Electronic spectra of EuF studied by a four-component relativistic configuration interaction method

摘要: The electronic structure of the EuF molecule is investigated using a four-component relativistic general open-shell configuration interaction method. All low-lying excited states below 3.0 eV are characterized by applying f-shell Omega decomposition method, which was proposed present authors to analyze spectra GdF. ground ninefold degenerate and expressed in terminology as X4[(4f7)(6s1)]Ω. superscript (4) here denotes maximum Ω value. angular momentum projected onto molecular axis (Ω) runs from 4 −4, represented symbolically gross atomic orbital populations Eu moiety (4f)7(6s)1. These features consistent with term X9Σ that assigned experimentally LS-coupling scheme. Similarly, sevenfold first a3[(4f7)(6s1)]Ω, corresponding a7Σ term. Dmitriev et al. observed three Ω2, Ω1, Ω3 above calculated states, A4[(4f 7)1/2(6p1)3/2 + …]2, 7)−1/2(6p1)3/2 …]1, B4[(4f 7)5/2(6p1+5d1)1/2 …]3, are, respectively, most plausible identifications given have large oscillator strengths X families.