Institute for Theoretical Chemistry, University of Cologne

Pseudopotentials, ECPs

Basis set ECP28SDF for Zn, ECP28SDF

!  (3s3p1d)/[3s3p1d]-Basissatz fuer PP. von Ref A5.
s,Zn,0.717675,0.203735,0.060278;
p,Zn,1.244121,0.172988,0.049865;
d,Zn,0.460000;
! References:
! Unpublished:
! [A5] G. Igel-Mann, Doktorarbeit (1987)


 





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