Subject: Re: CCL:A question on DFT

From: Stefan Grimme <[email-masked]>
Date: Tue, 01 Feb 2000 10:25:40 +0100

[email-masked] wrote:
> 
> Yes, any density can be represented as a single slater determinant
If the density should correspond to a pure
spin state (pure <s**2>) it can in general NOT
be represented by a single determinant and this
has nothing to do with a finite basis.

___________________________________________
       Prof. Dr. Stefan Grimme
    Organisch-Chemisches Institut
     (Abt. Theoretische Chemie)
  Westfaelische Wilhelms-Universitaet
         Corrensstrasse 40
         D-48149 Muenster
     Tel (+49)-251-83 36512/33241
     Fax (+49)-251-83 36515
     Email:[email-masked]
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