On the franck-condon effects in the absorption spectrum of C_10 H-8 anion. The analysis based on the ab Initio MCSCF method

摘要

The near-IR, visible and UV regions of the absorption spectrum of naphthalene anion (C_10H~-_8) are studied in terms of full optimized reaction space multiconfiguration self-consistent field method applied with Dunning's double-zeta basis set including polarization and diffuse functions on the all hydrogen atoms. Computed Franck-Condon activity of the al(nine) totally symmetric vibrations in the seven low-energy transitions is discussed and compared to the available experimental data.