# All-electron scalar relativistic basis sets for the lanthanides # Dimitrios. A. Pantazis and Frank Neese # J. Chem. Theory Comput. 2009, 5, 2229-2238. doi:10.1021/ct900090f # SARC-TZV for the DKH2 Hamiltonian newgto Yb 0 6 1 1358076.401924999896 0.009321651662 2 603589.511966999969 -0.004670388839 3 268262.005318999989 0.018149279708 4 119227.557918999999 0.006859690805 5 52990.025741999998 0.035700170174 6 23551.122552000001 0.046833387310 0 1 7 10467.165579000000 1.000000000000 0 1 8 4652.073591000000 1.000000000000 0 1 9 2067.588262000000 1.000000000000 0 1 10 918.928117000000 1.000000000000 0 1 11 408.412496000000 1.000000000000 0 1 12 181.516665000000 1.000000000000 0 1 13 80.674073000000 1.000000000000 0 1 14 35.855144000000 1.000000000000 0 1 15 15.935619000000 1.000000000000 0 1 16 7.082498000000 1.000000000000 0 1 17 3.147777000000 1.000000000000 0 1 18 1.399012000000 1.000000000000 0 1 19 0.621783000000 1.000000000000 0 1 20 0.276348000000 1.000000000000 0 1 21 0.122821000000 1.000000000000 0 1 22 0.054587000000 1.000000000000 0 1 23 0.024261000000 1.000000000000 1 5 1 18741.957799000000 0.005277617604 2 7496.783120000000 0.006217786382 3 2998.713248000000 0.030863875883 4 1199.485299000000 0.091228486442 5 479.794120000000 0.268129695649 1 1 6 191.917648000000 1.000000000000 1 1 7 76.767059000000 1.000000000000 1 1 8 30.706824000000 1.000000000000 1 1 9 12.282729000000 1.000000000000 1 1 10 4.913092000000 1.000000000000 1 1 11 1.965237000000 1.000000000000 1 1 12 0.786095000000 1.000000000000 1 1 13 0.314438000000 1.000000000000 1 1 14 0.125775000000 1.000000000000 1 1 15 0.050310000000 1.000000000000 1 1 16 0.020124000000 1.000000000000 2 4 1 1379.815234000000 0.004774780699 2 501.750994000000 0.026299998501 3 182.454907000000 0.144635244398 4 66.347239000000 0.465668073949 2 1 5 24.126269000000 1.000000000000 2 1 6 8.773189000000 1.000000000000 2 1 7 3.190250000000 1.000000000000 2 1 8 1.160091000000 1.000000000000 2 1 9 0.421851000000 1.000000000000 2 1 10 0.153400000000 1.000000000000 2 1 11 0.055782000000 1.000000000000 2 1 12 0.020284000000 1.000000000000 3 4 1 41.140939000000 0.102463737856 2 13.713646000000 0.336227809418 3 4.571215000000 0.493282648109 4 1.523738000000 0.340622138931 3 1 5 0.507913000000 0.147068340891 3 1 6 0.169304000000 1.000000000000 end