Abstract

The low-lying rovibrational states for the ground electronic state of Li 2K + were calculated using an ab initio variational solution of the nuclear Schrödinger equation. A discrete configuration interaction potential energy surface was generated and an analytical representation was obtained using a power series expansion. This force filed was embedded in the Eckart-Watson Hamiltonian from which rovibrational wavefunctions and eigenenergies were variationally calculated. An SCF dipole moment surface was generated and used to calculate absolute line intensities and square dipole moment matrix elements for some of the most intense transitions within the P, Q and R branches, between the vibrational ground state and the low-lying rovibrational states.

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