CCL: Polarization functions Ag atom



 Sent to CCL by: "Nuno A.G. Bandeira" [nuno.bandeira-*-ist.utl.pt]
 Anastasios Papadopoulos anastp.:.chem.auth.gr wrote:
 > Sent to CCL by: Anastasios Papadopoulos [anastp : chem.auth.gr]
 > Hi CCL subsscribers.
 >
 > I run Ag,Cu clusters using BP86 method and LANL2DZ basis set, in Gausssian
 03W
 > B-02 package.In addition, I added extrabasis in Cu atom
 (6-31G(3d)).Moreover, I
 > want to add an extra f polarization function in Ag atom.Could someone
 inform
 > me,which coefficients and exponennts exist for f function or where I can
 find
 > polarization functions for Ag atom?
 f exp.= 1.611 coef. =1
 Ehlers et al Chem. Phys. Lett. 1993,208(1,2),111
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 Nuno A. G. Bandeira, AMRSC
 Graduate researcher and molecular sculptor
 Inorganic and Theoretical Chemistry Group,
 Faculty of Science
 University of Lisbon - C8 building, Campo Grande,
 1749-016 Lisbon,Portugal
 http://cqb.fc.ul.pt/intheochem/nuno.html
 Doctoral student ()  IST,Lisbon
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