Configuration-based multi-reference second order perturbation theory
Various configuration-based multi-reference second order perturbation approaches were investigated and a new scheme averting intruder states was suggested. The codes based on these schemes were tested by example calculations.
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| Veröffentlicht in: | Science China. Chemistry 2000-12, Vol.43 (6), p.567-575 |
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| container_end_page | 575 |
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| container_issue | 6 |
| container_start_page | 567 |
| container_title | Science China. Chemistry |
| container_volume | 43 |
| creator | Wang, Yubin Gan, Zhengting Su, Kehe Wen, Zhenyi |
| description | Various configuration-based multi-reference second order perturbation approaches were investigated and a new scheme averting intruder states was suggested. The codes based on these schemes were tested by example calculations. |
| doi_str_mv | 10.1007/BF02969504 |
| format | Article |
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| identifier | ISSN: 1006-9291 |
| ispartof | Science China. Chemistry, 2000-12, Vol.43 (6), p.567-575 |
| issn | 1006-9291 1674-7291 1862-2771 1869-1870 |
| language | eng |
| recordid | cdi_wanfang_journals_zgkx_eb200006002 |
| source | Springer Nature - Complete Springer Journals; Alma/SFX Local Collection; ProQuest Central |
| subjects | Configurations Perturbation theory |
| title | Configuration-based multi-reference second order perturbation theory |
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