method,pseudopotential,system,basis,IP,IPerr,SHCIIP
AFQMC(MD),trail,Fe,v5z,0.2901000000000096,0.0019798989873223327,0.28996999999999673
AFQMC(MD),trail,Cu,v5z,0.2760000000000105,0.00256124969497314,0.28356999999999744
AFQMC(MD),trail,Cu,vqz,0.2757000000000005,0.0021260291625469297,0.2829899999999839
AFQMC(MD),trail,Cu,vtz,0.2732000000000028,0.0020248456731316584,0.2815999999999974
AFQMC(MD),trail,Cu,vdz,0.26370000000000005,0.00191049731745428,0.26966999999999075
AFQMC(MD),trail,Sc,vdz,0.2393999999999963,0.0013,0.24002000000000126
AFQMC(MD),trail,Sc,vtz,0.24160000000000534,0.0012649110640673515,0.2408099999999962
AFQMC(MD),trail,Sc,vqz,0.2419000000000011,0.0013416407864998738,0.2408900000000003
AFQMC(MD),trail,Sc,v5z,0.23990000000000575,0.0012083045973594571,0.2409800000000004
AFQMC(MD),trail,Ti,vdz,0.24800000000000466,0.0010816653826391967,0.24903000000000475
AFQMC(MD),trail,Ti,vtz,0.2518999999999991,0.001,0.2503899999999959
AFQMC(MD),trail,Ti,vqz,0.2515999999999963,0.0010630145812734648,0.25043999999999755
AFQMC(MD),trail,Ti,v5z,0.2503999999999991,0.0012727922061357855,0.2507000000000019
AFQMC(MD),trail,V,vdz,0.2489000000000061,0.0012041594578792295,0.2492699999999957
AFQMC(MD),trail,Fe,vqz,0.2901999999999987,0.0016278820596099706,0.28966000000001196
AFQMC(MD),trail,V,vqz,0.24729999999999566,0.0014866068747318509,0.2481900000000081
AFQMC(MD),trail,Fe,vtz,0.2890000000000015,0.0014866068747318509,0.28863000000001193
AFQMC(MD),trail,Fe,vdz,0.2831999999999937,0.0012806248474865698,0.2845800000000054
AFQMC(MD),trail,Mn,v5z,0.2729999999999961,0.0014422205101855955,0.2725799999999907
AFQMC(MD),trail,V,vtz,0.2486999999999995,0.001414213562373095,0.24943000000000384
AFQMC(MD),trail,Mn,vtz,0.2715000000000032,0.0013601470508735444,0.2715199999999953
AFQMC(MD),trail,Mn,vqz,0.2723000000000013,0.0013601470508735444,0.2722899999999981
AFQMC(MD),trail,Cr,v5z,0.24859999999999616,0.0017691806012954134,0.2490499999999969
AFQMC(MD),trail,Mn,vdz,0.2685999999999922,0.0012041594578792295,0.2689000000000021
AFQMC(MD),trail,Cr,vdz,0.2411999999999921,0.0011401754250991382,0.23962000000000214
AFQMC(MD),trail,Cr,vtz,0.24689999999999654,0.0016278820596099706,0.2479399999999856
AFQMC(MD),trail,Cr,vqz,0.2498999999999967,0.0016278820596099706,0.2489399999999904
AFQMC(MD),trail,V,v5z,0.2477000000000089,0.0015556349186104045,0.24801000000000786
B3LYP,trail,Cr,cbs,0.25804127875306904,0.0,0.24923518576329684
B3LYP,trail,Cu,cbs,0.2982668391990728,0.0,0.2841470213631112
B3LYP,trail,Fe,cbs,0.2911416254407442,0.0,0.2905620501950921
B3LYP,trail,Mn,cbs,0.27301666417238835,0.0,0.27322206028034657
B3LYP,trail,Sc,cbs,0.23576933714340956,0.0,0.2413455957636188
B3LYP,trail,Ti,cbs,0.2482058222090373,0.0,0.2512654527442706
B3LYP,trail,V,cbs,0.24282338410831986,0.0,0.24822199948989976
CISD,trail,Sc,vdz,0.2241850508655716,0.0,0.24002000000000126
