Orbital Picture in Molecular Inner-Shell Excited States of Rydberg-Valence Mixed Character
Fuente:
Redalyc
Guardado en:
| Autor principal: | |
|---|---|
| Formato: | Artículo científico |
| Lenguaje: | en |
| Publicado: |
Sociedade Brasileira de Física
2005
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1876422918107299840 |
|---|---|
| author | Nobuhiro Kosugi |
| author_facet | Nobuhiro Kosugi |
| contents | Orbital Picture in Molecular Inner-Shell Excited States of Rydberg-Valence Mixed Character Nobuhiro Kosugi Física, Astronomía y Matemáticas The core-to-s* excited state is repulsive for the bond elongation; on the other hand, the core ionized state andthe core-to-p* state are bound and the core-to-Rydberg states are almost parallel to the potential energy curveof the core ionized state. Thus, the core-electron excitation to the unoccupied s* orbital can be mixed with theone-electron Rydberg or continuum orbital, as dependent on the bond distance, and even with the unoccupied p*orbital in some cases. Within the framework of one-electron picture, we show s* orbitals mixed with Rydbergcharacter in the 1s excitation of O2 and CH3F, and Rydberg orbitals mixed with valence character in the 1sexcitation of CH4, CO2, and N2O. 2005 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46435608 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.4A Vol.35 |
| format | Artículo científico |
| id | redalyc_46435608 |
| institution | Redalyc |
| language | en |
| publishDate | 2005 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Orbital Picture in Molecular Inner-Shell Excited States of Rydberg-Valence Mixed Character Nobuhiro Kosugi Física, Astronomía y Matemáticas Orbital Picture in Molecular Inner-Shell Excited States of Rydberg-Valence Mixed Character Nobuhiro Kosugi Física, Astronomía y Matemáticas The core-to-s* excited state is repulsive for the bond elongation; on the other hand, the core ionized state andthe core-to-p* state are bound and the core-to-Rydberg states are almost parallel to the potential energy curveof the core ionized state. Thus, the core-electron excitation to the unoccupied s* orbital can be mixed with theone-electron Rydberg or continuum orbital, as dependent on the bond distance, and even with the unoccupied p*orbital in some cases. Within the framework of one-electron picture, we show s* orbitals mixed with Rydbergcharacter in the 1s excitation of O2 and CH3F, and Rydberg orbitals mixed with valence character in the 1sexcitation of CH4, CO2, and N2O. 2005 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46435608 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.4A Vol.35 |
| title | Orbital Picture in Molecular Inner-Shell Excited States of Rydberg-Valence Mixed Character |
| topic | Física, Astronomía y Matemáticas |
| url | https://www.redalyc.org/articulo.oa?id=46435608 |