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Exchange-correlation analytic properties

Although the exact functional xc[Pa. Ppl remains an enigma, many of its analytic properties, ranging from obvious to subtle, are known [74]. For any possible electron densities, the exchange energy is strictly negative, while the correlation energy is nonpositive ... [Pg.679]

For a DCL sensor of this kind, the information about the analyte is distributed over the entire spectrum. The spectrum therefore represents a fingerprint of the analyte. To correlate the spectral changes with the analyte properties of interest (identity, quantity, purity), it is advantageous to use multivariate analyses techniques. In this regard, a DCL sensor is related to sensor arrays (1, 2]. However, contrary to sensor arrays with independent sensor units, a DCL sensor is comprised of compounds that are connected by exchange reactions. Furthermore, the various sensors of an array have to be analyzed separately, whereas a single UV-Vis or fluorescence measurement is sufficient for a DCL sensor. [Pg.169]


See other pages where Exchange-correlation analytic properties is mentioned: [Pg.312]    [Pg.103]    [Pg.118]    [Pg.111]    [Pg.268]    [Pg.162]    [Pg.344]    [Pg.63]    [Pg.200]    [Pg.40]    [Pg.351]    [Pg.679]    [Pg.688]    [Pg.690]    [Pg.203]    [Pg.154]    [Pg.343]    [Pg.203]    [Pg.109]    [Pg.127]    [Pg.451]    [Pg.208]    [Pg.460]    [Pg.82]    [Pg.1311]    [Pg.239]    [Pg.21]    [Pg.322]   
See also in sourсe #XX -- [ Pg.80 , Pg.679 ]




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Exchange correlation

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