| Автор | J Oddershede |
| Автор | P Jorgensen |
| Автор | N H F Beebe |
| Дата выпуска | 1978-01-14 |
| dc.description | The lowest electronic transitions in H<sub>2</sub>, CH<sup>+</sup> and Be have been analysed in terms of the individual contributions to excitation energies and transition moments in a second-order polarisation propagator calculation and in a second-order diagrammatic calculation. These are based on both the full particle-hole propagator matrix and on the single-transition approximation. Collective effects, defined as sums of infinite series of irreducible self-energy diagrams, do not affect the excitation energies but change the intensities by up to 40 per cent. The cancellation effects among the second-order contributions to the excitation energy are substantial, indicating the importance of using methods using methods which are consistent through a certain order in the electronic repulsion. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Analysis of excitation energies and transition moments |
| Тип | paper |
| DOI | 10.1088/0022-3700/11/1/007 |
| Print ISSN | 0022-3700 |
| Журнал | Journal of Physics B: Atomic and Molecular Physics |
| Том | 11 |
| Первая страница | 1 |
| Последняя страница | 15 |
| Аффилиация | J Oddershede; Dept. of Chem., Aarhus Univ., Arhus C., Denmark |
| Аффилиация | P Jorgensen; Dept. of Chem., Aarhus Univ., Arhus C., Denmark |
| Аффилиация | N H F Beebe; Dept. of Chem., Aarhus Univ., Arhus C., Denmark |
| Выпуск | 1 |
