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. 2008 May 22;128(19):194105. doi: 10.1063/1.2921797

Table 2.

Parameters in the rational functions defining H(s) for various GGAs.

  PBE PBE-sol B88 B97x
a2 0.015 994 1 0.004 733 3 0.009 686 15 0.002 735 5
a3 0.085 299 5 0.040 330 4 −0.024 249 8 0.043 297 0
a4 −0.160 368 −0.057 461 5 0.025 900 9 −0.066 937 9
a5 0.152 645 0.043 539 5 −0.013 660 6 0.069 906 0
a6 −0.097 126 3 −0.021 625 1 0.003 096 06 −0.047 463 5
a7 0.042 206 1 0.006 372 1 −7.325 83×10−5 0.015 309 2
b1 5.333 19 8.520 56 −2.503 56 15.827 9
b2 −12.478 0 −13.988 5 2.796 56 −26.814 5
b3 11.098 8 9.285 83 −1.794 01 17.812 7
b4 −5.110 13 −3.272 87 0.714 888 −5.982 46
b5 1.714 68 0.843 499 −0.165 924 1.254 08
b6 −0.610 380 −0.235 543 0.011 837 9 −0.270 783
b7 0.307 555 0.084 707 4 0.003 780 6 0.091 953 6
b8 −0.077 054 7 −0.017 156 1 −1.579 05×10−4 −0.014 096 0
b9 0.033 484 0 0.005 055 2 1.453 23×10−6 0.004 546 6