LEAD
The following basis sets and potentials were taken from:
S.A. Wildman, G.A. Dilabio, P.A. Christiansen
J. Chem. Phys., 107, 9975 (1997).
Lead Relativistic Effective Potential and Basis set including
the 5d, 6s, and 6p subshells in the valence space.
Basis Set
Expn. C
1.3701 0.222735
0.8519 -0.842802
s 0.4166 0.492873
0.1479 0.768818
0.0605 0.215591
4.8296 0.002472
0.6014 0.225494
p 0.3440 -0.331615
0.1212 -0.602344
0.0460 -0.330817
9.3673 -0.024038
1.8222 0.446278
d 0.8320 0.436857
0.3938 0.220573
0.1734 0.051072
0.0450 0.001009
Potential
n Expn. C (AREP) C (SO)
2 1.062500 47.011568
2 1.220000 -150.280353
2 1.592200 296.721912
s-g 2 2.253500 -329.094800
2 3.333000 294.298285
2 4.800900 -129.212176
1 7.994100 57.000569
0 28.337500 6.334060
2 0.584400 5.428823 0.241215
2 0.824800 -55.369498 -4.517451
2 1.059400 155.102327 18.476583
p-g 2 1.457400 -181.358791 -25.542129
2 1.951000 120.056170 9.054347
2 7.818200 90.856500 -7.275813
1 16.135400 55.171827 -0.531209
0 42.822500 5.609916 -0.137428
2 0.498400 -0.188154 -0.116338
2 1.641100 -29.672622 9.504609
2 1.989800 87.248523 -22.196965
d-g 2 2.725000 -153.771260 22.395242
2 4.033000 256.456261 -9.767153
2 5.825200 -168.929495 -1.674592
1 9.520300 65.025905 0.153971
0 44.422300 6.776294 -0.033085
2 0.964600 -32.728402 0.475052
2 1.112200 105.855655 -1.457681
2 1.456800 -218.511396 2.369228
f-g 2 2.103100 337.182341 -2.478909
2 3.186900 -287.691706 1.484956
2 4.836100 219.622053 -0.471627
1 15.069200 76.835774 0.033935
0 50.966900 8.684802 -0.002620
2 1.305800 -1.453792 -0.043570
2 3.128400 -12.677284 0.121483
g 2 9.255100 -51.687993 -0.272125
2 23.063700 -136.880727 1.142654
2 79.272900 -369.916103 0.519106
1 253.830600 -54.614387 3.491015