Dissertação (mestrado)—Universidade de Brasília, Instituto de Física, 2008. / Submitted by Ruthléa Nascimento (ruthlea@bce.unb.br) on 2008-10-21T17:23:55Z
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2008_AlessandraSofiaKiametis.pdf: 490266 bytes, checksum: 598e22f6a76e8154d526ff23ac5543ae (MD5) / Este trabalho apresenta as constantes espectroscópicas rovibracionais para o íon molecular H+ 2 nos estados eletrônicos 1sσ, 5fπ, 5gπ, 6iπ, 6iφ and 7iσ. As energias eletrônicas do H+ 2 foram obtidas via solução da equação de Hamilton-Jacobi. Estas energias foram ajustadas através das funções de Rydberg generalizada e polinômios em coordenadas Bond Order. A partir das formas analíticas, as constantes
espectroscópicas rovibracionais para os estados eletrônicos em estudo foram calculadas
utilizando-se dois procedimentos distintos. O primeiro consiste em combinar as energias rovibracionais determinadas via solução da equação de Schrödinger nuclear com a equação espectroscópica. O segundo refere-se ao método de Dunham. Os resultados obtidos para o sistema H+ 2 no estado 1sσ estão completamente de acordo com os dados experimentais.
________________________________________________________________________________________ ABSTRACT / This work presents the rovibrational spectroscopic constants of the molecular ion H+ 2 in the eletronic states 1sσ, 5fπ, 5gπ, 6iπ, 6iφ and 7iσ. The H+ 2 eletronic energies were obtained from solution of Hamilton-Jacobi equation. The calculated energies were fitted using the extended Rydberg functions and polynomials in Bond Order coordinates. From the analytical forms, we evaluated the H+ 2 rovibrational spectroscopic constants, for all electronic states describe above, using two different procedures. The first was obtained combining the rovibrational energies, calculated through nuclear Schrodinger equation, and a spectroscopic equation. The second was determined using the Dunham method. The results obtained for the H+ 2 system in the eletronic state 1sσ are in a good agreement with the experimental data.
| Identifer | oai:union.ndltd.org:IBICT/oai:repositorio.unb.br:10482/1064 |
| Date | 28 March 2008 |
| Creators | Kiametis, Alessandra Sofia |
| Contributors | Gargano, Ricardo |
| Source Sets | IBICT Brazilian ETDs |
| Language | Portuguese |
| Detected Language | English |
| Type | info:eu-repo/semantics/publishedVersion, info:eu-repo/semantics/masterThesis |
| Source | reponame:Repositório Institucional da UnB, instname:Universidade de Brasília, instacron:UNB |
| Rights | info:eu-repo/semantics/openAccess |
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