One-center close-coupling approach to two-center rearrangement collisions

Abdurakhmanov, I. B.; Plowman, C.; Kadyrov, A. S.; Bray, I.; Mukhamedzhanov, A. M.

doi:10.1088/1361-6455/ab894a

One-center close-coupling approach to two-center rearrangement collisions

Journal Article · Tue Jun 16 00:00:00 EDT 2020 · Journal of Physics. B, Atomic, Molecular and Optical Physics

DOI:https://doi.org/10.1088/1361-6455/ab894a· OSTI ID:1733342

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Curtin Univ., Perth, WA (Australia); Texas A&M University
Curtin Univ., Perth, WA (Australia)
Texas A & M Univ., College Station, TX (United States)

Calculations of ionization and electron-capture cross sections in ion-atom collisions usually require solving the Schrödinger equation governing the collision system by expanding the total scattering wave function in a basis of target- and projectile-centered pseudostates. This approach leads to the two-center close-coupling equations which in some cases may become ill-conditioned due to the non-orthogonality of the underlying combined basis. Here we develop a technique which allows to accurately extract the necessary collision information, including that for the rearrangement channels, from the computationally more convenient one-center close-coupling equations which are built from only target-centered pseudostates. The robustness of the method is demonstrated by considering the proton-hydrogen scattering problem across a wide incident energy range. The developed method is then applied to study proton scattering on multielectron target of lithium. Here, the obtained results for the 2s → 2p excitation and the total electron-capture cross sections are in good agreement with corresponding experimental data. It is concluded that the presented technique could be a simpler alternative when integrated cross sections are required.

View Accepted Manuscript (DOE)

Research Organization:: Texas A & M Univ., College Station, TX (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003841; FG02-93ER40773

OSTI ID:: 1733342

Alternate ID(s):: OSTI ID: 23015476

Journal Information:: Journal of Physics. B, Atomic, Molecular and Optical Physics, Journal Name: Journal of Physics. B, Atomic, Molecular and Optical Physics Journal Issue: 14 Vol. 53; ISSN 0953-4075

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (69)

