Theoretical study of spectroscopic constants and transition properties of silicon hydride cation

Volume: 1165, Pages: 318 - 325
Published: Aug 1, 2018
Abstract
The potential energy curves and dipole moments for the lowest seven Λ−S states correlating to three dissociation limits Si+(P2u)+H(Sg2), Si+(Pg4)+H(Sg2), and Si(Dg1)+H+(Sg1) of SiH+ cation are computed using multi-reference configuration interaction plus Davidson corrections method with the AWCV5Z-DK basis set. By solving the radical Schrödinger equation, the spectroscopic parameters of these states are obtained, which are in excellent agreement...
Paper Details
Title
Theoretical study of spectroscopic constants and transition properties of silicon hydride cation
Published Date
Aug 1, 2018
Volume
1165
Pages
318 - 325
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