| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374705 | Chemical Physics | 2011 | 6 Pages |
Abstract
⺠We discuss the 4-component relativistic total (TEs) and correlation (CEs) energies. ⺠The CIs with and without no virtual pair approximation (NVPA) are considered. ⺠TEs and CEs with NVPA for He-like ions depend on the methods generating the AOs. ⺠Without NVPA the values are independent of how the AOs are generated. ⺠The results show the importance of contributions to energetics from the Dirac sea.
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Authors
Hiroshi Tatewaki, Yoshihiro Watanabe,