Re: CCL:A question on DFT

From: Stefan Grimme <grimmes %-% at %-% uni-muenster.de>
Organization: Westfaelische Wilhelms-Universitaet Muenster
Subject: Re: CCL:A question on DFT
Date: Tue, 01 Feb 2000 10:25:40 +0100

Christoph.van.Wuellen %-% at %-% ruhr-uni-bochum.de 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.
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        Prof. Dr. Stefan Grimme
     Organisch-Chemisches Institut
      (Abt. Theoretische Chemie)
   Westfaelische Wilhelms-Universitaet
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