:
Michigan State University, United States. Department of Energy. Office of Nuclear Physics, United States. Office of the United States Secretary of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary:
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.
Report Numbers:
E 1.99:1337827
Subject(s):
Note:
Published through SciTech Connect.
01/12/2015.
Physical Review. A 91 1 ISSN 1050-2947 AM
K. Fossez; N. Michel; W. Nazarewicz; M. Płoszajczak; Y. Jaganathen.
Funding Information:
FG02-10ER41700
FG02-96ER40963
View MARC record | catkey: 23503724