PHOSPHORUS

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).

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

Basis Set


     Expn.       C

     14.10     -0.001104
s     1.502    -0.283692
      0.3242    0.697355
      0.1135    0.489109
      
      8.140    -0.008697
p     2.648    -0.021820
      0.4016    0.517707
      0.1218    0.587071

Potential


     n    Expn.     C (AREP)     C (SO)
 
     2    2.282400  -58.049996
     2    2.620200  161.875879
s-d  2    3.108000  -98.196435
     1    5.006600    6.340473
     0    3.273300    3.029314
 
     2    3.103900  127.978047    0.991919
     2    3.783200 -243.392129   -2.001589
p-d  2    4.917200  150.050208    1.226384
     1    4.284900    3.938732   -0.071752
     0   13.307700    5.005133    0.004206
  
     2    2.109200   -0.860272   -0.013374
d    2    5.967900   -8.201372   -0.012301
     2   17.520200  -22.870439    0.019940
     1   53.428200   -6.707895    0.066085