CISD,trail,Cu,vqz,0.26535054110499345,0.0,0.2829899999999839
CISD,trail,Sc,v5z,0.2227947371789014,0.0,0.2409800000000004
CISD,trail,V,v5z,0.22984487537588905,0.0,0.24801000000000786
CISD,trail,Cu,v5z,0.2655168745137928,0.0,0.28356999999999744
CISD,trail,Mn,v5z,0.2503194851833541,0.0,0.2725799999999907
CISD,trail,Fe,v5z,0.2660961765952408,0.0,0.28996999999999673
CISD,trail,Fe,vqz,0.2661484868172295,0.0,0.28966000000001196
CISD,trail,Cr,v5z,0.239645871019718,0.0,0.2490499999999969
CISD,trail,Mn,vqz,0.25040275819226565,0.0,0.2722899999999981
CISD,trail,Ti,v5z,0.23078174278322905,0.0,0.2507000000000019
CISD,trail,V,vqz,0.23044945280175,0.0,0.2481900000000081
CISD,trail,V,vdz,0.2337329533979897,0.0,0.2492699999999957
CISD,trail,Cr,vdz,0.234806486774346,0.0,0.23962000000000214
CISD,trail,Mn,vdz,0.2516469750364507,0.0,0.2689000000000021
CISD,trail,Fe,vdz,0.2663893847980745,0.0,0.2845800000000054
CISD,trail,Cu,vdz,0.2581592477977779,0.0,0.26966999999999075
CISD,trail,Sc,vtz,0.22329004973811092,0.0,0.2408099999999962
CISD,trail,Ti,vtz,0.23145952249148394,0.0,0.2503899999999959
CISD,trail,V,vtz,0.2321143588251715,0.0,0.24943000000000384
CISD,trail,Cr,vtz,0.2395786577648238,0.0,0.2479399999999856
CISD,trail,Mn,vtz,0.2507984683299753,0.0,0.2715199999999953
CISD,trail,Fe,vtz,0.26650315886175235,0.0,0.28863000000001193
CISD,trail,Cr,vqz,0.2397417411228417,0.0,0.2489399999999904
CISD,trail,Cu,vtz,0.26506736829389865,0.0,0.2815999999999974
CISD,trail,Sc,vqz,0.22287845534614806,0.0,0.2408900000000003
CISD,trail,Ti,vqz,0.2308974806144377,0.0,0.25043999999999755
CISD,trail,Ti,vdz,0.2323305415736385,0.0,0.24903000000000475
DMC(SD),trail,Fe,cbs,0.2806154088235644,0.000294594633865373,0.2905620501950921
DMC(SD),trail,Ti,cbs,0.2460621950000004,0.00033236127883067603,0.2512654527442706
DMC(SD),trail,V,cbs,0.2409992185294527,0.0005437796905311173,0.24822199948989976
DMC(SD),trail,Sc,cbs,0.2431178438235193,0.0002079641602992998,0.2413455957636188
DMC(SD),trail,Mn,cbs,0.2635039460784583,0.00038085666070512895,0.27322206028034657
DMC(SD),trail,Cr,cbs,0.2460652088235093,0.00032165450699203065,0.24923518576329684
DMC(SD),trail,Cu,cbs,0.27777356470585346,0.0007630991272778159,0.2841470213631112
DMRG,trail,Cu,vdz,0.2701359999999795,0.0,0.26966999999999075
DMRG,trail,Mn,vtz,0.27203199999999583,0.0,0.2715199999999953
DMRG,trail,Fe,vdz,0.2846530000000058,0.0,0.2845800000000054
DMRG,trail,Cu,vtz,0.2819405000000188,0.0,0.2815999999999974
DMRG,trail,Fe,vtz,0.2887010000000032,0.0,0.28863000000001193
DMRG,trail,Mn,vdz,0.2689089999999936,0.0,0.2689000000000021
DMRG,trail,Ti,vdz,0.2490059999999943,0.0,0.24903000000000475
DMRG,trail,Sc,vtz,0.24090799999999746,0.0,0.2408099999999962
DMRG,trail,Cr,vdz,0.2396370000000019,0.0,0.23962000000000214
DMRG,trail,V,vtz,0.24916600000000244,0.0,0.24943000000000384
