MAGNESIUM

Download for use in GAUSSIAN and COLUMBUS packages.

The following basis set and potential were taken from:

L.F. Pacios and P.A. Christiansen, J. Chem. Phys.,
82, 2664 (1985).

Magnesium Relativistic Effective Potential and Basis set including the 2s, 2p, and 3s subshells in the valence space.

Basis Set

     Expn.    C(2s)	 C(3s)	    C(2p)

     19.33    -0.150688   0.031626
      2.148    0.689026  -0.172378
s     0.7270   0.408875  -0.246807
      0.2206   0.000928   0.156912
      0.07381  0.004047   0.803829
      0.02394 -0.001342   0.194328

     24.45                           0.110950
p     5.690                          0.399530
      1.699			     0.512729
      0.5505			     0.207695

Potential

     n    Expn.     C (AREP)       C (SO)

     2    2.951600  -15.626710
     2    3.732500   33.531194
s-p  2    4.811800  -36.073072
     1    9.919500    3.129634
     0    1.818500    1.938433
  
     2    1.132000   -0.000053    0.000014
p    2   27.305700   -1.932494    0.036054
     1   93.305600   -1.393847    0.042897