Institute for Theoretical Chemistry, University of Cologne

Pseudopotentials, ECPs

Pseudopotential ECP28SDF for Zn

!  Q=2., SEFIT, DF, Ref A5.
ECP,Zn,28,3,0;
1; 2,1.000000,0.000000; 
2; 2,1.500000,14.936800; 2,0.750000,-2.626600; 
2; 2,1.500000,11.432900; 2,0.750000,-1.493900; 
2; 2,0.750000,1.169000; 2,0.375000,0.370700; 
! References:
! Unpublished:
! [A5] G. Igel-Mann, Doktorarbeit (1987)


Available basis sets for Zn, ECP28SDF:

ECP28MWB_GUESS (ECP28SDF_GUESS)
ECP28SDF



 





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