DMRG,trail,V,vdz,0.2491980000000069,0.0,0.2492699999999957
DMRG,trail,Ti,vtz,0.2501910000000009,0.0,0.2503899999999959
DMRG,trail,Cr,vtz,0.24778100000000336,0.0,0.2479399999999856
DMRG,trail,Sc,vdz,0.2400029999999944,0.0,0.24002000000000126
GF2,trail,Sc,vtz,0.2360000000000042,0.0,0.2408099999999962
GF2,trail,Sc,vqz,0.23680000000000234,0.0,0.2408900000000003
GF2,trail,Ti,vdz,0.2172000000000054,0.0,0.24903000000000475
GF2,trail,Ti,vtz,0.21650000000000347,0.0,0.2503899999999959
GF2,trail,Ti,vqz,0.2207000000000008,0.0,0.25043999999999755
GF2,trail,Sc,vdz,0.23270000000000124,0.0,0.24002000000000126
GF2,trail,V,vdz,0.2334000000000032,0.0,0.2492699999999957
GF2,trail,V,vtz,0.23669999999999905,0.0,0.24943000000000384
GF2,trail,Mn,vdz,0.2604000000000042,0.0,0.2689000000000021
GF2,trail,Fe,vqz,0.2865000000000037,0.0,0.28966000000001196
GF2,trail,Fe,vtz,0.28470000000000084,0.0,0.28863000000001193
GF2,trail,Fe,vdz,0.27649999999999864,0.0,0.2845800000000054
GF2,trail,Mn,vqz,0.2674999999999983,0.0,0.2722899999999981
GF2,trail,Cr,vdz,0.24270000000001346,0.0,0.23962000000000214
GF2,trail,Cr,vtz,0.25140000000000384,0.0,0.2479399999999856
GF2,trail,Cr,vqz,0.25250000000001194,0.0,0.2489399999999904
GF2,trail,V,vqz,0.22750000000000625,0.0,0.2481900000000081
GF2,trail,Mn,vtz,0.2660000000000053,0.0,0.2715199999999953
HF,trail,Sc,vdz,0.20020850411856367,0.0,0.24002000000000126
HF,trail,Cr,vqz,0.22047959362207334,0.0,0.2489399999999904
HF,trail,Mn,v5z,0.21804709140049286,0.0,0.2725799999999907
HF,trail,Cr,v5z,0.22039901067640244,0.0,0.2490499999999969
HF,trail,V,v5z,0.21824369504844301,0.0,0.24801000000000786
HF,trail,Ti,v5z,0.2033072112814054,0.0,0.2507000000000019
HF,trail,Sc,v5z,0.19752930494423995,0.0,0.2409800000000004
HF,trail,Cu,vqz,0.2410069518176385,0.0,0.2829899999999839
HF,trail,Fe,vqz,0.2338723168700767,0.0,0.28966000000001196
HF,trail,Mn,vqz,0.21830664552423684,0.0,0.2722899999999981
HF,trail,Cu,v5z,0.2410352898608039,0.0,0.28356999999999744
HF,trail,V,vqz,0.21833699203386914,0.0,0.2481900000000081
HF,trail,Ti,vqz,0.20359751411724147,0.0,0.25043999999999755
HF,trail,Sc,vqz,0.19776188473404946,0.0,0.2408900000000003
HF,trail,Fe,v5z,0.23365112879145045,0.0,0.28996999999999673
HF,trail,Fe,vtz,0.2343239408442344,0.0,0.28863000000001193
HF,trail,Ti,vdz,0.20672206286808856,0.0,0.24903000000000475
HF,trail,Cu,vtz,0.240910812213599,0.0,0.2815999999999974
HF,trail,Cr,vdz,0.21954836554398585,0.0,0.23962000000000214
HF,trail,Mn,vdz,0.22218816077284487,0.0,0.2689000000000021
HF,trail,Fe,vdz,0.2374538577997214,0.0,0.2845800000000054
HF,trail,V,vdz,0.21721246759928192,0.0,0.2492699999999957
HF,trail,Sc,vtz,0.19810871543013772,0.0,0.2408099999999962
HF,trail,Ti,vtz,0.2041579663806985,0.0,0.2503899999999959
HF,trail,V,vtz,0.21816437959510893,0.0,0.24943000000000384
