| Автор | T A Isaev |
| Автор | N S Mosyagin |
| Автор | M G Kozlov |
| Автор | A V Titov |
| Автор | E Eliav |
| Автор | U Kaldor |
| Дата выпуска | 2000-11-28 |
| dc.description | Transition energy calculations for low-lying states of Pb and Pb<sup>2+</sup> by the four-component versions of the Fock-space RCC-SD and PT2/CI methods are reported. Contributions of valence and core electron correlation are studied in all-electron calculations with the Dirac-Coulomb Hamiltonian. The accuracy of our generalized RECP and the RECP of Christiansen and co-workers is tested. The consideration of only one- and two-body amplitudes for valence electrons in the RCC method for Pb is shown not to be sufficient to reproduce valence excitations within 100-300 cm<sup>-1</sup>. Correcting RCC-SD results by estimated contributions of triple and quadruple excitations yields an accuracy of about 200 cm<sup>-1</sup>. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Accuracy of RCC-SD and PT2/CI methods in all-electron and RECP calculations on Pb and Pb<sup>2+</sup> |
| Тип | paper |
| DOI | 10.1088/0953-4075/33/22/315 |
| Electronic ISSN | 1361-6455 |
| Print ISSN | 0953-4075 |
| Журнал | Journal of Physics B: Atomic, Molecular and Optical Physics |
| Том | 33 |
| Первая страница | 5139 |
| Последняя страница | 5149 |
| Выпуск | 22 |
