研究目的
The aim of this study is to calculate the near-equilibrium potential energy of the lowest electronic states of diatomic molecule zinc sulfide ZnS.
研究成果
The ab-initio MRCI+Q calculation of permanent dipole moment and the potential energy curves was investigated for 21 singlets, and triplet electronic states for diatomic molecule zinc sulfide ZnS. The study includes plots of these curves, and the spectroscopic constants Re, ωe, Te, and Be of the investigated electronic states which are compared with the results of other studies when available. The spectroscopic constants for 7 states are given here for the first time.
研究不足
The confirmation of these theoretical investigated data can be done by a future experiment for these electronic states of the molecule ZnS.