HF,trail,Cr,vtz,0.22025887419194132,0.0,0.2479399999999856
HF,trail,Mn,vtz,0.2187165241359992,0.0,0.2715199999999953
HF,trail,Cu,vdz,0.2403745260888286,0.0,0.26966999999999075
HF+RPA,trail,Cr,vtz,0.25057600000000946,0.0,0.2479399999999856
HF+RPA,trail,Fe,vdz,,,
HF+RPA,trail,Fe,vtz,0.2747449999999958,0.0,0.28863000000001193
HF+RPA,trail,V,vtz,0.2445689999999985,0.0,0.24943000000000384
HF+RPA,trail,Cu,vtz,0.27765200000001755,0.0,0.2815999999999974
HF+RPA,trail,Ti,vtz,0.2375239999999934,0.0,0.2503899999999959
HF+RPA,trail,Sc,vtz,0.2297749999999965,0.0,0.2408099999999962
HF+RPA,trail,Mn,vtz,0.25779399999998986,0.0,0.2715199999999953
HSE06,trail,Fe,cbs,0.2784083069264227,0.0,0.2905620501950921
HSE06,trail,Cr,cbs,0.2595235371528162,0.0,0.24923518576329684
HSE06,trail,Cu,cbs,0.29287991233741195,0.0,0.2841470213631112
HSE06,trail,V,cbs,0.22809548512641695,0.0,0.24822199948989976
HSE06,trail,Ti,cbs,0.2412973916316261,0.0,0.2512654527442706
HSE06,trail,Mn,cbs,0.2579987993060797,0.0,0.27322206028034657
HSE06,trail,Sc,cbs,0.2332690896334597,0.0,0.2413455957636188
HSE06+RPA,trail,Cu,vtz,0.29482800000002385,0.0,0.2815999999999974
HSE06+RPA,trail,Mn,vtz,0.27641599999999755,0.0,0.2715199999999953
HSE06+RPA,trail,Fe,vdz,,,
HSE06+RPA,trail,Fe,vtz,0.29341599999997925,0.0,0.28863000000001193
HSE06+RPA,trail,V,vtz,0.2595109999999892,0.0,0.24943000000000384
HSE06+RPA,trail,Cr,vtz,0.26567599999999914,0.0,0.2479399999999856
HSE06+RPA,trail,Ti,vtz,0.25540799999999564,0.0,0.2503899999999959
HSE06+RPA,trail,Sc,vtz,0.24505800000000025,0.0,0.2408099999999962
LDA,trail,Cr,cbs,0.2787568367668456,0.0,0.24923518576329684
LDA,trail,Cu,cbs,0.3157617302381084,0.0,0.2841470213631112
LDA,trail,V,cbs,0.23389170970277465,0.0,0.24822199948989976
LDA,trail,Ti,cbs,0.2456562213017932,0.0,0.2512654527442706
LDA,trail,Sc,cbs,0.24426356812234215,0.0,0.2413455957636188
LDA,trail,Fe,cbs,0.3030820783181269,0.0,0.2905620501950921
LDA,trail,Mn,cbs,0.275202692977885,0.0,0.27322206028034657
MRLCC,trail,V,vtz,0.2519571269999972,0.0,0.24943000000000384
MRLCC,trail,Cr,vqz,0.2470672680000092,0.0,0.2489399999999904
MRLCC,trail,Cu,v5z,0.25894525200001794,0.0,0.28356999999999744
MRLCC,trail,Cr,vdz,0.23501583099999834,0.0,0.23962000000000214
MRLCC,trail,Cu,vdz,0.2687435690000086,0.0,0.26966999999999075
MRLCC,trail,Cr,v5z,0.2472487739999991,0.0,0.2490499999999969
MRLCC,trail,V,vqz,0.26124583400000745,0.0,0.2481900000000081
MRLCC,trail,Ti,vqz,0.2516048730000051,0.0,0.25043999999999755
MRLCC,trail,Fe,vdz,0.2765682880000071,0.0,0.2845800000000054
MRLCC,trail,Mn,vdz,0.2643378220000159,0.0,0.2689000000000021
MRLCC,trail,Sc,vdz,0.2406406630000077,0.0,0.24002000000000126
MRLCC,trail,Fe,v5z,0.28247847899999107,0.0,0.28996999999999673
MRLCC,trail,Sc,vqz,0.2414712889999961,0.0,0.2408900000000003
MRLCC,trail,Fe,vqz,0.2810563510000037,0.0,0.28966000000001196
