diff --git a/problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json b/problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json index da1a372..c7258a8 100644 --- a/problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json +++ b/problem_instances/problem_instance.blue_dimer.dc8bdc56-5ebd-4996-6b81-81b1a06d8c76.json @@ -150,7 +150,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2453.383139874957, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 2.433247829503012e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -279,7 +286,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2453.722353799089, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 3.051324152993481e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -414,7 +428,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2454.500248971286, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 3.725829650051142e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -678,7 +699,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2452.705783831708, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 4.910340810039335e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -807,7 +835,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2452.785072302863, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.519686441347251e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -1206,7 +1241,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2454.211638595410, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 5.218184279071702e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -1335,7 +1377,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2454.563249138352, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 2.343907830069505e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -1470,7 +1519,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2454.622490265655, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.765383516274419e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -1607,7 +1663,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2454.679201689047, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.555460101267775e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { diff --git a/problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json b/problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json index 669e55e..69d75b0 100644 --- a/problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json +++ b/problem_instances/problem_instance.fe_red.a8895776-3583-4884-fbc7-d6f9df21a7ac.json @@ -110,7 +110,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.687414514583, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.351069374313412e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -202,7 +209,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.816535546089, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 5.971537341314614e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -296,7 +310,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.878328984242, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 5.423147387322334e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -383,7 +404,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.707486407847, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 2.931065608763305e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -475,7 +503,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.825891046245, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 2.025065279660474e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -656,7 +691,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.788336147052, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.497979623848037e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -842,7 +884,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2592.911124291167, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 6.127077584318205e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { diff --git a/problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json b/problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json index 25b5b60..f5511fd 100644 --- a/problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json +++ b/problem_instances/problem_instance.ru_macho.b78a10f2-ce8a-43c0-69ec-4cf666d8e85c.json @@ -62,7 +62,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -187.7214139911880, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.830587056390337e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. 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See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -168,7 +182,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -380.8881748288609, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 7.562428427179291e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -275,7 +296,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2021.175594529969, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.166686437303779e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -390,7 +418,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2021.356651702967, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 5.534781287816805e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -506,7 +541,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2208.990491372022, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 7.163538789399928e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -630,7 +672,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2209.163580420163, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 6.127282648169622e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -756,7 +805,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2402.040506564869, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.487905299500883e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -890,7 +946,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "enery_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -2402.219494504201, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 9.802672778684904e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { diff --git a/problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json b/problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json index 6ca6265..17d4ba2 100644 --- a/problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json +++ b/problem_instances/problem_instance.ru_mono.7213642b-5f16-48be-d5e5-2bc42ebb8526.json @@ -131,7 +131,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -1722.886930507167, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.415714592318990e-03, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -241,7 +248,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -1723.022656367642, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 3.283422985373298e-01, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. The uncertainty is from the fit." }, "supporting_files": [ { @@ -350,7 +364,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -1796.945217268863, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 7.771956705264206e-02, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Forward schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. 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The uncertainty is from the fit." }, "supporting_files": [ { @@ -571,7 +599,14 @@ "time_limit_seconds": 172800, "accuracy": 1.0, "energy_units": "millihartree", - "energy_target": 0.99 + "energy_target": 0.99, + "reference_energy": -1723.455357141506, + "reference_energy_units": "hartree", + "reference_energy_uncertainty": 1.762651759865861e-05, + "reference_energy_uncertainty_units": "millihartree", + "reference_energy_source": "Calculated with Block2 (https://block2.readthedocs.io/)", + "reference_energy_method": "DMRG with linear extrapolation to zero discarded weight. Reverse schedule used with orbital ordering based on genetic algorithm optimization with the exchange matrix. See DRMG section of arXiv:2406.06335.", + "reference_energy_uncertainty_type": "value +/- uncertainty gives a 95% confidence interval. 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