| Автор | Alfredo Pasquarello |
| Автор | Mark S Hybertsen |
| Автор | Roberto Car |
| Дата выпуска | 1996-01-01 |
| dc.description | Si 2p core-level shifts for a series of molecules are calculated within the local density approximation to density functional theory. Using a pseudopotential approach, the shifts are calculated both in the initial-state approximation and including core-hole relaxation effects. Overall, calculated Si 2p shifts show good agreement with experiment. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Si 2p core-level shifts in small molecules: a first principles study |
| Тип | paper |
| DOI | 10.1088/0031-8949/1996/T66/018 |
| Electronic ISSN | 1402-4896 |
| Print ISSN | 0031-8949 |
| Журнал | Physica Scripta |
| Том | 1996 |
| Первая страница | 118 |
| Последняя страница | 120 |
| Выпуск | T66 |
