The Analytical Potential Energy Function for the Ground-state SiH Molecule

The molecular reaction dynamics theory and group theory are employed to attain the reasonable dissociation limit of the X2 ∏ state of SiH molecule.The equilibrium separations,the harmonic frequencies and the dissociation energies about the X2 ∏ state have been calculated through Gaussian 03 program packet by the methods of QCISD(T),QCISD,B3LYP with the basis sets 6-311G(df,pd),6-311G(df,2pd),6-311G(2df,pd)and 6-311G(2df,2pd).By the comparison of the attained results with the experiments,it is concluded that...