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Subject: Re: CCL:A question on DFT
To: qoajnv $#at#$ usc.es (Armando Navarro)
Date: Mon, 31 Jan 100 23:30:22 +0100 (MET)
Cc: chemistry: at :ccl.net
In-Reply-To: <01bf6c07$1300e5a0$eb4a90c1 |-at-| qogolem.usc.es> from "Armando Navarro" at Jan 31, 0 05:20:22 pm
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Yes, any density can be represented as a single slater determinant
(this is actually very easy to be seen) -- however you need a
complete one-particle basis set to represent the orbitals.

The thing to keep in mind is that in general there is no single slater
determinant BUILT FROM ORBITALS EXPANDED IN A GIVEN BASIS SET, which
represents the density of, say, the full-CI wavefunction in the
same basis set.

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