srDFT_G2/Data/C2_VXZ.dat

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2019-04-06 20:27:44 +02:00
exFCI 132.0 140.3 143.6 144.7 145.7
exFCI+LDA 141.3 145.1 146.4 146.3 145.7
exFCI+PBE 145.7 145.7 146.3 146.2 145.7
CCSD(T) 129.2 139.1 143.0 144.2 145.4
CCSD(T)+LDA 139.1 143.7 145.9 145.9 145.4
CCSD(T)+PBE 142.8 144.2 145.9 145.8 145.4