RADON


Download for use in GAUSSIAN and COLUMBUS packages.

The following basis sets and potentials were taken from:


S.A. Wildman, G.A. Dilabio, P.A. Christiansen
J. Chem. Phys., 107, 9975 (1997).

Radon Relativistic Effective Potential and Basis set including the 5d, 6s, and 6p subshells in the valence space.


Basis Set

     Expn.      C

     2.2579     0.247292
     1.2950    -0.841361
s    0.4593     0.584920
     0.2103     0.690788
     0.0918     0.142530

     1.0842    -0.115435
     0.7923    -0.182098
p    0.4655     0.511082
     0.1790     0.591610
     0.0714     0.200124
    
    10.6892    -0.019319
     2.1766     0.539011
d    1.0735     0.316344
     0.7117     0.188151
     0.3288     0.077490

Potential

     n     Expn.      C (AREP)      C (SO)

     2     1.351300    46.241353
     2     1.552100  -147.440206
     2     2.023900   299.050068
s-g  2     2.864500  -316.004352
     2     4.224900   300.515751
     2     6.502100  -254.982229
     1     6.352700    89.383592
     0    37.444400     4.091537
  
     2     0.311500     0.080959    -0.000716
     2     1.344800   -63.965944    -7.227068
     2     1.610000   222.773939    35.204397
p-g  2     2.188800  -267.994816   -58.449679
     2     3.200200   256.144459    44.682127
     2     4.792100  -136.463101   -21.632818
     1     6.502800    56.797767    -2.846004
     0    21.511700     6.076993    -0.566560
  
     2     2.257100   -59.210775   -10.556614
     2     2.692600   159.231156    27.483744
     2     3.655900  -256.956382   -36.678274
d-g  2     5.524100   451.816760    48.883360
     2     8.909700  -457.135600   -55.981377
     2    15.210100   478.309184    30.095828
     1    47.009300    29.445977    -2.824122
     0    39.826000     7.787720     0.115528
  
     2     1.468800    -9.991864    -3.058533
     2     1.682200    34.787113     8.744315
     2     2.141400   -66.244960   -12.283845
f-g  2     2.970000   119.361596    11.267563
     2     4.330800  -193.178085    -5.350358
     2     6.378300   241.577263     0.146892
     1    17.406900    25.281425     0.333823
     0    16.499300    10.087673    -0.027529
  
     2     1.717400    -1.351709    -0.065095
     2     4.223900   -16.699697     0.123651
g    2    12.885400   -73.188348    -0.060831
     2    32.785500  -160.669768     1.388093
     2   110.204100  -462.388988     2.488995
     1   369.334700   -59.055666     5.188859