CCL:G: LANL2DZ vs SDD

[Joslyn Y Kravitz <jyudenfr..umich.edu>]

 Sent to CCL by: Joslyn Y Kravitz [jyudenfr ~ umich.edu]
SDD is a triple zeta basis set and LanL2DZ is a double zeta basis set,
 which is likely why the SDD is better. I am not sure of the difference
 in
 how they treat relativistic effects.
 Joslyn Kravitz
 On Sun, 26 Feb 2006, zjwu zjwu a imr.edu wrote:
>  Sent to CCL by: "zjwu" [zjwu#imr.edu]
>  Hi, all,
>  I have maybe a naive question about the basis sets LANL2DZ and SDD which are the
>  standard basis sets in Gaussian package. I am now using the two basis sets to
>  calculate the systems containing 4d and 5d elements (including rare earth
>  elements).My question is:
>  What is the difference of the two basis sets in dealing with relativistic
>  effects and spin-orbit coupling effect?
>  The two basis sets use the same valence electrons for 4d and 5d elements, but it
>  seems SDD is better than LANL2DZ.
>  Thank you very much.
>  Zhijian WU>