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RESEARCH PRODUCT
Quasirelativistic transition property calculations by the intermediate Hamiltonian method: Electronic transition dipole moments and radiative lifetimes inTe2
Ruvin FerberCh. TeichteilAndréi Zaitsevskiisubject
PhysicsDipoleAb initio quantum chemistry methodsQuantum mechanicsTransition dipole momentRadiative transferRotational–vibrational spectroscopyPerturbation theoryElectric dipole transitionAtomic physicsAtomic and Molecular Physics and OpticsMolecular electronic transitiondescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-03-20 | Physical Review A |