MRLCC,trail,Ti,vdz,0.2510112649999954,0.0,0.24903000000000475
MRLCC,trail,V,vdz,0.2526367520000008,0.0,0.2492699999999957
MRLCC,trail,Cr,vtz,0.2462965480000037,0.0,0.2479399999999856
MRLCC,trail,Cu,vqz,0.26129051999998865,0.0,0.2829899999999839
MRLCC,trail,Fe,vtz,0.2801183250000037,0.0,0.28863000000001193
MRLCC,trail,Mn,vtz,0.26465414899999473,0.0,0.2715199999999953
MRLCC,trail,Sc,vtz,0.2413382269999929,0.0,0.2408099999999962
MRLCC,trail,Ti,vtz,0.25123677300000224,0.0,0.2503899999999959
MRLCC,trail,Mn,vqz,0.2663847079999897,0.0,0.2722899999999981
MRLCC,trail,Mn,v5z,0.2658120549999978,0.0,0.2725799999999907
MRLCC,trail,Cu,vtz,0.2603508920000195,0.0,0.2815999999999974
MRLCC,trail,V,v5z,0.251756229999998,0.0,0.24801000000000786
MRLCC,trail,Ti,v5z,0.2516116269999955,0.0,0.2507000000000019
MRLCC,trail,Sc,v5z,0.24150151199999925,0.0,0.2409800000000004
PBE,trail,Sc,cbs,0.2418101260469072,0.0,0.2413455957636188
PBE,trail,Mn,cbs,0.2626405180347149,0.0,0.27322206028034657
PBE,trail,Cu,cbs,0.3047508799188563,0.0,0.2841470213631112
PBE,trail,Cr,cbs,0.2694086644239633,0.0,0.24923518576329684
PBE,trail,Fe,cbs,0.28929570212234523,0.0,0.2905620501950921
PBE,trail,V,cbs,0.2508749544025761,0.0,0.24822199948989976
PBE,trail,Ti,cbs,0.2355312909379066,0.0,0.2512654527442706
QSGW,trail,Ti,vtz,0.24379499999999865,0.0,0.2503899999999959
QSGW,trail,Fe,vtz,0.28585200000000555,0.0,0.28863000000001193
QSGW,trail,Fe,vdz,,,
QSGW,trail,Cr,vtz,0.2585959999999972,0.0,0.2479399999999856
QSGW,trail,V,vtz,0.25334399999998425,0.0,0.24943000000000384
QSGW,trail,Sc,vtz,0.2407049999999984,0.0,0.2408099999999962
QSGW,trail,Mn,vtz,0.2710689999999971,0.0,0.2715199999999953
SC-GW,trail,Sc,vdz,0.2280599999999993,0.0,0.24002000000000126
SC-GW,trail,Cr,vdz,0.2436399999999992,0.0,0.23962000000000214
SC-GW,trail,Mn,vdz,0.25620999999999583,0.0,0.2689000000000021
SC-GW,trail,Fe,vdz,0.2705299999999937,0.0,0.2845800000000054
SC-GW,trail,Mn,vtz,0.2597200000000157,0.0,0.2715199999999953
SC-GW,trail,Cr,vtz,0.25268000000001223,0.0,0.2479399999999856
SC-GW,trail,Ti,vtz,0.2390099999999933,0.0,0.2503899999999959
SC-GW,trail,Sc,vtz,0.2309399999999968,0.0,0.2408099999999962
SC-GW,trail,V,vdz,0.2408399999999915,0.0,0.2492699999999957
SC-GW,trail,Ti,vdz,0.2360400000000027,0.0,0.24903000000000475
SCAN,trail,Cu,cbs,0.30272921579214085,0.0,0.2841470213631112
SCAN,trail,Fe,cbs,0.267809561973138,0.0,0.2905620501950921
SCAN,trail,Sc,cbs,0.22648296392686265,0.0,0.2413455957636188
SCAN,trail,Cr,cbs,0.2735429017049569,0.0,0.24923518576329684
SCAN,trail,Mn,cbs,0.2415562189513309,0.0,0.27322206028034657
SCAN,trail,V,cbs,0.2263085048990092,0.0,0.24822199948989976
SCAN,trail,Ti,cbs,0.2308714775645484,0.0,0.2512654527442706
SEET(FCI/GF2),trail,Ti,vtz,0.2515000000000001,0.0,0.2503899999999959
SEET(FCI/GF2),trail,Fe,vqz,0.2886000000000024,0.0,0.28966000000001196
