Relativistic two-electron contributions within exact two-component theory Article Swipe
Xubo Wang
,
Chaoqun Zhang
,
Junzi Liu
,
Lan Cheng
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1063/5.0268348
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1063/5.0268348
The development of relativistic exact two-component (X2C) theory is briefly reviewed, with an emphasis on cost-effective treatments of relativistic two-electron contributions by means of model potential (MP) techniques and closely related atomic mean-field (AMF) approaches. The correct MP or AMF contribution to the electronic energy is elucidated. The performance of one-center approximations to relativistic two-electron contributions is carefully assessed using benchmark calculations of molecular properties.
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- 153
- OpenAlex ID
- https://openalex.org/W4414466901
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Relativistic two-electron contributions within exact two-component theoryWork title
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articleOpenAlex work type
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enPrimary language
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2025Year of publication
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2025-09-01Full publication date if available
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Xubo Wang, Chaoqun Zhang, Junzi Liu, Lan ChengList of authors in order
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153Number of works referenced by this work
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