# 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 : Ac NewGTO 89 S 9 1 55109808.74124400 0.0312766245 2 25049913.06420200 -0.0204119520 3 11386324.12009200 0.0582795151 4 5175601.872769000 0.0047558262 5 2352546.305804000 0.0899377462 6 1069339.229911000 0.0775555648 7 486063.2863230000 0.1904178134 8 220937.8574200000 0.2641478696 9 100426.2988270000 0.4915549572 S 1 1 45648.3176490000 1.0000000000 S 1 1 20749.2352950000 1.0000000000 S 1 1 9431.4705890000 1.0000000000 S 1 1 4287.0320860000 1.0000000000 S 1 1 1948.6509480000 1.0000000000 S 1 1 885.7504310000 1.0000000000 S 1 1 402.6138320000 1.0000000000 S 1 1 183.0062870000 1.0000000000 S 1 1 83.1846760000 1.0000000000 S 1 1 37.8112160000 1.0000000000 S 1 1 17.1869170000 1.0000000000 S 1 1 7.8122350000 1.0000000000 S 1 1 3.5510160000 1.0000000000 S 1 1 1.6140980000 1.0000000000 S 1 1 0.7336810000 1.0000000000 S 1 1 0.3334910000 1.0000000000 S 1 1 0.1515870000 1.0000000000 S 1 1 0.0689030000 1.0000000000 S 1 1 0.0313200000 1.0000000000 S 1 1 0.0142360000 1.0000000000 P 8 1 782789.9000960001 0.0031757524 2 326162.4583730000 0.0008406366 3 135901.0243220000 0.0083656049 4 56625.4268010000 0.0126957020 5 23593.9278340000 0.0370008398 6 9830.8032640000 0.0908384712 7 4096.1680270000 0.2586186730 8 1706.7366780000 0.7139694175 P 1 1 711.1402820000 1.0000000000 P 1 1 296.3084510000 1.0000000000 P 1 1 123.4618550000 1.0000000000 P 1 1 51.4424390000 1.0000000000 P 1 1 21.4343500000 1.0000000000 P 1 1 8.9309790000 1.0000000000 P 1 1 3.7212410000 1.0000000000 P 1 1 1.5505170000 1.0000000000 P 1 1 0.6460490000 1.0000000000 P 1 1 0.2691870000 1.0000000000 P 1 1 0.1121610000 1.0000000000 P 1 1 0.0467340000 1.0000000000 D 7 1 37896.8365590000 0.0001482612 2 15158.7346230000 0.0003702219 3 6063.4938490000 0.0020736881 4 2425.3975400000 0.0096748493 5 970.1590160000 0.0520379811 6 388.0636060000 0.2362709965 7 155.2254430000 0.7964725694 D 1 1 62.0901770000 1.0000000000 D 1 1 24.8360710000 1.0000000000 D 1 1 9.9344280000 1.0000000000 D 1 1 3.9737710000 1.0000000000 D 1 1 1.5895090000 1.0000000000 D 1 1 0.6358030000 1.0000000000 D 1 1 0.2543210000 1.0000000000 D 1 1 0.1017290000 1.0000000000 D 1 1 0.0406910000 1.0000000000 F 6 1 3860.7881580000 0.0000676369 2 1484.9185220000 0.0004993795 3 571.1225090000 0.0048810577 4 219.6625030000 0.0404316252 5 84.4855780000 0.2453229456 6 32.4944530000 0.8182721188 F 1 1 12.4978670000 1.0000000000 F 1 1 4.8068720000 1.0000000000 F 1 1 1.8487970000 1.0000000000 F 1 1 0.7110760000 1.0000000000 F 1 1 0.2734910000 1.0000000000 F 1 1 0.1051890000 1.0000000000 end