Quasirelativistic transition property calculations by the intermediate Hamiltonian method: Electronic transition dipole moments and radiative lifetimes inTe2

Abstract

We present a quasirelativistic method of ab initio calculations on molecular excited states and electronic transition moments within the relativistic effective potential approximation, based on the construction of intermediate Hamiltonians and spin-free one-particle transition density matrices by means of the many-body multipartitioning perturbation theory. The method is applied to describe the electronic transitions involved in the radiative decay of the ${A0}_{u}^{+},$ ${B0}_{u}^{+},$ and ${B1}_{u}$ states of ${\mathrm{Te}}_{2}.$ Good agreement of the computed transition dipole moment functions with their empirical counterparts is achieved. Theoretical radiative lifetime estimates for several low-lying rovibrational levels of the states under study are reported and compared with experimental collisionless lifetimes.