https://doi.org/10.1007/s100530050213
On the finite-field transition dipole moment calculations by effective Hamiltonian methods
Laboratory of Molecular Structure and Quantum Mechanics, Physical Chemistry, Chemical Department,
M. Lomonosov Moscow State University, 119899 Moscow, Russia
Corresponding author: a andrei@moleq.chem.msu.su
Received:
11
May
1998
Accepted:
20
July
1998
Published online: 15 December 1998
A simple finite-field scheme of calculations on electronic transition dipole moments in molecules by effective Hamiltonian methods is presented and discussed. The reliability of underlying approximations is analyzed by means of the quasidegenerate perturbation theory and corroborated by the results of pilot numerical applications.
PACS: 31.25.-v – Electron correlation calculations for atoms and molecules / 31.50.+w – Excited states / 33.70.Ca – Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1998
