Subject: Re: DFT Orbital

From: [email-masked] (Carles Bo)
Date: Wed, 21 Jul 1999 11:04:37 +0200 (MDT)

>  Dear CCL Netters,
>
>       I was told that the so called "orbital
>  energies" in DFT do not have the same meaning
>  as they do in standard Hartree-Fock.  What 
>  does it really mean by this? Can anyone explain 
>  it in more detail?  Thank you very much in
>  advance!
>
>                             Han-Yen Lee 
>                                [email-masked] 
  Dear Han-Yen Lee :
  
  Take a look at a recent paper from Ralf Stowasser and Roald Hoffmann,
  entitled "What do the Kohn-Sham Orbitals and Eigenvalues mean ?"
  JACS, 1999, 121, 3414-3420.
  
  Hope it helps,

________________________________________________________________

  Carles Bo
  Dept. de Quimica Fisica i Inorganica
  Universitat Rovira i Virgili          Voice (34) 977 55 95 69
  Pl. Imperial Tarraco, 1               FAX   (34) 977 55 95 63
  43005 - Tarragona                 
  SPAIN                         http://www.quimica.urv.es/~w3qfi
                       http://quimica.urv.es/cgi-bin/card?bo+qfi
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