State-selective charge exchange cross sections in Be$$^{4+} -\hbox {H}(2\textit{lm})$$ collision based on the classical trajectory Monte Carlo method

Abstract

A three-body classical trajectory Monte Carlo method is used to calculate the nl state-selective charge exchange cross sections in $$\hbox {Be}^{\mathrm {4+}}+$$ Be 4 + + H(2lm) collisions in the energy range between 10 and 200 keV/amu. We present partial cross sections for charge exchange into $$\hbox {Be}^{\mathrm {3+}}$$ Be 3 + (nl) $$(\textit{nl} = 2s, 2p, 3s, 3p, 3d, 4s, 4p, 4d, 4f)$$ ( nl = 2 s , 2 p , 3 s , 3 p , 3 d , 4 s , 4 p , 4 d , 4 f ) states as a function of impact energy. Our results are compared with the previous classical and quantum-mechanical results. We show that the classical treatment can able to describe reasonably well the charge exchange cross sections. Graphic abstract

Classical and semiclassical calculations of state-selective cross sections for electron capture and excitation in Be4++H(2s) collisions

“…Our total CTMC cross sections also show very good agreement with the recent CTMC calculation of Ref. [7]. However, we find noticeable differences with the Atomic Orbital Close Coupling calculation of Igenbergs [46], which may be due to an overpopulation of the excited levels of Be 3+ in that calculation, as previously found in Ref.…”

“…We have also checked that the nl partial cross sections of Ref. [7] are practically identical to those of our m-CTMC calculation for n = 2-4. To further discuss the mechanism of the EC process, we have considered, as for the excitation reactions, the corresponding histories of the collision obtained in the GTDSE calculation.…”

“…The application of this technique is based on collisional-radiative models, the accuracy of which also relies on that of the underlying atomic data [6], including cross sections for excitation and ionization in H collisions with plasma ions. Collisions with Be ions are particularly relevant because Be is a plasma facing material of tokamaks, which has motivated new calculations of state-selective cross sections [7][8][9]. In this respect, collisions of Be 4+ ions with H are the benchmark systems of the Coordinated Research Project of the IAEA Data for Atomic Processes of Neutral Beams in Fusion Plasma.…”

“…[18,19]; these works pointed out that the differences between h-CTMC and m-CTMC cross sections for EC and ionization are smaller than those found for collisions with H(1s). Recently, Ziaeian and Tőkésy [7] have reported EC cross sections for Be 4+ + H(2l ) calculated using the m-CTMC method.…”

Calculation of Ionization, Excitation and Electron Capture Cross Sections for Be4++H(2s, 2p) Collisions

“…Although scattering cross sections for ion collisions with H (n = 2) are required in the CXRS diagnostics, few theoretical works have considered collisions with excited hydrogen targets. In particular, collisions with Be 4 + projectiles have been studied under the molecular orbital close-coupling (MOCC), [7] atomic orbital close-coupling (AOCC), [8,9] wavepacket convergent closecoupling (WP-CCC), [10][11][12] the numerical solution of the timedependent Schrödinger equation (GTDSE) [13] and CTMC [5,[13][14][15] approaches. At the same time, and due to its toxicity, no experimental measurements in Be 4 + collisions are available.…”