THE STUDY OF THE PROPERTIES OF THE GROUND- AND LOW-LYING EXCITED STATES OF ASH2, ${\rm ASH}_{2}^{+}$ AND ${\rm ASH}_{2}^{-}$

The properties of the ground and excited states of AsH2, and have been investigated by using symmetry-adapted-cluster (SAC)/symmetry-adapted-cluster configuration interaction (SAC-CI) method. The geometry of the ground state of AsH2 is optimized at SAC method with different basis sets. The calculated results with cc-pVTZ and cc-pVQZ basis sets are in very good agreement with the experimental and previous theoretical data. The geometry and the properties of eight low-lying electronic excited states of AsH2 are obtained at SAC-CI/cc-pVTZ and SAC-CI/cc-pVQZ level, including geometries, vertical excitation energies, adiabatic excitation energies, transition dipole moments, and oscillation strengths. Employing the same theoretical level as AsH2, the geometries, adiabatic ionization potentials (AIPs), and vertical ionization potentials (VIPs) of the ground and eight low-lying electronic states of are investigated as well as the geometries, vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) of nine electronic states of . Comparing with the available experimental or previous theoretical data, the SAC/SAC-CI/cc-pVTZ and SAC/SAC-CI/cc-pVQZ results are reliable for AsH2, and . The predicted results can afford the useful information for one to deeply investigate them from the spectral experiment.