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On the finite-field transition dipole moment calculations by effective Hamiltonian methods |
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| Authors: | A Zaitsevskii AP Pychtchev |
| Institution: | (1) Laboratory of Molecular Structure and Quantum Mechanics, Physical Chemistry, Chemical Department, M. Lomonosov Moscow State University, 119899 Moscow, Russia, RU |
| Abstract: | 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. Received: 11 May 1998 / Revised and Accepted: 20 July 1998 |
| Keywords: | 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 |
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