Quasirelativistic transition property calculations by the intermediate Hamiltonian method: Electronic transition dipole moments and radiative lifetimes in Te2
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 B1u states of Te2. 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.
- Publication:
-
Physical Review A
- Pub Date:
- April 2001
- DOI:
- 10.1103/PhysRevA.63.042511
- Bibcode:
- 2001PhRvA..63d2511Z
- Keywords:
-
- 31.25.-v;
- 31.30.Jv;
- 33.70.Ca;
- Electron correlation calculations for atoms and molecules;
- Relativistic and quantum electrodynamic effects in atoms and molecules;
- Oscillator and band strengths lifetimes transition moments and Franck-Condon factors