Plasma screening effects in molecular hydrogen: modified energies and lifetimes of doubly excited states
We perform a systematic study on the behaviour of energy positions and autoionization widths of metastable resonance states in the Hydrogen molecule subject to screened Coulomb interactions among all particles using an ab initio Feshbach configuration interaction method. We only focus on the Q1 seri...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2015 |
| País: | España |
| Institución: | Universidad Autónoma de Madrid |
| Repositorio: | Biblos-e Archivo. Repositorio Institucional de la UAM |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.uam.es:10486/672744 |
| Acceso en línea: | http://hdl.handle.net/10486/672744 https://dx.doi.org/10.1088/1742-6596/635/7/072026 |
| Access Level: | acceso abierto |
| Palabra clave: | Molecular orbitals Configuration interaction method Doubly excited state Ionization thresholds Química |
| Sumario: | We perform a systematic study on the behaviour of energy positions and autoionization widths of metastable resonance states in the Hydrogen molecule subject to screened Coulomb interactions among all particles using an ab initio Feshbach configuration interaction method. We only focus on the Q1 series of doubly excited states lying between the first H2 +(1sσg) and the second H2 +(2pσu) ionization thresholds, for several spectroscopic molecular symmetries 1,3Σg u, 1,3Πg, u and 1,3Δg, u. Special attention is given to the efficient and accurate method for the evaluation of screened Coulomb two-electron integrals in molecules when using configurations in terms of molecular orbitals described using a B-spline basis |
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