Quasirelativistic transition property calculations by the intermediate Hamiltonian method: Electronic transition dipole moments and radiative lifetimes in Te-2 - art. no. 042511

摘要

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-foe 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 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. [References: 47]