Various applications with ADF

Cr(NH3)6: Multiplet States
Cr(CO)5+CO: Basis Set Superposition Error
N2+: Localized Hole
NNO: Core-electron binding energies
HCl: Solvent Effects
N2 and PtCO: Electric Field, Point Charge(s), use of Basis keyword
CuH+: calculation of S2

 

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