Ab initio calculations of asymptotic dipole moment functions of some diatomic molecules at R → 0 have been carried out. It was achieved that in a range of small internuclear separations, the dipole moment functions of the molecules CO, NO, BF and BeNe for ground electronic states have an additional change of the sign.
In this paper, the shift and splitting of the energy levels in the circular polarized alternating electric field were modelled for an Ar atom. Moreover, calculations of the transition probabilities needed for obtaining the spectral line intensities and lifetimes were carried out. An anisotropy of the probabilities for transitions between Stark levels was investigated.
Ab initio calculations of the dipole moment functions are performed within the united atom approximation in the first-order perturbation theory for the ground electronic states of HF, HCl and HBr molecules in the range of small internuclear separations. The calculation results are used for correction of the semi-empirical dipole-moment functions of these molecules obtained earlier.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.