How these numbers were read
Where each number below was read, and how it was checked.
-0.5615634, DMET
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -28.078172 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/DMET_5_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.56049(1), ph-AFQMC
Checked 2026-10-20 · source text of arXiv:1804.03310 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading (Sonnet reader)
Reported as. -125.2246(5) Ha per total; electronic energy as printed, nuclear repulsion 97.200148 Ha (point protons, N = 50, R as printed) added by the generator (RULES.md §13.2)
Table II; sources/1804.03310.txt line 288; version read: arXiv text; journal copy not reached (publisher returned HTTP 403 or a login page, 2026-10-21); read again when reachable (RULES.md §8) | caption 'Total electronic energies [Ha] of H50 at R = 1.8 Bohr in the cc-pVDZ basis' (l.278); magnitude about -125 Ha vs about -27 Ha expected for total energy of 50 H suggests nuclear repulsion excluded | boundary not stated (open assumed); nuclear repulsion inferred from magnitude, check against Motta et al. before loading | reader confidence medium
-0.56048(2), ph-AFQMC
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -28.0241 0.0008 (total for N = 50; second number the stated uncertainty)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/AFQMC_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.56048(1), ph-AFQMC
Checked 2026-10-20 · source text of arXiv:1804.03310 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading (Sonnet reader)
Reported as. -125.2239(6) Ha per total; electronic energy as printed, nuclear repulsion 97.200148 Ha (point protons, N = 50, R as printed) added by the generator (RULES.md §13.2)
Table II; sources/1804.03310.txt line 287; version read: arXiv text; journal copy not reached (publisher returned HTTP 403 or a login page, 2026-10-21); read again when reachable (RULES.md §8) | caption 'Total electronic energies [Ha] of H50 at R = 1.8 Bohr in the cc-pVDZ basis' (l.278); magnitude about -125 Ha vs about -27 Ha expected for total energy of 50 H suggests nuclear repulsion excluded | boundary not stated (open assumed); nuclear repulsion inferred from magnitude, check against Motta et al. before loading | reader confidence medium
-0.560418, DMRG
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -28.0209 0.0001 (total for N = 50; second number the stated uncertainty)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/DMRG_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom. | Read as the variational energy of the final sweep at bond dimension D = 2000 (Appendix A runs Block with the standard settings of Ref. [66], whose schedule ends at the maximum M; the paper names no extrapolation in the bond dimension). Medium confidence: Ref. [66] also describes extrapolation to zero discarded weight, and the paper does not say whether these energies were extrapolated (ruled 2026-10-24). | reader confidence medium
-0.56024(1), ph-AFQMC
Checked 2026-10-20 · source text of arXiv:1804.03310 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading (Sonnet reader)
Reported as. -125.2119(6) Ha per total; electronic energy as printed, nuclear repulsion 97.200148 Ha (point protons, N = 50, R as printed) added by the generator (RULES.md §13.2)
Table II; sources/1804.03310.txt line 286; version read: arXiv text; journal copy not reached (publisher returned HTTP 403 or a login page, 2026-10-21); read again when reachable (RULES.md §8) | caption 'Total electronic energies [Ha] of H50 at R = 1.8 Bohr in the cc-pVDZ basis' (l.278); magnitude about -125 Ha vs about -27 Ha expected for total energy of 50 H suggests nuclear repulsion excluded | boundary not stated (open assumed); nuclear repulsion inferred from magnitude, check against Motta et al. before loading | Density-fitted two-electron integrals: the energy belongs to the cc-pVDZ Hamiltonian with fitted integrals, an approximation of order 1e-5 Ha. Kept on the cc-pVDZ instance as projected (ruled 2026-10-24). | reader confidence medium
-0.56021(1), ph-AFQMC
Checked 2026-10-20 · source text of arXiv:1804.03310 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading (Sonnet reader)
Reported as. -125.2107(7) Ha per total; electronic energy as printed, nuclear repulsion 97.200148 Ha (point protons, N = 50, R as printed) added by the generator (RULES.md §13.2)
Table II; sources/1804.03310.txt line 285; version read: arXiv text; journal copy not reached (publisher returned HTTP 403 or a login page, 2026-10-21); read again when reachable (RULES.md §8) | caption 'Total electronic energies [Ha] of H50 at R = 1.8 Bohr in the cc-pVDZ basis' (l.278); magnitude about -125 Ha vs about -27 Ha expected for total energy of 50 H suggests nuclear repulsion excluded | boundary not stated (open assumed); nuclear repulsion inferred from magnitude, check against Motta et al. before loading | Density-fitted two-electron integrals: the energy belongs to the cc-pVDZ Hamiltonian with fitted integrals, an approximation of order 1e-5 Ha. Kept on the cc-pVDZ instance as projected (ruled 2026-10-24). | reader confidence medium
-0.5601304, RCCSD(T)
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -28.00652 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/RCCSD(T)_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.5597484, UCCSD(T)
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -27.98742 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/UCCSD(T)_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.5592242, RCCSD
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -27.96121 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/RCCSD_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.5589306, UCCSD
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -27.94653 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/UCCSD_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.5582362, DMET
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -27.911810 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/DMET_2_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.5377866, HF
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -26.889329 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/UHF_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.
-0.5358623, HF
Checked 2026-10-20 · dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0; source text of arXiv:1705.01608 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. -26.7931157 (total for N = 50)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_50_OBC/R_1.8/RHF_basis-DZ in sources/1705.01608-data-b99a183.tsv; number first printed in the dataset (RULES.md §8), the paper is the method reference | Hartree, lengths in bohr (Appendix B). Total energies with nuclear repulsion: FCI/STO-6G H10 at R = 1.8 is -5.42438538 in the dataset and -0.542439 per atom in Table II, and the paper's FCI E_inf = -0.471039 is the STO-6G hydrogen-atom energy per atom.