SILICON


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).

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


Basis Set

     Expn.      C

     11.07     -0.000467
s     1.221    -0.270154
      0.2473    0.683803
      0.08624   0.491084
     
      6.671    -0.007374
p     2.120    -0.019697
      0.2975    0.496511
      0.08867   0.608811

Potential

     n    Expn.     C (AREP)     C (SO)

     2    1.868900  -54.564427
     2    2.113900  146.372750
s-d  2    2.452700  -88.331095
     1    3.880300    6.763541
     0    2.564400    3.112884
  
     2    2.480000  116.561664    0.951612
     2    2.977300 -224.598413   -1.963190
p-d  2    3.774000  138.228630    1.109414
     1    5.566400    2.852504   -0.052412
     0   10.313300    5.070758    0.003670
  
     2    1.621100   -0.675872   -0.020697
d    2    4.532100   -6.728598   -0.040496
     2   13.207600  -19.623865    0.034233
     1   39.969900   -6.586753    0.038934