Abstract New adiabatic potential energy surfaces (PESs) for 2 A ′ and 2 A ″ states of SiH(X 2 Π )-He( 1 S ) complex have been calculated at the… Click to show full abstract
Abstract New adiabatic potential energy surfaces (PESs) for 2 A ′ and 2 A ″ states of SiH(X 2 Π )-He( 1 S ) complex have been calculated at the restricted coupled cluster level of theory including single, double and triple excitation [RCCSD(T)]. The RKHS method was used for the analytic fit of these PESs. The resulting PESs were employed later in the close-coupling approach for the computation of the inelastic integral cross sections which take into account the fine-structure of the SiH radical. Scattering calculations, are done on a grid of collision energies large enough to ensure converged state-to-state rate coefficients for the temperature ranging from 8 K up to 300 K.
               
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