ALUMINUM

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).

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

Basis Set


     Expn.     C

     9.351    -0.002138
s    0.9572   -0.226407
     0.1586    0.752703
     0.05381   0.393166
 
     3.906    -0.008570
p    1.576    -0.015353
     0.1977    0.485440
     0.05730   0.622006

Potential


     n    Expn.     C (AREP)      C (SO)

     2    1.563100  -56.205213
     2    1.771200  149.689955
s-d  2    2.062300  -91.454394
     1    3.358300    3.728949
     0    2.130000    3.037994
  
     2    1.823100   93.675606    0.756216
     2    2.124900 -189.888968   -1.473509
p-d  2    2.570500  110.248104    0.822626
     1    1.757500    4.199596   -0.044314
     0    6.769300    5.003356    0.003408
  
     2    1.221100   -0.537981   -0.001389
d    2    3.368100   -5.459756    0.002133
     2    9.750000  -16.655343    0.003977
     1   29.269300   -6.475215    0.032530