Database for Inelastic Collisions of Lithium Atoms with Electrons, Protons, and Multiply Charged ions Schweinzer, J.; Brandenburg, R.; Bray, I. Atomic Data and Nuclear Data Tables, Vol. 72, Issue 2 https://doi.org/10.1006/adnd.1999.0815	journal	July 1999
Electron capture in high-energy ion-atom collisions Belkic, D. Physics Reports, Vol. 56, Issue 6 https://doi.org/10.1016/0370-1573(79)90035-8	journal	December 1979
The semiclassical close-coupling description of atomic collisions: Recent developments and results Fritsch, Wolfgang; Lin, C. D. Physics Reports, Vol. 202, Issue 1-2 https://doi.org/10.1016/0370-1573(91)90008-a	journal	April 1991
Electron capture, ionization and excitation cross sections for keV collisions between fully stripped ions and atomic hydrogen in ground and excited states Agueny, Hicham; Hansen, Jan Petter; Dubois, Alain Atomic Data and Nuclear Data Tables, Vol. 129-130 https://doi.org/10.1016/j.adt.2019.05.002	journal	September 2019
Surface-integral formulation of scattering theory Kadyrov, A. S.; Bray, I.; Mukhamedzhanov, A. M. Annals of Physics, Vol. 324, Issue 7 https://doi.org/10.1016/j.aop.2009.02.003	journal	July 2009
Experimental study of the ionisation of atomic hydrogen by fast H ⁺ and He ²⁺ ions Shah, M. B.; Gilbody, H. B. Journal of Physics B: Atomic and Molecular Physics, Vol. 14, Issue 14 https://doi.org/10.1088/0022-3700/14/14/009	journal	July 1981
Charge transfer in collisions between protons and lithium atoms Ermolaev, A. M. Journal of Physics B: Atomic and Molecular Physics, Vol. 17, Issue 13 https://doi.org/10.1088/0022-3700/17/13/520	journal	July 1984
Inelastic H ⁺ -Li(2s) collisions (2-20 keV). I. Experimental methods and Li(2p) excitation Aumayr, F.; Fehringer, M.; Winter, H. Journal of Physics B: Atomic and Molecular Physics, Vol. 17, Issue 20 https://doi.org/10.1088/0022-3700/17/20/017	journal	October 1984
Inelastic H ⁺ -Li(2s) collisions (2-20 keV). II. Electron capture into H(2p) and H(3,l) subshells Aumayr, F.; Fehringer, M.; Winter, H. Journal of Physics B: Atomic and Molecular Physics, Vol. 17, Issue 20 https://doi.org/10.1088/0022-3700/17/20/018	journal	October 1984
Inelastic H ⁺ -Li(2s) collisions (2-20 keV). III. Electron capture into the H(2s) subshell Aumayr, F.; Lakits, G.; Husinsky, W. Journal of Physics B: Atomic and Molecular Physics, Vol. 18, Issue 12 https://doi.org/10.1088/0022-3700/18/12/024	journal	June 1985
Ionisation and charge transfer in collisions of H ⁺ and He ²⁺ with lithium Shah, M. B.; Elliott, D. S.; Gilbody, H. B. Journal of Physics B: Atomic and Molecular Physics, Vol. 18, Issue 21 https://doi.org/10.1088/0022-3700/18/21/012	journal	November 1985
Ionisation of atomic hydrogen by 9-75 keV protons Shah, M. B.; Elliott, D. S.; Gilbody, H. B. Journal of Physics B: Atomic and Molecular Physics, Vol. 20, Issue 11 https://doi.org/10.1088/0022-3700/20/11/016	journal	June 1987
Electron Ionization by Impact of Carbon and Oxygen Ions on Hydrogen and Helium Atoms Rivarola, R. D.; Fainstein, P. D.; Ponce, V. H. Physica Scripta, Vol. T28 https://doi.org/10.1088/0031-8949/1989/t28/018	journal	January 1989
Electron Capture by Fast H ⁺ , He ⁺ , and He ⁺⁺ Ions in Collisions With Atomic and Molecular Hydrogen Hvelplund, P.; Andersen, A. Physica Scripta, Vol. 26, Issue 5 https://doi.org/10.1088/0031-8949/26/5/005	journal	November 1982
An experimental study of charge transfer in proton-atomic-hydrogen collisions using a furnace target method Wittkower, A. B.; Ryding, G.; Gilbody, H. B. Proceedings of the Physical Society, Vol. 89, Issue 3 https://doi.org/10.1088/0370-1328/89/3/310	journal	November 1966
Optical potential description of collisions of p and p(mean) with alkali atoms Stary, C.; Ludde, H. J.; Dreizler, R. M. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 23, Issue 2 https://doi.org/10.1088/0953-4075/23/2/009	journal	January 1990
Electron capture in proton collisions with alkali atoms as a three-body problem Avakov, G. V.; Blokhintsev, L. D.; Kadyrov, A. S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 25, Issue 1 https://doi.org/10.1088/0953-4075/25/1/024	journal	January 1992
