VARIATIONAL CALCULATIONS OF ROVIBRATIONAL STATES OF LI2K+

The low-lying rovibrational states for the ground electronic state of Li2K+ were calculated using an ab initio variational solution of the n uclear Schrodinger equation. A discrete configuration interaction pote ntial energy surface was generated and an analytical representation wa s obtained using a power series expansion. This force field was embedd ed in the Eckart-Watson Hamiltonian from which rovibrational wavefunct ions and eigenenergies were variationally calculated. An SCF dipole mo ment surface was generated and used to calculate absolute line intensi ties and square dipole moment matrix elements for some of the most int ense transitions within the P, Q and R branches, between the vibration al ground state and the low-lying rovibrational states.