Dissociative Recombination of Cold HeH+ Ions

Čurík, Roman; Hvizdoš, Dávid; Greene, Chris H.

doi:10.1103/PhysRevLett.124.043401

Title: Dissociative Recombination of Cold HeH⁺ Ions

Journal Article · 27 January 2020 · Physical Review Letters

DOI: https://doi.org/10.1103/PhysRevLett.124.043401 · OSTI ID:1595319

^[1]; Hvizdoš, Dávid ^[2];

^[3]

J. Heyrovsky Institute of Physical Chemistry, Prague (Czech Republic); Purdue University
J. Heyrovsky Institute of Physical Chemistry, Prague (Czech Republic); Charles Univ., Prague (Czech Republic). Faculty of Mathematics and Physics
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

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.

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Research Organization:: Purdue Univ., West Lafayette, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0010545

OSTI ID:: 1595319

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 4 Vol. 124; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (36)

Polarized basis sets of Slater-type orbitals: H to Ne atoms Ema, I.; García de la Vega, J. M.; Ramírez, G. Journal of Computational Chemistry, Vol. 24, Issue 7 https://doi.org/10.1002/jcc.10227	journal	May 2003
Experimental Born–Oppenheimer Potential for theX1Σ+Ground State of HeH+: Comparison with theAb InitioPotential Coxon, John A.; Hajigeorgiou, Photos G. Journal of Molecular Spectroscopy, Vol. 193, Issue 2 https://doi.org/10.1006/jmsp.1998.7740	journal	February 1999
The definition of molecular resonance curves by the method of exterior complex scaling Simon, Barry Physics Letters A, Vol. 71, Issue 2-3 https://doi.org/10.1016/0375-9601(79)90165-8	journal	April 1979
Astrophysical detection of the helium hydride ion HeH+ Güsten, Rolf; Wiesemeyer, Helmut; Neufeld, David Nature, Vol. 568, Issue 7752 https://doi.org/10.1038/s41586-019-1090-x	journal	April 2019
Study on the dissociative recombination of HeH ⁺ by multi-channel quantum defect theory Takagi, Hidekazu; Tashiro, Motomichi EPJ Web of Conferences, Vol. 84 https://doi.org/10.1051/epjconf/20158402002	journal	January 2015
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Dunning, Thom H. The Journal of Chemical Physics, Vol. 90, Issue 2 https://doi.org/10.1063/1.456153	journal	January 1989
Inelastic low-energy collisions of electrons with HeH ⁺ : Rovibrational excitation and dissociative recombination Čurík, Roman; Greene, Chris H. The Journal of Chemical Physics, Vol. 147, Issue 5 https://doi.org/10.1063/1.4994921	journal	August 2017
Vibrational excitation and dissociative recombination of the LiH ⁺ ion ČurÍk, R.; Greene, C. H. Molecular Physics, Vol. 105, Issue 11-12 https://doi.org/10.1080/00268970701335763	journal	June 2007
DISSOCIATIVE RECOMBINATION MEASUREMENTS OF HCl ⁺ USING AN ION STORAGE RING Novotný, O.; Becker, A.; Buhr, H. The Astrophysical Journal, Vol. 777, Issue 1 https://doi.org/10.1088/0004-637X/777/1/54	journal	October 2013
R -matrix calculations for polyatomic molecules: electron scattering by Morgan, L. A.; Gillan, C. J.; Tennyson, J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 30, Issue 18 https://doi.org/10.1088/0953-4075/30/18/010	journal	September 1997
Atomic and molecular processes in the early Universe Lepp, S.; Stancil, P. C.; Dalgarno, A. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 35, Issue 10 https://doi.org/10.1088/0953-4075/35/10/201	journal	May 2002
Implementation of exterior complex scaling in B-splines to solve atomic and molecular collision problems McCurdy, C. William; Martín, Fernando Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 37, Issue 4 https://doi.org/10.1088/0953-4075/37/4/017	journal	February 2004
Determination of photodissociation and radiative association cross sections from the same time-dependent calculation Vranckx, S.; Loreau, J.; Desouter-Lecomte, M. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 46, Issue 15 https://doi.org/10.1088/0953-4075/46/15/155201	journal	July 2013
On the Derivation of the Dispersion Formula for Nuclear Reactions Siegert, A. J. F. Physical Review, Vol. 56, Issue 8 https://doi.org/10.1103/PhysRev.56.750	journal	October 1939
Backpropagated frame transformation theory: A reformulation Hvizdoš, Dávid; Greene, Chris H.; Čurík, Roman Physical Review A, Vol. 101, Issue 1 https://doi.org/10.1103/PhysRevA.101.012709	journal	January 2020
Radiative recombination between fully stripped ions and free electrons Andersen, Lars H.; Bolko, Jakob Physical Review A, Vol. 42, Issue 3 https://doi.org/10.1103/PhysRevA.42.1184	journal	August 1990