SEET(FCI/GF2),trail,Fe,vtz,0.28839999999999577,0.0,0.28863000000001193
SEET(FCI/GF2),trail,Mn,vqz,0.2756000000000114,0.0,0.2722899999999981
SEET(FCI/GF2),trail,Mn,vtz,0.276299999999992,0.0,0.2715199999999953
SEET(FCI/GF2),trail,Mn,vdz,0.27020000000000266,0.0,0.2689000000000021
SEET(FCI/GF2),trail,Cr,vqz,0.24689999999999654,0.0,0.2489399999999904
SEET(FCI/GF2),trail,Cr,vtz,0.24759999999999135,0.0,0.2479399999999856
SEET(FCI/GF2),trail,Cr,vdz,0.2402000000000015,0.0,0.23962000000000214
SEET(FCI/GF2),trail,Fe,vdz,0.2780000000000058,0.0,0.2845800000000054
SEET(FCI/GF2),trail,V,vtz,0.2506000000000057,0.0,0.24943000000000384
SEET(FCI/GF2),trail,V,vdz,0.25090000000000146,0.0,0.2492699999999957
SEET(FCI/GF2),trail,Ti,vqz,0.2511999999999972,0.0,0.25043999999999755
SEET(FCI/GF2),trail,Ti,vdz,0.2527000000000044,0.0,0.24903000000000475
SEET(FCI/GF2),trail,Sc,vqz,0.24110000000000295,0.0,0.2408900000000003
SEET(FCI/GF2),trail,Sc,vtz,0.23920000000000385,0.0,0.2408099999999962
SEET(FCI/GF2),trail,V,vqz,0.2471000000000032,0.0,0.2481900000000081
SEET(FCI/GF2),trail,Sc,vdz,0.2386999999999944,0.0,0.24002000000000126
SHCI,trail,Mn,vtz,0.2715199999999953,1.0098024559288809e-06,0.2715199999999953
SHCI,trail,Cr,vtz,0.2479399999999856,4.910244393103056e-07,0.2479399999999856
SHCI,trail,V,vtz,0.24943000000000384,1.0298218292500892e-06,0.24943000000000384
SHCI,trail,Ti,vtz,0.2503899999999959,3.7140005385029226e-07,0.2503899999999959
SHCI,trail,Sc,vtz,0.2408099999999962,8.800000000000002e-08,0.2408099999999962
SHCI,trail,Cu,vdz,0.26966999999999075,1.8707698949897601e-06,0.26966999999999075
SHCI,trail,Cr,vdz,0.23962000000000214,1.322573249389235e-07,0.23962000000000214
SHCI,trail,Mn,vdz,0.2689000000000021,4.5793012567421245e-07,0.2689000000000021
SHCI,trail,V,vdz,0.2492699999999957,3.2756678708318404e-07,0.2492699999999957
SHCI,trail,Ti,vdz,0.24903000000000475,2.262675407565124e-07,0.24903000000000475
SHCI,trail,Sc,vdz,0.24002000000000126,5.4e-08,0.24002000000000126
SHCI,trail,Fe,vtz,0.28863000000001193,7.865888379579256e-07,0.28863000000001193
SHCI,trail,Cu,v5z,0.28356999999999744,1.1356143711665505e-06,0.28356999999999744
SHCI,trail,Fe,vdz,0.2845800000000054,6.570509873670382e-07,0.2845800000000054
SHCI,trail,Cu,vtz,0.2815999999999974,7.957267118804043e-07,0.2815999999999974
SHCI,trail,Fe,v5z,0.28996999999999673,2.0025983121934365e-07,0.28996999999999673
SHCI,trail,Ti,vqz,0.25043999999999755,2.356881201927666e-06,0.25043999999999755
SHCI,trail,Sc,vqz,0.2408900000000003,1.460457462578079e-06,0.2408900000000003
SHCI,trail,Mn,v5z,0.2725799999999907,4.9e-08,0.2725799999999907
SHCI,trail,Cr,v5z,0.2490499999999969,0.0,0.2490499999999969
SHCI,trail,V,v5z,0.24801000000000786,0.0,0.24801000000000786
SHCI,trail,Sc,v5z,0.2409800000000004,1.398e-05,0.2409800000000004
SHCI,trail,Ti,v5z,0.2507000000000019,0.0,0.2507000000000019
