How these numbers were read
Where each number below was read, and how it was checked.
-0.508294, CCSDT
Checked 2026-10-20 · source text of arXiv:1904.01131 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. FCI -5.05024 Ha (total) + difference -32.7 mHa = -5.082940 Ha
Table II, R = 2.8 row; sources/1904.01131.txt line 1759; difference = method - FCI (settled 2026-10-21 from the text); version read: arXiv text | Totals in Hartree with nuclear repulsion: the FCI column equals the 2017 STO-6G FCI totals to 5 decimals. | reader confidence medium
-0.5074866, RCCSD(T)
Checked 2026-10-20 · 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. -0.507486 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/RCCSD(T)_basis-STO: -5.074866 | 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.
-0.5067298, RCCSD
Checked 2026-10-20 · 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. -0.506729 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/RCCSD_basis-STO: -5.067298 | 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.
-0.505914, MkMRCCSD(T)
Checked 2026-10-20 · source text of arXiv:1904.01131 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. FCI -5.05024 Ha (total) + difference -8.9 mHa = -5.059140 Ha
Table II, R = 2.8 row; sources/1904.01131.txt line 1759; difference = method - FCI (settled 2026-10-21 from the text); version read: arXiv text | Totals in Hartree with nuclear repulsion: the FCI column equals the 2017 STO-6G FCI totals to 5 decimals. | perturbative triples on coupled cluster, RULES.md §13.4 (provisional, 2026-10-21) | reader confidence medium
-0.50507(5), ph-AFQMC
Checked 2026-10-20 · 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. -0.50507(5) per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/AFQMC_basis-STO: -5.0507 0.0005 | 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.
-0.50503(1), ph-AFQMC (UHF)
Checked 2026-10-20 · source text of arXiv:2605.02056 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. −5.0503(1) Ha per total
Table III; sources/2605.02056.txt line 1246; version read: arXiv text; no journal version found | header "R(Bohr)", "This work (Ha)", caption "AFQMC(UHF) total energies for H10"; magnitude matches total energy incl. nuclear repulsion (H10 R=1.8 STO-6G ~ -5.42) | unicode minus sign U+2212 as printed
-0.5050245, MRCI+Q
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. -5.05024496 (total for N = 10)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_10_OBC/R_2.8/MRCI+Q_basis-STO 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. | In STO-6G the (10,10) CASSCF reference spans the whole orbital space (one 1s function per atom), so MRCI equals CASSCF equals full CI here and the Davidson correction vanishes. Kept as the paper's published row, no extra exact row (ruled 2026-10-24).
-0.5050245, MRCI
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. -5.05024496 (total for N = 10)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_10_OBC/R_2.8/MRCI_basis-STO 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. | In STO-6G the (10,10) CASSCF reference spans the whole orbital space (one 1s function per atom), so MRCI equals CASSCF equals full CI here and the Davidson correction vanishes. Kept as the paper's published row, no extra exact row (ruled 2026-10-24).
-0.5050245, FCI
Checked 2026-10-20 · 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. -0.505024 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/FCI_basis-STO: -5.05024496 | 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.
-0.5050244, 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. -5.050244 (total for N = 10)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_10_OBC/R_2.8/DMRG_basis-STO 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
-0.504964, CCSDTQ
Checked 2026-10-20 · source text of arXiv:1904.01131 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. FCI -5.05024 Ha (total) + difference 0.6 mHa = -5.049640 Ha
Table II, R = 2.8 row; sources/1904.01131.txt line 1759; difference = method - FCI (settled 2026-10-21 from the text); version read: arXiv text | Totals in Hartree with nuclear repulsion: the FCI column equals the 2017 STO-6G FCI totals to 5 decimals. | reader confidence medium
-0.504964, MkMRCCSD
Checked 2026-10-20 · source text of arXiv:1904.01131 read locally (pypdf layout text; the generator finds every value again on its line), no LLM transcription of numbers; single reading
Reported as. FCI -5.05024 Ha (total) + difference 0.6 mHa = -5.049640 Ha
Table II, R = 2.8 row; sources/1904.01131.txt line 1759; difference = method - FCI (settled 2026-10-21 from the text); version read: arXiv text | Totals in Hartree with nuclear repulsion: the FCI column equals the 2017 STO-6G FCI totals to 5 decimals. | reader confidence medium
-0.5045585, SEET
Checked 2026-10-20 · 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. -0.5045 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/SEET_CI-GF2_mix(6,SAO)_basis-STO: -5.045584568 | 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.
-0.5044724, SEET
Checked 2026-10-20 · 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. -0.5044 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/SEET_CI-HF_mix(6,SAO)_basis-STO: -5.044724134 | 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.
-0.5034652, SEET
Checked 2026-10-20 · 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. -0.5034 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/SEET_CI-HF_mix(4,SAO)_basis-STO: -5.034651622 | 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.
-0.5032208, DMET
Checked 2026-10-20 · 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. -0.503220 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/DMET_2_basis-STO: -5.032208 | 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.
-0.5029597, UCCSD(T)
Checked 2026-10-20 · 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. -0.502959 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/UCCSD(T)_basis-STO: -5.029597 | 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.
-0.5028207, UCCSD
Checked 2026-10-20 · 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. -0.502820 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/UCCSD_basis-STO: -5.028207 | 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.
-0.493748, GF2
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. -4.93747993 (total for N = 10)
dataset github.com/simonsfoundation/hydrogen-benchmark-PRX, commit b99a183 (2017-10-09, uploaded by the authors), CC BY 4.0, file N_10_OBC/R_2.8/UGF2_basis-STO 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.
-0.491183, HF
Checked 2026-10-20 · 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. -0.491183 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/UHF_basis-STO: -4.91182602506 | 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.
-0.488955, GW
Checked 2026-10-20 · 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. -0.488955 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/SC-GW_basis-STO: -4.88955 | 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.
-0.4853231, GF2
Checked 2026-10-20 · 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. -0.485323 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/GF2_basis-STO: -4.853231027 | 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.
-0.465843, HF
Checked 2026-10-20 · 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. -0.465843 per atom
Table II, R = 2.8 row; sources/1705.01608.txt line 1259; version read: journal PDF (PRX 7, 031059, APS, sources/1705.01608-PhysRevX.7.031059.txt) and arXiv text; the table values agree digit for digit. Dataset file N_10_OBC/R_2.8/RHF_basis-STO: -4.6584287534 | 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.