Institute for Theoretical Chemistry, University of Cologne |
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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 Unpublished: !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) |
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