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Title: Dissociative Recombination of Cold HeH + Ions

Abstract

The HeH + cation is the simplest molecular prototype of the indirect dissociative recombination (DR) process that proceeds through electron capture into Rydberg states of the corresponding neutral molecule. This Letter develops the first application of our recently developed energy-dependent frame transformation theory to the indirect DR processes. The theoretical model is based on the multichannel quantum-defect theory with the vibrational basis states computed using exterior complex scaling of the nuclear Hamiltonian. The ab initio electronic R-matrix theory is adopted to compute quantum defects as functions of the collision energy and of the internuclear distance. The resulting DR rates are convolved over the beam energy distributions relevant to a recent experiment at the Cryogenic Storage Ring, giving good agreement between the experiment and the theory.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3]
  1. J. Heyrovsky Institute of Physical Chemistry, Prague (Czech Republic)
  2. J. Heyrovsky Institute of Physical Chemistry, Prague (Czech Republic); Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
  3. Purdue Univ., West Lafayette, IN (United States). Dept of Physics and Astronomy; Purdue Univ., West Lafayette, IN (United States). Purdue Quantum Science and Engineering Institute
Publication Date:
Research Org.:
Purdue Univ., West Lafayette, IN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1595319
Grant/Contract Number:  
SC0010545
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 124; Journal Issue: 4; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; electron-molecule collisions; dissociative recombination; theory

Citation Formats

Čurík, Roman, Hvizdoš, Dávid, and Greene, Chris H. Dissociative Recombination of Cold HeH+ Ions. United States: N. p., 2020. Web. doi:10.1103/PhysRevLett.124.043401.
Čurík, Roman, Hvizdoš, Dávid, & Greene, Chris H. Dissociative Recombination of Cold HeH+ Ions. United States. doi:10.1103/PhysRevLett.124.043401.
Čurík, Roman, Hvizdoš, Dávid, and Greene, Chris H. Tue . "Dissociative Recombination of Cold HeH+ Ions". United States. doi:10.1103/PhysRevLett.124.043401.
@article{osti_1595319,
title = {Dissociative Recombination of Cold HeH+ Ions},
author = {Čurík, Roman and Hvizdoš, Dávid and Greene, Chris H.},
abstractNote = {The HeH+ cation is the simplest molecular prototype of the indirect dissociative recombination (DR) process that proceeds through electron capture into Rydberg states of the corresponding neutral molecule. This Letter develops the first application of our recently developed energy-dependent frame transformation theory to the indirect DR processes. The theoretical model is based on the multichannel quantum-defect theory with the vibrational basis states computed using exterior complex scaling of the nuclear Hamiltonian. The ab initio electronic R-matrix theory is adopted to compute quantum defects as functions of the collision energy and of the internuclear distance. The resulting DR rates are convolved over the beam energy distributions relevant to a recent experiment at the Cryogenic Storage Ring, giving good agreement between the experiment and the theory.},
doi = {10.1103/PhysRevLett.124.043401},
journal = {Physical Review Letters},
number = 4,
volume = 124,
place = {United States},
year = {2020},
month = {1}
}

Journal Article:
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