Electronic transition dipole moment and radiative lifetime calculations of lithium dimer ion-pair states

Abstract

We present here a computational study of the lifetimes of the ion-pair n1Σg+, n = 3–6, states of lithium dimer. The lifetimes are calculated using ab initio electronic transition dipole moment functions and combination of experimental and ab initio potential curves. The ab initio calculations are carried out using the full configuration-interaction method. The lifetime calculations include the radiative contributions of all the allowed bound–bound and bound-free transitions to lower electronic states. In addition, to test the computational methods used in this work, we have calculated the lifetimes of levels of the lowest excited singlet, A1Σu+, state of lithium dimer.