The single- and double-electron capture processes in He2+–He collisions are investigated by the fully quantum-mechanical molecular orbital close-coupling method employing a basis containing 15 gerade and 14 ungerade molecular states. The energies and wavefunctions of He22+ molecular states included in the study are determined ab initio by the multireference single- and double-excitation configuration interaction method. The dominant capture mechanisms are discussed and the integral and differential charge transfer cross sections are calculated in the energy range of 0.0005–17.5 keV/u and compared with other available experimental and theoretical results.

Single- and double-charge transfer in slow He2+?He collisions

We propose a classical trajectory Monte Carlo method to describe two-center collisions with two active electrons. The approach is based on switching between standard four-body and three-body descriptions and it is therefore easy to implement. We demonstrate the reliability of the approach for fundamental H+H and ${\mathrm{H}}^{+}+{\mathrm{H}}^{\ensuremath{-}}$ collisions that neither four-body nor three-body classical methods describe satisfactorily.

Switching classical trajectory Monte Carlo method to describe two-active-electron collisions

A mechanism for producing hydrogen anions in a low density, low energy hydrogen plasma is proposed. The observation in a plasma ion source that the anion output is quadratically related to the Lyman-α radiation suggests that anions could be formed in collisions between atoms in the first excited state. A potential energy plot for the hydrogen molecule is developed that includes a high energy ionic state, comprising a proton and the weakly bound H−(2p2 3Pe) ion, revealing a path to stable anion formation.

H− formation by neutral resonant ionization of H(n=2) atoms

In the framework of the time-dependent local density approximation, applied to valence electrons, coupled non-adiabatically to molecular dynamics of ions, we investigate the microscopic mechanism of collisions between low energetic protons and ethylene. Not only the amount of energy lost by the projectile, but also the electronic and vibronic excitations of the target are identified. We find that the energy loss of the proton and excitation dynamics of the target depends sensitively on the impact energy.

Collision of Low Energy Proton with Ethylene

We present excitation cross sections in collision between two ground state hydrogen atoms using a four-body classical trajectory Monte Carlo model. Calculations were performed for impact energies in the range between 1.0 keV and 100 keV where the cross sections are highly relevant to the interest of the fusion research. Beside the total excitation cross sections for target and projectile we also present partial excitation cross sections into the 2s and 2p states of the target. The partial excitation cross sections are compared with the previously obtained theoretical and experimental results.

Excitation cross sections in a collision between two ground-state hydrogen atoms

Cross sections of electron-loss in H(ls)+ H(ls) collisions and total collisional destruction of H(2s) in H(ls) + H(2s) collisions are calculated by four-body classical-trajectory Monte Carlo (CTMC) method and compared with previous theoretical and experimental data over the energy range of 4–100 keV. For the former a good agreement is obtained within different four-body CTMC calculations, and for the incident energy Ep > 10keV, comparison with the experimental data shows a better agreement than the results calculated by the impact parameter approximation. For the latter, our theory predicts the correct experimental behaviour, and the discrepancies between our results and experimental ones are less than 30%. Based on the successive comparison with experiments, the cross sections for excitation to H(2p), single- and double-ionization and H- formation in H(2s)+H(2s) collisions are calculated in the energy range of 4–100keV for the first time, and compared with those in H(ls)+H(ls) and H(ls)+H(2s) collisions.

https://iopscience.iop.org/article/10.1088/0256-307X/25/8/032/pdf

Theoretical Investigation on Excitation, Ionization and Capture in H(1s,2s) +H(1s, 2s) Collisions

The cross sections for neutralization and detachment in H+–H− collisions in the energy range from 1.0 to 100 keV/u are calculated using the two-centre atomic orbital close-coupling (TC-AOCC) method. The results are compared with the available experimental and theoretical data. It is found that the neutralization cross section agrees well with the experimental data by Schon et al. [J. Phys. B 20 (1987) L759] and Melchert et al., [J. Phys. B 32 (1999) L139] especially at low energies. However, for the detachment process, our calculated cross section lies between the experimental data by Melchert et al. and by Peart et al. [J. Phys. B 9 (1976) 3047] for the energy below 15 keV/u. Above this energy, our result is smaller than the two experimental data. It is worth pointing out that there exists a large difference between these two experimental data and it is difficult to judge which data is more accurate. Therefore, a high-precision measurement for detachment cross sections is expected to resolve this discrepancy and to test the theoretical calculations.

Neutralization and Detachment in H+–H− Collisions

The single charge transfer process in 3He2+ + 4He collisions is investigated using the quantum-mechanical molecular-orbital close-coupling method, in which the adiabatic potentials and radial couplings are calculated by using the ab initio multireference single- and double-excitation configuration interaction methods. The differential cross sections for the single charge transfer are presented at the laboratorial energies E = 6 keV and 10 keV for the projectile 3He2+. Comparison with the existing data shows that the present results are better in agreement with the experimental measurements than other calculations in the dominant small angle scattering, which is attributed to the accurate calculations of the adiabatic potentials and the radial couplings.

Ab Initio Calculations of Differential Cross Sections for Single Charge Transfer in 3 He 2+ + 4 He Collisions

Charge transfer due to collisions of ground state O 3+ (2s 2 2p 2 P) ions with molecular hydrogen is investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method，and electronic and vibrational state-selective cross sections along with the corresponding differential cross sections are calculated for projectile energies of 100，500，1000 and 5000eV/u at the orientation angles of 25°，45° and 89°. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations were obtained with the spin-coupled valence-bond approach. The infinite order sudden approximation (IOSA) and the vibrational sudden approximation (VSA) are utilized to deal with the rotation of H 2 and the coupling between the electron and the vibration of H 2 . It is found that the distribution of vibrationally resolved cross sections with the vibrational quantum number v ′ of H + 2 ( v ′) varies with the increment of the projectile energy; and the electronic and vibrational state-selective differential cross sections show similar behaviors: there is a highest platform within a very small scattering angle，beyond which the differential cross sections decrease as the scattering angle increases and lots of oscillating structures appear，where the scattering angle of the first structure decreases as E -1/2 p with the increment of the projectile energy E p ; and the structure and amplitude of the differential cross sections are sensitive to the orientation of molecule H 2 ，which provides a possibility to identify the orientations of molecule H 2 by the vibrational state-selective differential scattering processes.

Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O 3+ with H 2

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Papers

Theoretical Investigation on Excitation, Ionization and Capture in H(1s,2s) +H(1s, 2s) Collisions

Neutralization and Detachment in H+–H− Collisions

Ab Initio Calculations of Differential Cross Sections for Single Charge Transfer in 3 He 2+ + 4 He Collisions

Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O 3+ with H 2