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Application to simple metals

In fact, the computational advantage of a density-only scheme such as TF over the KS approach is so important that this type of approximation has been recently revived in connection with CP simulations [250]. Applications to simple metal clusters are reported in Ref. [251]. Unfortunately, the scheme developed in [250] seems to be limited to nearly free-electron systems such as alkali metals and aluminum, and for clusters the description is not quantitative, even for relatively simple properties such as equilibrium geometries. [Pg.131]


See other pages where Application to simple metals is mentioned: [Pg.471]    [Pg.471]   
See also in sourсe #XX -- [ Pg.342 ]




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