| Texto completo | |
| Autor(es): |
Ornellas, F. R.
[1]
;
Andreazza, C. M.
;
Almeida, A. A. de
Número total de Autores: 3
|
| Afiliação do(s) autor(es): | [1] Universidade de São Paulo (USP). Instituto de Química - Brasil
Número total de Afiliações: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | ASTROPHYSICAL JOURNAL; v. 538, n. 2, p. 675-683, Aug. 2000. |
| Área do conhecimento: | Ciências Exatas e da Terra - Química |
| Assunto(s): | Estrutura molecular Equações de Schrodinger |
| Resumo | |
The A (2)Sigma(+) and X(2)Pi electronic states of the SiP species have been investigated theoretically at a very high level of correlation treatment (CASSCF/MRSDCI). Very accurate potential energy curves are presented for both states, as well as the associated spectroscopic constants as derived from the vib-rotational energy levels determined by means of the numerical solution of the radial Schrodinger equation. Electronic transition moment function, oscillator strengths, Einstein coefficients for spontaneous emission, and Franck-Condon factors for the A(2)Sigma(+)-X(2)Pi system have been calculated. Dipole moment functions and radiative lifetimes for both states have also been determined. Spin-orbit coupling constants are also reported. The radiative lifetimes for the A(2)Sigma(+) state, taking into account the spin-orbit diagonal correction to the X(2)Pi state, decrease from a value of 138 ms at v' = 0 to 0.48 ms at v' = 8, and, for the X(2)Pi state, from 2.32 s at v " = 1 to 0.59 s at v " = 5. Vibrational and rotational transitions are expected to be relatively strong. (AU) | |
| Processo FAPESP: | 98/01648-2 - Desenvolvimento e aplicação de métodos numéricos em astronomia |
| Beneficiário: | Carmen Maria Andreazza |
| Modalidade de apoio: | Bolsas no Brasil - Jovens Pesquisadores |