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SVWN functional

All of the predicted structures are at least reasonably good. The two hybrid functionals produce the best structures, in excellent agreement with the experimental geometry. The SVWN and SVWNS functionals both produce good structures, while the BLYP geometry is the least accurate. [Pg.120]

The correlation energy for a uniform electron gas can be obtained from quantum Monte Carlo calculations. A widely used functional, derived from such calculations, is that one from Vosko, Wilk, and Nusair [6]. Combined with the exchange funtional of Slater, it is the so-called LDA SVWN functional. [Pg.440]

See other pages where SVWN functional is mentioned: [Pg.143]    [Pg.147]    [Pg.183]    [Pg.195]    [Pg.200]    [Pg.205]    [Pg.208]    [Pg.247]    [Pg.262]    [Pg.7]    [Pg.127]    [Pg.131]    [Pg.167]    [Pg.176]    [Pg.179]    [Pg.184]    [Pg.189]    [Pg.191]    [Pg.192]    [Pg.233]    [Pg.248]    [Pg.180]    [Pg.313]    [Pg.654]    [Pg.366]    [Pg.168]   
See also in sourсe #XX -- [ Pg.180 , Pg.182 ]

See also in sourсe #XX -- [ Pg.462 ]



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Density functionals SVWN functional

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