Dissociative recombination without a curve crossing Guberman, Steven L. Physical Review A, Vol. 49, Issue 6 https://doi.org/10.1103/PhysRevA.49.R4277	journal	June 1994
Dissociative recombination and dissociative excitation of HeH + 4 : Absolute cross sections and mechanisms Strömholm, C.; Semaniak, J.; Rosén, S. Physical Review A, Vol. 54, Issue 4 https://doi.org/10.1103/PhysRevA.54.3086	journal	October 1996
Siegert pseudostate formulation of scattering theory: One-channel case Tolstikhin, Oleg I.; Ostrovsky, Valentin N.; Nakamura, Hiroki Physical Review A, Vol. 58, Issue 3 https://doi.org/10.1103/PhysRevA.58.2077	journal	September 1998
Theory of Electron-Molecule Collisions by Frame Transformations Chang, E. S.; Fano, U. Physical Review A, Vol. 6, Issue 1 https://doi.org/10.1103/PhysRevA.6.173	journal	July 1972
Unified theoretical treatment of dissociative recombination of D 3 h triatomic ions: Application to H 3 + and D 3 + Kokoouline, Viatcheslav; Greene, Chris H. Physical Review A, Vol. 68, Issue 1 https://doi.org/10.1103/PhysRevA.68.012703	journal	July 2003
Theoretical study of the dissociative recombination of He H + Takagi, Hidekazu Physical Review A, Vol. 70, Issue 2 https://doi.org/10.1103/PhysRevA.70.022709	journal	August 2004
Theoretical study of dissociative recombination of C 2 v triatomic ions: Application to H 2 D + and D 2 H + Kokoouline, Viatcheslav; Greene, Chris H. Physical Review A, Vol. 72, Issue 2 https://doi.org/10.1103/PhysRevA.72.022712	journal	August 2005
Ab initio frame-transformation calculations of direct and indirect dissociative recombination rates of He H + + e − Haxton, Daniel J.; Greene, Chris H. Physical Review A, Vol. 79, Issue 2 https://doi.org/10.1103/PhysRevA.79.022701	journal	February 2009
Resonant structure of low-energy H 3 + dissociative recombination Petrignani, Annemieke; Altevogt, Simon; Berg, Max H. Physical Review A, Vol. 83, Issue 3 https://doi.org/10.1103/PhysRevA.83.032711	journal	March 2011
Assignment of resonances in dissociative recombination of HD + ions: High-resolution measurements compared with accurate computations Waffeu Tamo, F. O.; Buhr, H.; Motapon, O. Physical Review A, Vol. 84, Issue 2 https://doi.org/10.1103/PhysRevA.84.022710	journal	August 2011
Erratum: Ab initio frame-transformation calculations of direct and indirect dissociative recombination rates of HeH + + e − [Phys. Rev. A 79 , 022701 (2009)] Haxton, Daniel J.; Greene, Chris H. Physical Review A, Vol. 84, Issue 3 https://doi.org/10.1103/PhysRevA.84.039903	journal	September 2011
Indirect dissociative recombination of LiHe + ions driven by vibrational Feshbach resonances Čurík, R.; Gianturco, F. A. Physical Review A, Vol. 87, Issue 1 https://doi.org/10.1103/PhysRevA.87.012705	journal	January 2013
Validity of the Born-Oppenheimer approximation in the indirect-dissociative-recombination process Čurík, Roman; Hvizdoš, Dávid; Greene, Chris H. Physical Review A, Vol. 98, Issue 6 https://doi.org/10.1103/PhysRevA.98.062706	journal	December 2018
Competition Among Molecular Fragmentation Channels Described with Siegert Channel Pseudostates Hamilton, Edward L.; Greene, Chris H. Physical Review Letters, Vol. 89, Issue 26 https://doi.org/10.1103/PhysRevLett.89.263003	journal	December 2002
Indirect Dissociative Recombination of LiH + Molecules Fueled by Complex Resonance Manifolds Čurík, R.; Greene, Chris Physical Review Letters, Vol. 98, Issue 17 https://doi.org/10.1103/PhysRevLett.98.173201	journal	April 2007
Quantum-state–selective electron recombination studies suggest enhanced abundance of primordial HeH ⁺ Novotný, Oldřich; Wilhelm, Patrick; Paul, Daniel Science, Vol. 365, Issue 6454 https://doi.org/10.1126/science.aax5921	journal	July 2019
ab initio frame transformation calculations of direct and indirect dissociative recombination rates of HeH+ + e- Haxton, Daniel J.; Greene, Chris H. arXiv https://doi.org/10.48550/arxiv.0810.3462	text	January 2008
On the validity of the Born-Oppenheimer approximation in the indirect dissociative recombination process Čurík, Roman; Hvizdoš, Dávid; Greene, Chris H. arXiv https://doi.org/10.48550/arxiv.1810.09124	text	January 2018
Competition among molecular fragmentation channels described with Siegert channel pseudostates Hamilton, Edward L.; Greene, Chris H. arXiv https://doi.org/10.48550/arxiv.physics/0208030	text	January 2002
Dissociative Recombination Measurements of HCl+ Using an Ion Storage Ring Novotny, Oldrich; Becker, A.; Buhr, H. Columbia University https://doi.org/10.7916/d8gx4q0w	text	January 2013

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Title: Dissociative Recombination of Cold HeH⁺ Ions