Abstract
Full quantum charge transfer study of the process B3+ + He ® B2+ + He+ has been investigated in the collision energy range 1-102 eV using an ab-initio interaction potential. A new method to solve the Schrodinger equation in an adiabatic basis was used, where the radial and rotational coupling were taken into account, and the importance of the coupling between states of different symmetry was discussed. Moreover, by using the well known Landau-Zener model, it was concluded that the two state model cannot be applied for the present system, and this might indicate that such a model should be applied carefully for other systems when a charge transfer process is considered. Finally, the quantum total cross sections were compared with the previous published work of Gargaud and co-workers and a fair agreement was achieved.
Highlights
Charge transfer in atomic and molecular collisions has been intensively studied in the past few decades[1,2,3,4,5]
Work supported by CNPq, Brazil. *Present address: Centro de Ciências e Tecnologia (CCT) - Departamento de Matemática, Universidade Federal de São Carlos (UFSCar), C.P. 676, 13560-970 São Carlos - SP, Brazil
This paper aims to calculate the state-to-state total cross sections for the above process, in the collision energy ranging from 1 eV to 102 eV and using the renormalized Fox-Goodwin method as given by Braga and Belchior[21]
Summary
Charge transfer in atomic and molecular collisions has been intensively studied in the past few decades[1,2,3,4,5]. Herman and collaborators[11] have studied the CO2++Ne system by using the potential energy function calculated by Larsson et al.[12] for this single charge transfer process This latter work showed a quantitative agreement with recent experiments of cross molecular beams perform by Hamdan and Brenton[13], and has confirmed that the intermolecular potential of Larsson et al.[12], for CO2+/Ne collision is able to describe the energy separation of the minima and the equilibrium distance for the 13Π and 13Σ states. Due to the resolution of the energy, about 0.3 eV, the vibrational states were not fully resolved the important features of the population for the energy spectra were analysed For polyatomic molecules, such as NH3 and H2S colliding with He2+, the theoretical and experimental work of Fárník and co-workers[14] are the most recent advance in multiple charge transfer processes. The low collision energy used in the present calculations could be achieved by experimentalists for carrying out measurements in this energy range
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