Single-centred calculations of excitation and electron removal in intermediate energy proton-hydrogen collisions Ford, A. L.; Reading, J. F.; Hall, K. A. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 26, Issue 23 https://doi.org/10.1088/0953-4075/26/23/022	journal	December 1993
The single ionization of multielectron atoms using the continuum-distorted-wave eikonal-initial-state model McCartney, M.; Crothers, D. S. F. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 26, Issue 23 https://doi.org/10.1088/0953-4075/26/23/024	journal	December 1993
Comprehensive convergence study of TCAO close-coupling method for the excitation and ionization in keV collisions Kuang, Jiyun; Lin, C. D. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 29, Issue 22 https://doi.org/10.1088/0953-4075/29/22/020	journal	November 1996
On the convergence of the two-centre AO close-coupling method in ion - atom collisions Kuang, Jiyun; Lin, C. D. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 29, Issue 6 https://doi.org/10.1088/0953-4075/29/6/017	journal	March 1996
On the instability of excitation and capture cross sections in the two-centre AO close-coupling calculations Toshima, Nobuyuki Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 30, Issue 5 https://doi.org/10.1088/0953-4075/30/5/001	journal	March 1997
excitation by impact of slow ions Brandenburg, R.; Schweinzer, J.; Aumayr, F. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 31, Issue 11 https://doi.org/10.1088/0953-4075/31/11/019	journal	June 1998
Convergence of two-centre expansions in positron-hydrogen collisions Kadyrov, Alisher S.; Bray, Igor Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 33, Issue 18 https://doi.org/10.1088/0953-4075/33/18/101	journal	August 2000
Solution of the proton-hydrogen scattering problem using a quantum-mechanical two-center convergent close-coupling method Abdurakhmanov, I. B.; Kadyrov, A. S.; Avazbaev, S. K. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 11 https://doi.org/10.1088/0953-4075/49/11/115203	journal	May 2016
Balmer emission induced by proton impact on atomic hydrogen Abdurakhmanov, I. B.; Erkilic, O.; Kadyrov, A. S. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 52, Issue 10 https://doi.org/10.1088/1361-6455/ab1735	journal	April 2019
Proton scattering from excited states of atomic hydrogen Abdurakhmanov, I. B.; Alladustov, Sh U.; Bailey, J. J. Plasma Physics and Controlled Fusion, Vol. 60, Issue 9 https://doi.org/10.1088/1361-6587/aad436	journal	August 2018
Electron capture by fast projectiles from lithium, carbon, nitrogen, oxygen and neon Mančev, I.; Milojević, N.; Delibašić, D. Physica Scripta, Vol. 95, Issue 6 https://doi.org/10.1088/1402-4896/ab725e	journal	March 2020
Excitation and charge transfer in proton-hydrogen collisions Kołakowska, A.; Pindzola, M. S.; Robicheaux, F. Physical Review A, Vol. 58, Issue 4 https://doi.org/10.1103/PhysRevA.58.2872	journal	October 1998
Electron Transfer in Proton-Hydrogen-Atom Collisions: 2-117 keV McClure, G. W. Physical Review, Vol. 148, Issue 1 https://doi.org/10.1103/physrev.148.47	journal	August 1966
Measurement of the Total Cross Section for Charge Transfer into the Metastable State H ( 2 s ) for Proton Collisions with Atomic Hydrogen Bayfield, James E. Physical Review, Vol. 185, Issue 1 https://doi.org/10.1103/physrev.185.105	journal	September 1969
Cross sections for excitation of atomic hydrogen to the n = 2 , 3 , and 4 states by 15-200-keV protons Park, J. T.; Aldag, J. E.; George, J. M. Physical Review A, Vol. 14, Issue 2 https://doi.org/10.1103/physreva.14.608	journal	August 1976
Atomic total electron-capture cross sections from C-, O-, F-, and S-bearing molecular gases for ∼ MeV/u H + and He + projectiles Varghese, S. L.; Bissinger, G.; Joyce, J. M. Physical Review A, Vol. 31, Issue 4 https://doi.org/10.1103/physreva.31.2202	journal	April 1985
Electron capture by protons and helium ions from lithium, sodium, and magnesium DuBois, R. D.; Toburen, L. H. Physical Review A, Vol. 31, Issue 6 https://doi.org/10.1103/physreva.31.3603	journal	June 1985
Electron capture by fast protons from helium, nitrogen, and oxygen: The corrected first Born approximation Belkić, Dzevad Physical Review A, Vol. 37, Issue 1 https://doi.org/10.1103/physreva.37.55	journal	January 1988
