The electronic excitation energies for the Na, T, cluster and the associated oscillator strengths have been determined by effective core potential (ECP) calculations in the random phase approximation. A total of 20 allowed optical transitions have been computed: IT2 and 2Tz statescorrespond to the w
Interpretation of the absorption spectrum of Na8
✍ Scribed by V. Bonačić-Koutecký; M.M. Kappes; P. Fantucci; J. Koutecký
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 761 KB
- Volume
- 170
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The optically allowed transitions for three neutral Na, structures (Tdr DZd and Dti) and their oscillate; strength have been determined using the configuration-interaction procedure. The assignment to the observed optical response spectrum exhibiting a very intense transition at 494 nm and tine structure at = 590 and = 730 nm has been made using the calculated spectrum of the Td and related D,, structures. The antiprism form of NaB yields blue-shifted transitions with respect to the observed ones. The quantum-molecular approach has been compared with the semiclassical Mie-Dmde model.
📜 SIMILAR VOLUMES
The shifts of Fraunhofer lines of different chemical elements in a homogeneous medium with a plane monochromatic progressive adiabatic sound waves are derived. The calculations indicate that lines of neutral elements (6 ~< ;go ~< 14) with lower excitation potentials Zo~ = 0-2 eV are red shifted, tho