ARGON

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).

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

Basis Set


     Expn.	  C

     25.99       -0.003397
s     2.336      -0.339128
      0.6503      0.707321	
      0.2240      0.532494
	
     16.49       -0.008059	
      5.255      -0.025053
p     0.7689      0.556340
      0.2223      0.556685

Potential


     n    Expn.     C (AREP)     C (SO)

     2    2.136600   44.276791
     2    2.427400 -119.469892
s-d  2    2.962600  107.434217
     1    2.010100    1.313144
     0   11.533800    3.358147
  
     2    2.683900  -73.124348   -0.418181
     2    3.285600  168.993212    1.427950
p-d  2    4.106000 -117.489349   -1.142477
     1    7.930900    3.617989    0.013979
     0    1.487700    4.847110   -0.002022
  
     2    4.164300   -1.631011   -0.021636
d    2   12.052500  -13.638251    0.022973
     2   36.677600  -34.383156    0.032818
     1  114.512000   -7.138072    0.180350