Re: CCL:DFT questions



 	Dear Wolfram,
 	I am also interested in the topics you are discussing, especially
 in the MULTIDETERMINANTAL extension of DFT. I could propose you some
 references on this subject:
 	- from the classical ones with general discussion on the
 application of the DFT to open-shell systems:
 	P.S.Bagus, B.I.Bennet, Int. J. Quantum Chem., 9, 143-148 (1975)
 and     T.Ziegler, A.Rauk, Theor. Chim. Acta, 43, 261-271 (1977)
 	- to more recent discussions:
 	A.Savin, Beyond the Kohn-Sham determinant, in: Recent Advances in
 Density Functional Methods/ Ed. by D.P.Chong, World Scientific, Singapore,
 1996
 	A.D.Becke, A.Savin, H.Stoll, Theor. Chim. Acta, 91, 147-156 (1995)
 	A.Savin, On degeneracy, near-degeneracy and Density Functional
 Theory, in: Recent Developments and Applications of Modern Density
 Functional Theory/ Ed. by J.M.Seminario, Elsevier, 1996, p.327.
 	F.Moscardo, E.San-Fabian, Phys. Rev.A, 44(3), 1549-1553(1991)
 	Concerning your first question (excited states), you can find very
 useful discussions in:
 	E.K.U.Gross, L.N.Oliveira, W.Kohn, Phys.Rev.A,37(8),2805-2808 (1988)
 	E.K.U.Gross, L.N.Oliveira, W.Kohn, Phys.Rev.A,37(8),2809-2810 (1988)
         E.K.U.Gross, L.N.Oliveira, W.Kohn, Phys.Rev.A,37(8),2821-2833(1988)
 	C.Daul, Int. J. Quantum Chem., 52, 867-877 (1994)
 	A.Nagy, Int.J.Quantum Chem., Quantum Chem.Symp 29, 297-301 (1995)
 	Since you are also interested in the discussion of symmetry
 problems in DFT, I can propose you also a rewiev:
 	A.Gorling, Phys. Rev.A, 47(4), 2783-2799 (1993)
 	Of course, I propose you only the papers which I know, - you
 can find more references elsewhere.
 	Best regards,
 	Alexei
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 	Dr. Alexei Arbouznikov
         Ecole Nationale Superieure de Chimie,
 	Laboratoire de Materiaux Catalytiques et Catalyse en
 	Chimie Organique, UMR 5618 CNRS-ENSCM - Prof. F.Fajula,
         8, rue de l'Ecole Normale
         34296 Montpellier, Cedex 5
         FRANCE
         Telephone: (33) 4-67-14-72-68
         Fax:   (33) 4-67-14-43-49
         E-mail: alexei \\at// palladium.enscm.fr
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