Table 2.
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 |