Table I.
Atoms | Kinetic energy | Exchange energy | Correlation energy | |||||||
---|---|---|---|---|---|---|---|---|---|---|
T exact ♣ | T 0 ♣ | T0+T2♣ | T Padé ♣ | K exact ♦ | K 0 ♥ | K B88 ♥ | E c exact ♦ | E c (139) ♠ | E c • | |
He | 2.86168 | 2.56054 | 2.87850 | 2.87639 | −1.0260 | −0.884 | −1.025 | −0.0425 | −0.0215 | −0.0681 |
Li | 7.43273 | 6.70062 | 7.50504 | 7.44941 | −1.7812 | −1.538 | −1.775 | −0.0454 | −0.0486 | −0.0815 |
Be | 14.5730 | 13.1286 | 14.6466 | 14.4223 | −2.6669 | −2.312 | −2.658 | −0.0945 | −0.0820 | −0.1192 |
B | 24.5291 | 22.0720 | 24.5228 | 24.2089 | −3.7438 | −3.272 | −3.728 | −0.1247 | −0.1197 | −0.1625 |
C | 37.6886 | 34.0144 | 37.5988 | 37.2533 | −5.0444 | −4.459 | −5.032 | −0.1566 | −0.1609 | −0.2091 |
N | 54.4009 | 49.4771 | 54.3852 | 54.0643 | −6.5971 | −5.893 | −6.589 | −0.1850 | −0.2050 | −0.2567 |
O | 74.8094 | 67.8965 | 74.3573 | 74.1625 | −8.1752 | −7.342 | −8.169 | −0.2579 | −0.2512 | −0.3035 |
F | 99.4093 | 90.4598 | 98.6429 | 98.6959 | −10.003 | −9.052 | −10.02 | −0.332 | −0.2996 | −0.3510 |
Ne | 128.547 | 117.761 | 127.829 | 128.221 | −12.108 | −11.03 | −12.14 | −0.390 | −0.3498 | −0.3987 |
Na | 161.859 | 148.809 | 161.093 | 161.718 | −14.017 | −12.79 | −14.03 | −0.398 | −0.3892 | −0.4137 |
Mg | 199.614 | 184.017 | 198.749 | 199.578 | −15.994 | −14.61 | −16.00 | −0.443 | −0.4351 | −0.4491 |
Al | 241.877 | 223.443 | 240.868 | 242.008 | −18.069 | −16.53 | −18.06 | −0.480 | −0.4809 | −0.4863 |
Si | 288.854 | 267.315 | 287.659 | 289.139 | −20.280 | −18.59 | −20.27 | −0.521 | −0.5308 | −0.5308 |
Cl | 459.482 | 426.865 | 457.321 | 460.117 | −27.512 | −25.35 | −27.49 | −0.714 | −0.6901 | −0.6710 |
Ar | 526.817 | 490.017 | 524.289 | 527.617 | −30.185 | −27.86 | −30.15 | −0.787 | −0.7459 | −0.7190 |