화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.1, 165-168, 2001
Model potential calculations for the ground and various excited states of LiNa+
A theoretical investigation of the electronic structure of the molecular ion LiNa+ (adiabatic potential energy curves, rovibrational energies, spectroscopic constants and dipole moments) has been performed in the framework of a model potential method. Such information, not yet available to the best of our knowledge except for the ground state, constitutes the input data for simulations of above threshold dissociation of LiNa+ Although most of the energy curves are found to be dissociative, some present potential wells located at intermediate internuclear distances. A long-range extrapolation is proposed for the lowest states.