Spectroscopic ab initio investigation of the electronic properties of (SrK)+

Abstract

Ab initio calculation including Configuration Interaction (CI) approach has been used to carry out the Potential Energy Curves (PECs) and their spectroscopic constants (De well depth, Re the equilibrium distances, Te transition energies, ωe vibrational constant, ωeχe anharmonic constant and Be rotational constant) of 51 electronic states for different symmetries Σ+, Π and Δ of SrK+. The vibrational energies levels and their spacing, the permanent and transition dipole moments (PDM and TDM) have been also investigated. The molecular ion is considered as effective two-electron system. These valence electrons are modeled by a Core Polarization Potential (CPP) and Effective Core Potential (ECP) with l-dependent cut-off functions.