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Current density exchange-correlation hole

Currently, research in our laboratory continues on real-space models of exchange and correlation hole functions in inhomogeneous systems. We anticipate that this work will ultimately generate completely non-empirical parameter-free beyond-LDA density functional theories. The quality of molecular dissociation energies and related properties obtainable with existing semi-empirical gradient-corrected DFTs approaches chemical accuracy, and we hope these future theoretical developments will continue this trend. [Pg.178]

See other pages where Current density exchange-correlation hole is mentioned: [Pg.19]    [Pg.83]    [Pg.97]    [Pg.101]    [Pg.148]    [Pg.164]    [Pg.2]    [Pg.66]    [Pg.80]    [Pg.84]    [Pg.681]    [Pg.610]    [Pg.148]    [Pg.164]    [Pg.272]    [Pg.5]    [Pg.82]    [Pg.93]    [Pg.65]    [Pg.76]    [Pg.298]    [Pg.41]    [Pg.242]    [Pg.166]    [Pg.105]    [Pg.386]    [Pg.61]   
See also in sourсe #XX -- [ Pg.272 ]



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Correlation holes

Current density exchange

Density correlation

Exchange correlation

Exchange current

Exchange density

Exchange holes

Hole density

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