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Volumn 20, Issue 1, 1999, Pages 31-50

From explicit to implicit density functionals

Author keywords

Atomic correlation energies; Density functional theory; Exchange correlation potential; Optimized potential method; Van der Waals forces

Indexed keywords


EID: 0010309669     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19990115)20:1<31::AID-JCC6>3.0.CO;2-P     Document Type: Article
Times cited : (183)

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    • note
    • H, it is possible to eliminate a further class of diagrammatic contributions from eq. (42); i.e., the tadpole diagrams (for details see ref. 71). For the present purpose of a lower order expansion, however, this step is not particularly helpful.
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    • x, in this case, only eliminates the self-interaction energy of the two electrons. Nevertheless, the spectra of excited states that are obtained from the multiplicative OPM and the nonlocal HF potential are quite different, which manifests itself in the correlation energies of Table V.
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