Autoionizing states of atomic boron
We present a B-spline K-matrix method for three-active-electron atoms in the presence of a polarizable core, with which it is possible to compute multichannel single-ionization scattering states with good accuracy. We illustrate the capabilities of the method by computing the parameters of several a...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2016 |
| País: | España |
| Institución: | Universidad Autónoma de Madrid |
| Repositorio: | Biblos-e Archivo. Repositorio Institucional de la UAM |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.uam.es:10486/677271 |
| Acceso en línea: | http://hdl.handle.net/10486/677271 https://dx.doi.org/10.1103/PhysRevA.93.042503 |
| Access Level: | acceso abierto |
| Palabra clave: | Autoionizing states Atomic boron Química |
| Sumario: | We present a B-spline K-matrix method for three-active-electron atoms in the presence of a polarizable core, with which it is possible to compute multichannel single-ionization scattering states with good accuracy. We illustrate the capabilities of the method by computing the parameters of several autoionizing states of the boron atom, with 2Se, 2Pe,o, and 2De symmetry, up to at least the 2p2 (1S) excitation threshold of the B II parent ion, as well as selected portions of the photoionization cross section from the ground state. Our results exhibit remarkable gauge consistency, they significantly extend the existing sparse record of data for the boron atom, and they are in good agreement with the few experimental and theoretical data available in the literature. These results open the way to extend to three-active-electron systems the spectral analysis of correlated wave packets in terms of accurate scattering states that has already been demonstrated for two-electron atoms in Argenti and Lindroth |
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