Table II.

Atomic exchange-correlation and total energies (in hartrees) from various schemes of computations. The exact values are computed with Hartree-Fock densities.

Atoms	Exchange-Correlation energy					Total energy
	E xc exact ♣	E xc I(Xα) ♦	E xc II(Xα) ♦	E xc I(Wig) ♦	E xc II(Wig) ♦	E tot exact ♥	E tot xc(RG) ♥	E tot xc(LDA) ♥	E tot BLYP ♠	E tot PW91 ♠
He	−1.0685	−1.0604	−1.0566	−1.0633	−1.0654	−2.9042	−3.0317	−2.8601	−2.9071	−2.9000
Li	−1.8266	−1.8048	−1.8134	−1.8093	−1.8108	−7.4781	−7.6473	−7.3704	−7.4827	−7.4742
Be	−2.7614	−2.7260	−2.7522	−2.7325	−2.7342	−14.6675	−14.8911	−14.4966	−14.6615	−14.6479
B	−3.8685	−3.8126	−3.8415	−3.8215	−3.8177	−24.6538	−24.9158	−24.4097	−24.6458	−24.6299
C	−5.2010	−5.1127	−5.1338	−5.1248	−5.1121	−37.8163	−38.1305	−37.5095	−37.8430	−37.8265
N	−6.7821	−6.6400	−6.6440	−6.6558	−6.6321	−54.4812	−54.8681	−54.1287	−54.5932	−54.5787
O	−8.4331	−8.3599	−8.3405	−8.3796	−8.3450	−75.0271	−75.4597	−74.5979	−75.0786	−75.0543
F	−10.325	−10.327	−10.277	−10.350	−10.305	−99.741	−100.235	−99.247	−99.7581	−99.7316
Ne	−12.498	−12.551	−12.466	−12.579	−12.524	−128.937	−129.522	−128.403	−128.9730	−128.9466
Na	−14.415	−14.462	−14.382	−14.488	−14.445	−162.257	−162.862	−161.624	−162.293	−162.265
Mg	−16.437	−16.482	−16.424	−16.504	−16.484	−200.058	−200.705	−199.340	−200.093	−200.060
Al	−18.549	−18.566	−18.542	−18.583	−18.593	−242.357	−243.028	−241.533	−242.380	−242.350
Si	−20.801	−20.774	−20.791	−20.784	−20.830	−289.356	−290.063	−288.435	−289.388	−289.363
Cl	−28.226	−28.115	−28.272	−28.092	−28.281	−460.196	−461.005	−458.963	−460.165	−460.147
Ar	−30.972	−30.827	−31.037	−30.789	−31.035	−527.605	−528.452	−526.267	−527.551	−527.539

^♣: from Ref. [107];

^♦: from Eqs. (170)–(173) and Ref. [107];

^♥: from Ref. [109];

^♠: from Ref. [120]