# 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-DKH2 basis sets # Basis set for element : Pa NewGTO 91 S 9 1 57631858.17253400 0.0324936320 2 26196299.16933400 -0.0213243242 3 11907408.71333400 0.0603713014 4 5412458.506061000 0.0042675023 5 2460208.411846000 0.0922786745 6 1118276.550839000 0.0777436539 7 508307.5231090000 0.1924734529 8 231048.8741400000 0.2631671960 9 105022.2155180000 0.4885848292 S 1 1 47737.3706900000 1.0000000000 S 1 1 21698.8048590000 1.0000000000 S 1 1 9863.0931180000 1.0000000000 S 1 1 4483.2241440000 1.0000000000 S 1 1 2037.8291570000 1.0000000000 S 1 1 926.2859800000 1.0000000000 S 1 1 421.0390820000 1.0000000000 S 1 1 191.3814010000 1.0000000000 S 1 1 86.9915460000 1.0000000000 S 1 1 39.5416120000 1.0000000000 S 1 1 17.9734600000 1.0000000000 S 1 1 8.1697540000 1.0000000000 S 1 1 3.7135250000 1.0000000000 S 1 1 1.6879660000 1.0000000000 S 1 1 0.7672570000 1.0000000000 S 1 1 0.3487530000 1.0000000000 S 1 1 0.1585240000 1.0000000000 S 1 1 0.0720560000 1.0000000000 S 1 1 0.0327530000 1.0000000000 S 1 1 0.0148880000 1.0000000000 P 8 1 820588.6600690000 0.0033507411 2 341911.9416950000 0.0008734200 3 142463.3090400000 0.0087537475 4 59359.7121000000 0.0131359375 5 24733.2133750000 0.0380705333 6 10305.5055730000 0.0923923439 7 4293.9606550000 0.2603540937 8 1789.1502730000 0.7107726266 P 1 1 745.4792800000 1.0000000000 P 1 1 310.6163670000 1.0000000000 P 1 1 129.4234860000 1.0000000000 P 1 1 53.9264530000 1.0000000000 P 1 1 22.4693550000 1.0000000000 P 1 1 9.3622310000 1.0000000000 P 1 1 3.9009300000 1.0000000000 P 1 1 1.6253870000 1.0000000000 P 1 1 0.6772450000 1.0000000000 P 1 1 0.2821850000 1.0000000000 P 1 1 0.1175770000 1.0000000000 P 1 1 0.0489910000 1.0000000000 D 7 1 39984.8312080000 0.0001545696 2 15993.9324830000 0.0003818697 3 6397.5729930000 0.0021222331 4 2559.0291970000 0.0097968379 5 1023.6116790000 0.0522921295 6 409.4446720000 0.2362850042 7 163.7778690000 0.7963212840 D 1 1 65.5111470000 1.0000000000 D 1 1 26.2044590000 1.0000000000 D 1 1 10.4817840000 1.0000000000 D 1 1 4.1927130000 1.0000000000 D 1 1 1.6770850000 1.0000000000 D 1 1 0.6708340000 1.0000000000 D 1 1 0.2683340000 1.0000000000 D 1 1 0.1073330000 1.0000000000 D 1 1 0.0429330000 1.0000000000 F 6 1 4212.3892570000 0.0000656512 2 1620.1497140000 0.0004867345 3 623.1345050000 0.0046875705 4 239.6671170000 0.0391377282 5 92.1796610000 0.2408751552 6 35.4537160000 0.8222271707 F 1 1 13.6360440000 1.0000000000 F 1 1 5.2446320000 1.0000000000 F 1 1 2.0171660000 1.0000000000 F 1 1 0.7758330000 1.0000000000 F 1 1 0.2983970000 1.0000000000 F 1 1 0.1147680000 1.0000000000 end