Convergent TCAO close-coupling calculations for electron transfer, excitation and ionization in intermediate keV collisions

Kuang, Jiyun; Lin, C. D.

doi:10.1088/0953-4075/30/1/012

Cited by 61 publications

(40 citation statements)

References 22 publications

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“…As expected from the analysis and calculations performed in Ref. [22], even the more restricted basis (n 4 states on He + and n 3 states on H) provides an acceptable description of electron-capture dynamics for this collision system in the unscreened case. The cross sections for electron capture to the 1s, 2s, and 2p states of He + ion in the zero-screening case are shown in Fig.…”

Section: Results For the M-selective Cross Sections And Polarizasupporting

confidence: 60%

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Polarization spectroscopy of He+(nl)produced in collisions of He2+<

2011

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Polarization spectroscopy of He + (nl) ion produced in He 2+ -H(1s) collisions in a Debye plasma is studied by the two-center atomic orbital close-coupling (TC-AOCC) method in the energy range 1-200 keV/u. The atomic orbitals and electron binding energies of atomic states are calculated within the Debye-Hückel approximation of the screened Coulomb potential and used in the AOCC dynamics formalism to calculate the magnetic substate-selective electron-capture cross sections. It is demonstrated that the screening of Coulomb interactions affects the entire collision dynamics and the magnitude and energy behavior of m-state-selective cross sections. The changes in magnetic substate-selective electron-capture cross sections when the interaction screening varies introduce dramatic changes in the polarization spectroscopy with respect to the unscreened interaction case. The magnetic substate-selective electron-capture cross sections, as well as the polarization degrees for the 2p 2 P 3/2 -1s 2 S 1/2 ,3p 2 P 3/2 -2s 2 S 1/2 ,3d 2 D 5/2 -2p 2 P 3/2 , and 3d 2 D 3/2 -2p 2 P 1/2 transitions in the He + ion produced in this collision system, are presented and discussed for a number of representative screening parameter values.

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Section: Results For the M-selective Cross Sections And Polarizasupporting

confidence: 60%

“…1 and compared with the results of previous TC-AOCC calculations of Ref. [22] (denoted by crosses). It can be seen that the present calculations coincide with those of Ref.…”

Section: Results For the M-selective Cross Sections And Polarizamentioning

confidence: 99%

Polarization spectroscopy of He+(nl)produced in collisions of He2+<

2011

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“…For determining the bound electronic states on the target and projectile ions, we have used the variational method with an even-tempered basis [13,14] …”

Section: A Tc-aocc Methodsmentioning

confidence: 99%

Cross sections for electron capture in H+-Li(2pσ,π±) collisions

Liu

Wang

et al. 2011

Phys. Rev. A

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State-selective and total single-electron-capture cross sections in collisions of H + with the excited Li * (2p) atom have been investigated by using the full quantum-mechanical molecular orbital close-coupling (QMOCC) method in the energy range 0.001-3 keV/u and by the two-center atomic orbital close-coupling (TC-AOCC) method in the energy range 0.1-100 keV/u. The present results are also compared with data from other sources when available. It is found that the total and partial electron-capture cross sections are sensitive to the initial p-state charge cloud alignment, particularly in the low-energy region.

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“…Notwithstanding considerable success in applications to charge transfer collisions these methods can be criticized for being built on formally overcomplete basis sets. Indeed, there are known cases in which too large basis sets on both centers (perhaps combined with insufficient numerical accuracy in the calculation of matrix elements) have led to spurious couplings and unphysical results [165], meaning that the bigger (the basis), the better (the convergence) is not necessarily true for these two-center methods. The insight that completeness of a basis is not necessary, in principle, for following the evolution of the time-dependent state vector exactly [166] does not help in practice, since there is no other practical criterion available than checking for changes in the results when more basis states are added.…”

Section: Uncertainty Assessment For Charge Transfer Collisionsmentioning

confidence: 99%

Uncertainty estimates for theoretical atomic and molecular data

Chung¹,

Braams²,

Bartschat³

et al. 2016

J. Phys. D: Appl. Phys.

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Sources of uncertainty are reviewed for calculated atomic and molecular data that are important for plasma modeling: atomic and molecular structure and cross sections for electron-atom, electron-molecule, and heavy particle collisions. We concentrate on model uncertainties due to approximations to the fundamental many-body quantum mechanical equations and we aim to provide guidelines to estimate uncertainties as a routine part of computations of data for structure and scattering.

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Convergent TCAO close-coupling calculations for electron transfer, excitation and ionization in intermediate keV collisions

Cited by 61 publications

References 22 publications

Polarization spectroscopy of He+(nl)produced in collisions of He2+<

Polarization spectroscopy of He+(nl)produced in collisions of He2+<

Cross sections for electron capture in H+-Li(2pσ,π±) collisions

Uncertainty estimates for theoretical atomic and molecular data

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