Gupta, D; Song, M-Y; Choi, H; Kwon, D-C; Baluja, KL; Tennyson, J; (2019) R-matrix study for electron scattering of beryllium dihydride for fusion plasma. Journal of Physics B: Atomic, Molecular and Optical Physics , 52 (6) , Article 065204. 10.1088/1361-6455/aafdc4.

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Abstract

We report the integral elastic, differential, momentum transfer, dissociative electron attachment and electronic and rotational excitation cross sections for the lowenergy electron impact on beryllium dihydride (BeH2) computed using the QuantemolN interface for driving the UK molecular R-matrix code. The energy of the projectile electron is in the range 0.1-10 eV. The effect of multichannel coupling is investigated by calculating the cross sections with various target models by increasing the number of target states in the trial wavefunction of the entire scattering system. The cross sections converge for the calculation with more than 15-target states. The vertical excitation energies calculated with the present model give excellent agreement with the EOM-CCSD calculations. Collisional frequencies are determined using the momentum transfer cross section for a Maxwell-Boltzmann distribution. From the collisional frequency, the transport properties such as mean free path, diffusivity and mobility are calculated for the temperature range of 100 to 500000 K. The cross section data and transport properties reported in this article are important for fusion plasma.

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