Convergent close-coupling method for the calculation of electron scattering on hydrogenlike targets Bray, Igor Physical Review A, Vol. 49, Issue 2 https://doi.org/10.1103/physreva.49.1066	journal	February 1994
Energy and angular distributions of electrons from ion impact on atomic and molecular hydrogen. II. 20–114-keV H + +H Kerby, G. W.; Gealy, M. W.; Hsu, Y. -Y. Physical Review A, Vol. 51, Issue 3 https://doi.org/10.1103/physreva.51.2256	journal	March 1995
Convergence and completeness of the pseudostate expansion for proton-hydrogen collisions in two-center close-coupling calculations Toshima, Nobuyuki Physical Review A, Vol. 59, Issue 3 https://doi.org/10.1103/physreva.59.1981	journal	March 1999
Excitation and charge transfer in proton-lithium collisions at 5–15 keV Pindzola, M. S. Physical Review A, Vol. 60, Issue 5 https://doi.org/10.1103/physreva.60.3764	journal	November 1999
Classical study of single-electron capture and ionization processes in A q + + ( H , H 2 ) collisions Illescas, Clara; Riera, A. Physical Review A, Vol. 60, Issue 6 https://doi.org/10.1103/physreva.60.4546	journal	December 1999
Ability of monocentric close-coupling expansions to describe ionization in atomic collisions Pons, B. Physical Review A, Vol. 63, Issue 1 https://doi.org/10.1103/physreva.63.012704	journal	December 2000
Total and differential cross-section calculations for proton-impact ionization of hydrogen at low energies Zou, Shiyang; Pichl, Lukáš; Kimura, Mineo Physical Review A, Vol. 66, Issue 4 https://doi.org/10.1103/physreva.66.042707	journal	October 2002
Time-dependent independent-particle model calculation of multiple capture and ionization processes in p − A r , p ¯ − Ar , and He 2 + − A r collisions Kirchner, T.; Horbatsch, M.; Lüdde, H. J. Physical Review A, Vol. 66, Issue 5 https://doi.org/10.1103/physreva.66.052719	journal	November 2002
Time-dependent lattice methods for ion-atom collisions in Cartesian and cylindrical coordinate systems Pindzola, M. S.; Schultz, D. R. Physical Review A, Vol. 77, Issue 1 https://doi.org/10.1103/physreva.77.014701	journal	January 2008
Antiproton and proton collisions with the alkali-metal atoms Li, Na, and K Lühr, Armin; Saenz, Alejandro Physical Review A, Vol. 77, Issue 5 https://doi.org/10.1103/physreva.77.052713	journal	May 2008
Electron transfer, excitation, and ionization in p -H ( 1 s ) collisions studied with Sturmian bases Winter, Thomas G. Physical Review A, Vol. 80, Issue 3 https://doi.org/10.1103/physreva.80.032701	journal	September 2009
Two-center convergent close-coupling calculations for positron-lithium collisions Lugovskoy, A. V.; Kadyrov, A. S.; Bray, I. Physical Review A, Vol. 82, Issue 6 https://doi.org/10.1103/physreva.82.062708	journal	December 2010
Proton-impact excitation of lithium using a time-dependent close-coupling method Lee, Teck-Ghee; Pindzola, M. S. Physical Review A, Vol. 84, Issue 5 https://doi.org/10.1103/physreva.84.052712	journal	November 2011
Ionization of helium by slow antiproton impact: Total and differential cross sections Borbély, S.; Feist, J.; Tőkési, K. Physical Review A, Vol. 90, Issue 5 https://doi.org/10.1103/physreva.90.052706	journal	November 2014
Antiproton stopping in atomic targets Bailey, J. J.; Kadyrov, A. S.; Abdurakhmanov, I. B. Physical Review A, Vol. 92, Issue 2 https://doi.org/10.1103/physreva.92.022707	journal	August 2015
Time-dependent density-functional-theory studies of collisions involving He atoms: Extension of an adiabatic correlation-integral model Baxter, Matthew; Kirchner, Tom Physical Review A, Vol. 93, Issue 1 https://doi.org/10.1103/physreva.93.012502	journal	January 2016
Polarization of Lyman- α emission in proton-hydrogen collisions studied using a semiclassical two-center convergent close-coupling approach Avazbaev, S. K.; Kadyrov, A. S.; Abdurakhmanov, I. B. Physical Review A, Vol. 93, Issue 2 https://doi.org/10.1103/physreva.93.022710	journal	February 2016
Wave-packet continuum-discretization approach to ion-atom collisions: Nonrearrangement scattering Abdurakhmanov, I. B.; Kadyrov, A. S.; Bray, I. Physical Review A, Vol. 94, Issue 2 https://doi.org/10.1103/physreva.94.022703	journal	August 2016
