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http://hdl.handle.net/1843/64006| Tipo: | Artigo de Periódico |
| Título: | Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule |
| Autor(es): | Leonardo Gabriel Diniz Nikita Kirnosov Alexander Alijah José Rachid Mohallem Ludwik Adamowicz |
| Resumen: | A very accurate dipole moment curve (DMC) for the ground X1 Rþ electronic state of the 7LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC – the most accurate to our knowledge – and the corresponding highly accurate potential energy curve are used to calculate the transition energies, the transition dipole moments, and the Einstein coefficients for the rovibrational transitions with DJ ¼ 1 and Dv 6 5. The importance of the non-adiabatic effects in determining these properties is evaluated using the model of a vibrational R-dependent effective reduced mass in the rovibrational calculations introduced earlier (Diniz et al., 2015). The results of the present calculations are used to assess the quality of the two complete linelists of 7 LiH available in the literature. |
| Asunto: | Momentos dipolares Hidreto de lítio |
| Idioma: | eng |
| País: | Brasil |
| Editor: | Universidade Federal de Minas Gerais |
| Sigla da Institución: | UFMG |
| Departamento: | ICX - DEPARTAMENTO DE FÍSICA |
| Tipo de acceso: | Acesso Restrito |
| Identificador DOI: | https://doi.org/10.1016/j.jms.2016.03.001 |
| URI: | http://hdl.handle.net/1843/64006 |
| Fecha del documento: | 2016 |
| metadata.dc.url.externa: | https://www.sciencedirect.com/science/article/pii/S0022285216300297 |
| metadata.dc.relation.ispartof: | Journal of Molecular Spectroscopy |
| Aparece en las colecciones: | Artigo de Periódico |
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