SHCI,trail,Fe,vqz,0.28966000000001196,1.659629127245e-05,0.28966000000001196
SHCI,trail,V,vqz,0.2481900000000081,1.0035385592990436e-05,0.2481900000000081
SHCI,trail,Cr,vqz,0.2489399999999904,1.764e-06,0.2489399999999904
SHCI,trail,Mn,vqz,0.2722899999999981,4.122805476856748e-06,0.2722899999999981
SHCI,trail,Cu,vqz,0.2829899999999839,2.0027784300815706e-05,0.2829899999999839
UCCSD,trail,Cu,v5z,0.27685618257618216,0.0,0.28356999999999744
UCCSD,trail,Fe,v5z,0.2837883566852071,0.0,0.28996999999999673
UCCSD,trail,Mn,v5z,0.2669092032338369,0.0,0.2725799999999907
UCCSD,trail,Cr,v5z,0.2457422623846241,0.0,0.2490499999999969
UCCSD,trail,V,v5z,0.24304281990720256,0.0,0.24801000000000786
UCCSD,trail,Ti,v5z,0.2451099635871117,0.0,0.2507000000000019
UCCSD,trail,Sc,v5z,0.2360305149815787,0.0,0.2409800000000004
UCCSD,trail,Cu,vqz,0.2763381218124721,0.0,0.2829899999999839
UCCSD,trail,Mn,vqz,0.2666902542759999,0.0,0.2722899999999981
UCCSD,trail,Cr,vqz,0.24565949747679386,0.0,0.2489399999999904
UCCSD,trail,V,vqz,0.2434616700487453,0.0,0.2481900000000081
UCCSD,trail,Fe,vqz,0.2835120500768511,0.0,0.28966000000001196
UCCSD,trail,Sc,vqz,0.2360360619892603,0.0,0.2408900000000003
UCCSD,trail,Sc,vdz,0.23626174856565285,0.0,0.24002000000000126
UCCSD,trail,Ti,vdz,0.24496158759981054,0.0,0.24903000000000475
UCCSD,trail,Ti,vqz,0.2450910618880897,0.0,0.25043999999999755
UCCSD,trail,Cr,vdz,0.2380649661993033,0.0,0.23962000000000214
UCCSD,trail,Mn,vdz,0.2650396218039077,0.0,0.2689000000000021
UCCSD,trail,Fe,vdz,0.2806449033851948,0.0,0.2845800000000054
UCCSD,trail,Cu,vdz,0.2648830576123657,0.0,0.26966999999999075
UCCSD,trail,V,vdz,0.2450851265156331,0.0,0.2492699999999957
UCCSD,trail,Ti,vtz,0.24526026155668035,0.0,0.2503899999999959
UCCSD,trail,V,vtz,0.2447565223687889,0.0,0.24943000000000384
UCCSD,trail,Cr,vtz,0.24503903692168194,0.0,0.2479399999999856
UCCSD,trail,Mn,vtz,0.2663159102920929,0.0,0.2715199999999953
UCCSD,trail,Fe,vtz,0.2830268164155285,0.0,0.28863000000001193
UCCSD,trail,Cu,vtz,0.27527593745654144,0.0,0.2815999999999974
UCCSD,trail,Sc,vtz,0.2361717445413518,0.0,0.2408099999999962
UCCSD(T),trail,Sc,vdz,0.2393540193629917,0.0,0.24002000000000126
UCCSD(T),trail,Ti,vdz,0.24828164310982714,0.0,0.24903000000000475
UCCSD(T),trail,V,vdz,0.2485674710278403,0.0,0.2492699999999957
UCCSD(T),trail,Cr,vdz,0.2393997612178396,0.0,0.23962000000000214
UCCSD(T),trail,Mn,vdz,0.2685135362038267,0.0,0.2689000000000021
UCCSD(T),trail,Fe,vdz,0.2841568237427765,0.0,0.2845800000000054
UCCSD(T),trail,Cu,vdz,0.26937062628510944,0.0,0.26966999999999075
UCCSD(T),trail,Sc,vtz,0.2399896899150775,0.0,0.2408099999999962
UCCSD(T),trail,Ti,vtz,0.2494830572780131,0.0,0.2503899999999959
UCCSD(T),trail,Mn,vtz,0.2710527884982241,0.0,0.2715199999999953
UCCSD(T),trail,Cr,vtz,0.2477682748994141,0.0,0.2479399999999856
