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A theoretical calculation of the laser-induced fluorescence excitation spectrum from X∼2E→A∼2A1 is carried out for CH 3 O and CD 3 O using a transition dipole moment surface expanded up to second order. The vibronic form of these operators is obtained using symmetry arguments. The A∼2A1 vibrational levels are calculated using Van Vleck perturbation theory, and the latter is used to...
The performance of different choices of parametrization for the quasidiabatic Hamiltonian approach of Köppel et al. (Adv Chem Phys 57:59, 1984) is studied for the $${\tilde X}^2A_1$$ and $${\tilde A}^2B_2$$ states of the formyloxyl radical, $$\hbox{HCO}_2$$ . Two basic classes of parametrization are analyzed. In the first (vertical), the model Hamiltonian is constructed in such a way...
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