LAUSR.org creates dashboard-style pages of related content for over 1.5 million academic articles. Sign Up to like articles & get recommendations!

Collisional rate coefficients of SiH(X2Π) open-shell molecule induced by its collision with He(1S)

Photo from archive.org

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.

Keywords: rate coefficients; rate; collisional rate; sih open; coefficients sih; open shell

Journal Title: Chemical Physics Letters
Year Published: 2017

Link to full text (if available)


Share on Social Media:                               Sign Up to like & get
recommendations!

Related content

More Information              News              Social Media              Video              Recommended



                Click one of the above tabs to view related content.