Spectroscopic properties and vibrational levels for X2Σ+ and A2Π states of CS+ molecule: A multi-reference configuration interaction study

The potential energy curves (PECs) of the states of CS+ have been calculated using a multi-reference configuration interaction method. To obtain more accurate PECs, we employ very large basis sets of aug-cc-pCV5Z for both C and S atoms. Vibrational energy levels and spectroscopic parameters for the CS+ are determined and compared with available experimental values. The present results support previous identifications of the observed vibrational energy levels. The PECs are fitted into analytical potential energy functions for convenient future application.