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Non-local approximations NLDA

There are approximations that go beyond the LDA. They consider that the dependence xcip] may be non-local, i.e. Exc may depend on p at a given point (locality), but also on p nearby (non-locality). When we are at a point, what happens further off depends not only on p at that point, but also the gradient of p at the point, etc. ° This is how the idea of the gradient expansion approximation (GEA) appeared [Pg.591]

A breakthrough in the quality of results is represented by the following proposition of Perdew and Wang  [Pg.591]

If you do it this way - satisfaction is (almost) guaranteed, your results will agree very well with raperiment. [Pg.592]


See other pages where Non-local approximations NLDA is mentioned: [Pg.664]    [Pg.688]    [Pg.567]    [Pg.591]    [Pg.664]    [Pg.664]    [Pg.688]    [Pg.567]    [Pg.591]    [Pg.664]    [Pg.185]   


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Local approximation

Non-local

Non-locality

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