# All-electron scalar relativistic basis sets for the actinides # D. A. Pantazis and F. Neese # J. Chem. Theory Comput. 2011, 7, 677-684. DOI:10.1021/ct100736b # SARC-ZORA basis sets # Basis set for element : Bk NewGTO 97 S 9 1 65541743.54207900 0.0217560418 2 29791701.61003600 -0.0062142475 3 13541682.55001600 0.0379222736 4 6155310.250007000 0.0182931697 5 2797868.295458000 0.0688079596 6 1271758.316117000 0.0836914053 7 578071.9618710000 0.1706219120 8 262759.9826690000 0.2737295699 9 119436.3557590000 0.5070326595 S 1 1 54289.2526180000 1.0000000000 S 1 1 24676.9330080000 1.0000000000 S 1 1 11216.7877310000 1.0000000000 S 1 1 5098.5398780000 1.0000000000 S 1 1 2317.5181260000 1.0000000000 S 1 1 1053.4173300000 1.0000000000 S 1 1 478.8260590000 1.0000000000 S 1 1 217.6482090000 1.0000000000 S 1 1 98.9310040000 1.0000000000 S 1 1 44.9686380000 1.0000000000 S 1 1 20.4402900000 1.0000000000 S 1 1 9.2910410000 1.0000000000 S 1 1 4.2232000000 1.0000000000 S 1 1 1.9196370000 1.0000000000 S 1 1 0.8725620000 1.0000000000 S 1 1 0.3966190000 1.0000000000 S 1 1 0.1802810000 1.0000000000 S 1 1 0.0819460000 1.0000000000 S 1 1 0.0372480000 1.0000000000 S 1 1 0.0169310000 1.0000000000 P 8 1 939440.7605340000 0.0011170680 2 391433.6502220000 0.0011422566 3 163097.3542590000 0.0045996610 4 67957.2309410000 0.0104029576 5 28315.5128920000 0.0297737266 6 11798.1303720000 0.0835898642 7 4915.8876550000 0.2520941835 8 2048.2865230000 0.7282121380 P 1 1 853.4527180000 1.0000000000 P 1 1 355.6052990000 1.0000000000 P 1 1 148.1688750000 1.0000000000 P 1 1 61.7370310000 1.0000000000 P 1 1 25.7237630000 1.0000000000 P 1 1 10.7182350000 1.0000000000 P 1 1 4.4659310000 1.0000000000 P 1 1 1.8608050000 1.0000000000 P 1 1 0.7753350000 1.0000000000 P 1 1 0.3230560000 1.0000000000 P 1 1 0.1346070000 1.0000000000 P 1 1 0.0560860000 1.0000000000 D 7 1 46590.6458960000 0.0001173790 2 18636.2583580000 0.0003153281 3 7454.5033430000 0.0018765002 4 2981.8013370000 0.0090653303 5 1192.7205350000 0.0508438109 6 477.0882140000 0.2344824183 7 190.8352860000 0.7986541950 D 1 1 76.3341140000 1.0000000000 D 1 1 30.5336460000 1.0000000000 D 1 1 12.2134580000 1.0000000000 D 1 1 4.8853830000 1.0000000000 D 1 1 1.9541530000 1.0000000000 D 1 1 0.7816610000 1.0000000000 D 1 1 0.3126650000 1.0000000000 D 1 1 0.1250660000 1.0000000000 D 1 1 0.0500260000 1.0000000000 F 6 1 5327.8457110000 0.0000501427 2 2049.1714270000 0.0004149657 3 788.1428570000 0.0040503079 4 303.1318680000 0.0356384948 5 116.5891800000 0.2296147001 6 44.8419920000 0.8322276049 F 1 1 17.2469200000 1.0000000000 F 1 1 6.6334310000 1.0000000000 F 1 1 2.5513200000 1.0000000000 F 1 1 0.9812770000 1.0000000000 F 1 1 0.3774140000 1.0000000000 F 1 1 0.1451590000 1.0000000000 end