## F2 + He # HF correction PBE -2.85570466771188 -0.0112667838948910 -198.698792752661 -0.1596345827582842 -201.554497420371 -0.1709013666531826 1.9 10^-12 7 10^-15 # F2 + Ne # HF -128.4963497306184 -0.1039022285466806 -198.698792752661 -0.1596345827582842 -327.195142483279 -0.2635368113049532 3.4 10^-13 1.1 10^-14 # N2 ROHF PBE-UEG-xi-ROHF PBE-ONT-xi-ROHF -54.3898707291144 -0.0230740500348705 -0.0247392466968251 -108.1790794412006 -0.0715505833610001 -0.60066 0.0254024832912591 # CASSCF PBE-UEG-xi-CAS PBE-UEG-Xi-CAS PBE-ONT-xi-CAS PBE-ONT-Xi-CAS -108.779741458229 -0.0691133629633014 -0.0461481000697329 -0.0509457188492165 -0.0494784933936403 2 10^-13 0.0229652628935603 8. 10^-15 0.0014672254555662 9.9 10^{-15}