Application of a grid numerical method to calculate state-selective cross sections for electron capture in Be 4 + + H ( 1 s ) collisions Jorge, A.; Suárez, J.; Illescas, Clara Physical Review A, Vol. 94, Issue 3 https://doi.org/10.1103/physreva.94.032707	journal	September 2016
Wave-packet continuum-discretization approach to single ionization of helium by antiprotons and energetic protons Abdurakhmanov, I. B.; Kadyrov, A. S.; Bray, I. Physical Review A, Vol. 96, Issue 2 https://doi.org/10.1103/physreva.96.022702	journal	August 2017
Two-center convergent close-coupling approach to positron–helium-ion collisions Rawlins, C. M.; Kadyrov, A. S.; Bray, I. Physical Review A, Vol. 97, Issue 1 https://doi.org/10.1103/physreva.97.012707	journal	January 2018
Wave-packet continuum-discretization approach to ion-atom collisions including rearrangement: Application to differential ionization in proton-hydrogen scattering Abdurakhmanov, I. B.; Bailey, J. J.; Kadyrov, A. S. Physical Review A, Vol. 97, Issue 3 https://doi.org/10.1103/physreva.97.032707	journal	March 2018
State-selective electron transfer in He + + He collisions at intermediate energies Gao, J. W.; Wu, Y.; Wang, J. G. Physical Review A, Vol. 97, Issue 5 https://doi.org/10.1103/physreva.97.052709	journal	May 2018
Ionization and electron capture in collisions of bare carbon ions with hydrogen Abdurakhmanov, I. B.; Massen-Hane, K.; Alladustov, Sh. U. Physical Review A, Vol. 98, Issue 6 https://doi.org/10.1103/physreva.98.062710	journal	December 2018
Proton-beam stopping in hydrogen Bailey, J. J.; Abdurakhmanov, I. B.; Kadyrov, A. S. Physical Review A, Vol. 99, Issue 4 https://doi.org/10.1103/physreva.99.042701	journal	April 2019
Wave-packet continuum-discretization approach to proton collisions with helium Alladustov, Sh. U.; Abdurakhmanov, I. B.; Kadyrov, A. S. Physical Review A, Vol. 99, Issue 5 https://doi.org/10.1103/physreva.99.052706	journal	May 2019
Coulomb Breakup Problem Kadyrov, A. S.; Bray, I.; Mukhamedzhanov, A. M. Physical Review Letters, Vol. 101, Issue 23 https://doi.org/10.1103/physrevlett.101.230405	journal	December 2008
Target Structure-Induced Suppression of the Ionization Cross Section for Low-Energy Antiproton-Molecular Hydrogen Collisions: Theoretical Confirmation Abdurakhmanov, I. B.; Kadyrov, A. S.; Fursa, D. V. Physical Review Letters, Vol. 111, Issue 17 https://doi.org/10.1103/physrevlett.111.173201	journal	October 2013
Full Ambiguity-Free Quantum Treatment of D + + H ( 1 s ) Charge Transfer Reactions at Low Energies Igarashi, Akinori; Lin, C. D. Physical Review Letters, Vol. 83, Issue 20 https://doi.org/10.1103/physrevlett.83.4041	journal	November 1999
Excitation and charge transfer in H-H+ collisions at 5-80 keV and application to astrophysical shocks: Hydrogen-proton collisions Tseliakhovich, Dmitriy; Hirata, Christopher M.; Heng, Kevin Monthly Notices of the Royal Astronomical Society, Vol. 422, Issue 3 https://doi.org/10.1111/j.1365-2966.2012.20787.x	journal	March 2012
Calculation of ionization and total and partial charge exchange cross sections for collisions of C6+ and N7+ with H Jorge, Alba; Errea, L. F.; Illescas, Clara The European Physical Journal D, Vol. 68, Issue 8 https://doi.org/10.1140/epjd/e2014-50109-4	journal	August 2014
Electron capture and excitation in H+ − Li+ collisions Jakimovski, Dragan; Janev, Ratko K. The European Physical Journal D, Vol. 73, Issue 8 https://doi.org/10.1140/epjd/e2019-100146-6	journal	August 2019
Proton impact on ground and excited states of atomic hydrogen Leung, Anthony C. K.; Kirchner, Tom The European Physical Journal D, Vol. 73, Issue 11 https://doi.org/10.1140/epjd/e2019-100380-x	journal	November 2019
Frozen Core Approximation and Nuclear Screening Effects in Single Electron Capture Collisions Harris, Allison Atoms, Vol. 7, Issue 2 https://doi.org/10.3390/atoms7020044	journal	April 2019

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74 ATOMIC AND MOLECULAR PHYSICS
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electron capture
ionization
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One-center close-coupling approach to two-center rearrangement collisions

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