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Up Directory CCL March 04, 1997 [014]
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From:  duarteh-0at0-CHIMCN.UMontreal.CA (Duarte Helio)
Date:  Mon, 3 Mar 1997 17:37:26 -0500 (EST)
Subject:  Numerical Atomic calculation




   
    I would very appreciate if someone could help me in the following:

    I have to perform a relativistic atomic numerical calculation.
I need a program that integrate numerically the one-electron radial
schrodinger equation associated with each spin-orbital to be used as
reference orbitals. I have interest in the results using the local
spin density limit.

    Thanks;
       Helio

--

  ***************************************************************************
  * From  Helio Anderson Duarte                                             *
  *       Department of chemistry     Departement de Chimie                 *
  *       University of Montreal      Universite de Montreal                *
  *       C.P. 6128, succ A           FAX (514) 343-2468                    *
  *       Montreal, Quebec            Phone (514) 343-6111  Poste 3994      *
  *       H3C3J7                      internet: duarteh %! at !%
chimcn.umontreal.ca *
  *       Canada                                                            *
  ***************************************************************************



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