Abstract
The dynamics of positron annihilation in molecular gases containing simple diatomics is studied within a quantum formulation and is implemented by treating the positron–molecule interaction via an ab initio, nonempirical approach for all the forces at play. The process is analysed for room temperature conditions of the ambient gas and the behaviour of the corresponding annihilation rate coefficients, Z eff, is studied in detail by considering the role of the dynamical coupling between the positron motion and the vibrational degree of freedom of the molecular partner.
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