The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems
2020 ◽
Vol 22
(28)
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pp. 15805-15830
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Keyword(s):
The one-electron self-interaction error (SIE) is analysed for 74 Density Functional Theory (DFT) approximations in a series of novel one-electron model systems revealing new aspects of the SIE that should be considered in future DFT developments.
2012 ◽
Vol 24
(9)
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pp. 099601
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Keyword(s):
Keyword(s):
2016 ◽
Vol 63
(6)
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pp. 465-471
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Keyword(s):
2004 ◽
Vol 69
(4)
◽
pp. 811-821
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2002 ◽
Vol 106
(36)
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pp. 8471-8478
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Keyword(s):
2011 ◽
Vol 76
(3)
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pp. 395-406
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