Re: CCL:Spin-Orbit



 Dear Valentina,
 either Gamess or Molpro will do what you would like.
 best wishes,
 Kirk Peterson
 On Wednesday, June 11, 2003, at 01:00  AM, Valentina VETERE wrote:
 
 Dear all,
 
I'm looking for a Spin-orbit code that works with open-shell electrons, on molecular wavefunctions, in a non-relativistic limit and that give rice to monoconfigurational (1-determinant) wavefunction ..
 Any idea????
 valentina
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 --------------------------------------------
 Kirk A. Peterson
 Associate Professor
 Department of Chemistry
 Washington State University
 Pullman, WA 99164-4630
 Office: (509) 335-7867
 Fax:    (509) 335-8867
 kipeters(at)wsu.edu
 http://tyr0.chem.wsu.edu/~kipeters/
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