# 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 Lu 0 6 1 1397555.920017000055 0.009636023328 2 621135.964451999986 -0.004849085133 3 276060.428644999978 0.018719297716 4 122693.523841999995 0.006938727691 5 54530.455041000001 0.036553265371 6 24235.757796000002 0.047475692042 0 1 7 10771.447909000000 1.000000000000 0 1 8 4787.310182000000 1.000000000000 0 1 9 2127.693414000000 1.000000000000 0 1 10 945.641517000000 1.000000000000 0 1 11 420.285119000000 1.000000000000 0 1 12 186.793386000000 1.000000000000 0 1 13 83.019283000000 1.000000000000 0 1 14 36.897459000000 1.000000000000 0 1 15 16.398871000000 1.000000000000 0 1 16 7.288387000000 1.000000000000 0 1 17 3.239283000000 1.000000000000 0 1 18 1.439681000000 1.000000000000 0 1 19 0.639858000000 1.000000000000 0 1 20 0.284382000000 1.000000000000 0 1 21 0.126392000000 1.000000000000 0 1 22 0.056174000000 1.000000000000 0 1 23 0.024966000000 1.000000000000 1 5 1 19323.367784999999 0.005416108566 2 7729.347114000000 0.006303121284 3 3091.738846000000 0.031275697226 4 1236.695538000000 0.091785633898 5 494.678215000000 0.268937019704 1 1 6 197.871286000000 1.000000000000 1 1 7 79.148514000000 1.000000000000 1 1 8 31.659406000000 1.000000000000 1 1 9 12.663762000000 1.000000000000 1 1 10 5.065505000000 1.000000000000 1 1 11 2.026202000000 1.000000000000 1 1 12 0.810481000000 1.000000000000 1 1 13 0.324192000000 1.000000000000 1 1 14 0.129677000000 1.000000000000 1 1 15 0.051871000000 1.000000000000 1 1 16 0.020748000000 1.000000000000 2 4 1 1430.527887000000 0.004790185341 2 520.191959000000 0.026272306064 3 189.160712000000 0.144470324061 4 68.785714000000 0.466108922578 2 1 5 25.012987000000 1.000000000000 2 1 6 9.095632000000 1.000000000000 2 1 7 3.307502000000 1.000000000000 2 1 8 1.202728000000 1.000000000000 2 1 9 0.437356000000 1.000000000000 2 1 10 0.159038000000 1.000000000000 2 1 11 0.057832000000 1.000000000000 2 1 12 0.021030000000 1.000000000000 3 4 1 46.778199000000 0.092755820913 2 15.592733000000 0.326681438901 3 5.197578000000 0.505459101093 4 1.732526000000 0.350233598994 3 1 5 0.577509000000 0.131118078071 3 1 6 0.192503000000 1.000000000000 end