The theory of density scaling is presented with an extension to multi-component densityfunctional theory. Via density scaling a new Kohn-Sham scheme is constructed.It can be shown that there exists a value of the scaling factor for which the correlationenergy disappears. Therefore exchange energy has to be determined instead of theexchange-correlation energy and it can be calculated very accurately. KLI methodincorporating correlation is proposed.
|Title of host publication||Theoretical and Computational Developments in Modern Density Functional Theory|
|Publisher||Nova Science Publishers, Inc.|
|Number of pages||11|
|Publication status||Published - Oct 1 2012|
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