PLATINUM


Download for use in GAUSSIAN and COLUMBUS packages.

The following basis sets and potentials were taken from:


R.B. Ross, J.M. Powers, T. Atashroo, W.C. Ermler, L.A. LaJohn,
and P.A. Christiansen, J. Chem. Phys., 93, 6654 (1990).

Platinum Relativistic Effective Potential and Basis set including the 5d, 6s, and 6p subshells in the valence space. Note, the larger valence space potential will give more accurate results.


Basis Set

     Expn.	C(n=5)		C(n=6)

			       (-0.2960)
     0.4024			-0.9969
s    0.2704			 1.0610
     0.0612			 0.8117

			       (-0.1338)
     0.6751			-0.0427
p    0.0966			 0.4789
     0.0288			 0.6301

	       (-0.4116)
     1.2792	 0.4614
d    0.4890	 0.4587
     0.1905	 0.2346
     0.0747	 0.0500

Potential

     n     Expn.      C (AREP)      C (SO)

     2    1.143300  -80.754021
     2    1.324800  255.402430
     2    1.724000 -314.580845
s-g  2    2.410600  297.734940
     2    3.499700 -197.639338
     2    5.130000  146.508398
     1   12.909200   48.660684
     0   34.226600    4.064912
  
     2    0.851600  -17.786717   11.386573
     2    0.975100   96.914003  -14.233798
     2    1.266200 -146.014526   -5.864301
p-g  2    1.805100  147.231947   21.055626
     2    2.705000  -89.586180  -19.785536
     2    4.244800   85.018012    9.614229
     1   10.743900   50.108768   -0.541645
     0   31.214600    5.642663    0.076829

     2    0.282000   -0.118513   -0.012992
     2    1.267200  -17.328950    0.606279
     2    1.569200   49.303392   -1.314369
d-g  2    2.301900 -115.680268   -0.021552
     2    3.293600  226.664570    7.154425
     2    4.609100 -154.830769   -9.172213
     1    7.736500   59.639100    0.461982
     0   36.100000    6.811202   -0.065185
  
     2    0.321300  -28.150095    0.083262
     2    0.333800   31.239727   -0.085665
     2    1.391200   47.821970   -1.405815
f-g  2    1.497800  -29.597185    1.292349
     2    3.370400   68.588371   -8.962695
     2    3.546800  -27.416642    8.539591
     1    8.283500   44.576737    0.038234
     0   23.964400    4.994919   -0.000135
  
     2    0.912100   -0.974928   -0.033425
     2    2.165400   -9.496993    0.062504
g    2    6.065800  -31.972325   -0.228632
     2   15.520800 -115.023093    0.514353
     2   52.946400 -275.538914    0.649005
     1  160.880900  -50.802780    2.082631

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


Basis Set

     Expn.	C(n=5)		C(n=6)

		(-4.3929)	(-0.2914)
     2.3654	 -2.6425	  1.1223
     1.8045	  3.0525	 -1.4010
s    0.5083	  0.4221	 -0.2710
     0.1484	 -0.0196	  0.6127
     0.05148	  0.0064	  0.6135

		(-2.5721)
     3.3722	 -0.6032
     2.5328	  0.6130
p    1.2740	  0.4983
     0.6238	  0.4190
     0.2210	  0.0517

		(-0.4094)
     1.4463	  0.2542
d    0.8898	  0.3757
     0.3387	  0.4211
     0.1320	  0.1435


Potential
	
     n     Expn.      C (AREP)      C (SO)

     2    2.609100  -26.624524
     2    3.029200   90.014119
     2    4.042900 -193.863407
s-g  2    6.076300  432.628519
     2    9.838400 -343.037940
     2   16.704100  387.985672
     1   47.623100   29.760948
     0   40.068900    6.778734
  
     2    2.312800  -30.374200    3.144229
     2    2.681700  102.495304   -6.443050
     2    3.501200 -205.280150   -0.365522
p-g  2    5.134900  412.876760   33.953389
     2    8.005600 -373.507703  -56.244716
     2   12.871300  355.233528   12.176288
     1   35.536700   34.393812   -6.758473
     0   36.648300    5.901358    0.011718
  
     2    1.383000   -3.027880    0.012654
     2    2.070500   64.211493    1.234890
     2    2.490500 -146.103004   -4.403525
d-g  2    3.673700  266.614125   13.841072
     2    5.485200 -301.470269  -22.010205
     2    8.209900  278.510435   12.605468
     1   18.571800   29.718523   -0.837846
     0   25.421000    7.868916    0.044059
  
     2    1.867100  -63.389436   -2.811426
     2    2.201800  215.724193    9.108076
     2    2.952100 -333.958797  -13.283186
f-g  2    4.372400  368.067963   11.150188
     2    6.784800 -242.793864   -6.017421
     2   11.022800  233.024843    1.916133
     1   27.735900   43.593550   -0.103276
     0   54.849300    4.532650    0.004329
  
     2    1.864800   -0.812542   -0.010378
     2    4.830800  -13.052929   -0.082417
g    2   12.304500  -73.720989    0.210271
     2   34.868200 -141.171455    1.159133
     2  110.946400 -412.578233    2.737223
     1  378.444300  -52.724524    4.843253