UCCSD(T),trail,V,vtz,0.2483643124375874,0.0,0.24943000000000384
UCCSD(T),trail,Cu,v5z,0.2838476981013116,0.0,0.28356999999999744
UCCSD(T),trail,Fe,v5z,0.2894255123132581,0.0,0.28996999999999673
UCCSD(T),trail,Mn,v5z,0.27205359857126155,0.0,0.2725799999999907
UCCSD(T),trail,Cr,v5z,0.248926947412528,0.0,0.2490499999999969
UCCSD(T),trail,V,v5z,0.2467875716076833,0.0,0.24801000000000786
UCCSD(T),trail,Ti,v5z,0.24964557362675774,0.0,0.2507000000000019
UCCSD(T),trail,Sc,v5z,0.2400892439066027,0.0,0.2409800000000004
UCCSD(T),trail,Sc,vqz,0.2400136264338997,0.0,0.2408900000000003
UCCSD(T),trail,Fe,vqz,0.2890008676175455,0.0,0.28966000000001196
UCCSD(T),trail,Mn,vqz,0.27171317470521217,0.0,0.2722899999999981
UCCSD(T),trail,Cr,vqz,0.2487183607814529,0.0,0.2489399999999904
UCCSD(T),trail,V,vqz,0.24711336079134585,0.0,0.2481900000000081
UCCSD(T),trail,Ti,vqz,0.24952833924742635,0.0,0.25043999999999755
UCCSD(T),trail,Cu,vtz,0.2816443130247137,0.0,0.2815999999999974
UCCSD(T),trail,Cu,vqz,0.2831428779836074,0.0,0.2829899999999839
UCCSD(T),trail,Fe,vtz,0.2881253618440951,0.0,0.28863000000001193
iFCIQMC,trail,V,vqz,0.2474229999999977,1.7454409185074125e-05,0.2481900000000081
iFCIQMC,trail,Fe,vqz,0.2888309999999876,1.8827904822364065e-05,0.28966000000001196
iFCIQMC,trail,Sc,vqz,0.24047500000000355,6.789005818232887e-06,0.2408900000000003
iFCIQMC,trail,Cr,vqz,0.2493380000000087,2.3706539182259397e-05,0.2489399999999904
iFCIQMC,trail,Cr,vtz,0.2482169999999968,9.06291895583316e-05,0.2479399999999856
iFCIQMC,trail,Cu,vqz,0.2822370000000092,8.58633798542778e-05,0.2829899999999839
iFCIQMC,trail,Ti,vqz,0.2508940000000024,1.4682356759049277e-05,0.25043999999999755
iFCIQMC,trail,Mn,vqz,0.2717489999999998,1.801866809728177e-05,0.2722899999999981
iFCIQMC,trail,Fe,vtz,0.28797199999999634,0.0001377425134081704,0.28863000000001193
iFCIQMC,trail,V,vtz,0.2485199999999992,7.510825520540335e-05,0.24943000000000384
iFCIQMC,trail,Ti,vtz,0.24942500000000226,0.00011481467676216312,0.2503899999999959
iFCIQMC,trail,Sc,vtz,0.2402270000000044,5.692038299238682e-05,0.2408099999999962
iFCIQMC,trail,Mn,vtz,0.2708499999999958,0.00015755345124750518,0.2715199999999953
iFCIQMC,trail,Sc,vdz,0.2399059999999977,2.4158849310345887e-06,0.24002000000000126
iFCIQMC,trail,V,vdz,0.2487689999999958,4.205454077742377e-05,0.2492699999999957
iFCIQMC,trail,Fe,vdz,0.28449799999999925,5.662067555231041e-05,0.2845800000000054
iFCIQMC,trail,Ti,vdz,0.24850099999999745,7.045963383384843e-05,0.24903000000000475
iFCIQMC,trail,Cu,vdz,0.27030600000000504,0.00012993598423839334,0.26966999999999075
iFCIQMC,trail,Cr,vdz,0.23951999999999884,4.1349486091123306e-05,0.23962000000000214
iFCIQMC,trail,Cu,vtz,0.28144399999999337,0.0004341082814229648,0.2815999999999974
iFCIQMC,trail,Mn,vdz,0.2687159999999835,5.774504307730665e-05,0.2689000000000021