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All instances / Hydrogen chain

Hydrogen chain H10 chain, open, R = 2, STO-6G

Exact energy and best values (rules §6)

exact -0.5389626 FCI
10.1103/PhysRevX.7.031059 · the instance is solved
best variational -0.5389626 DMRG
10.1103/PhysRevX.7.031059 · the lowest unflagged variational energy, a strict variational bound
best projected -0.538963 CCSDTQ
arXiv:1904.01131 · the lowest unflagged projected energy, a projected estimate, which depends on its node or constraint
best approximate -0.5380497 UCCSD(T)
10.1103/PhysRevX.7.031059 · the lowest unflagged approximate energy, an approximate method, whose error has no known sign

Energies as E/N (Ha). Classes are different claims and are not ranked against each other.

The Hamiltonian

H = −½ ∑i ∇i2 − ∑i,I 1/|ri − RI| + ∑i<j 1/|ri − rj| + ∑I<J 1/|RI − RJ|

Hydrogen chain: 10 protons equally spaced on a line, spacing R = 2 bohr, open (a finite molecule); N↑ = 5, N↓ = 5. Projected onto the STO-6G basis set; full CI in it is this instance's exact energy. Hartree atomic units, nuclear repulsion included; the energy per atom is E/N.

geometry
chain
atoms
10
boundary
open
N_up
5
N_dn
5
R
2
basis
STO-6G
energies
23

Stored as a total energy in Hartree, nuclear repulsion included (rules §13); quoted here as E/N (Ha), the energy per atom (how the conversion works).

Every published energy

Grouped by what the number is. The exact energy comes first where there is one; in every other group the lowest unflagged energy is its best value, and each row's distance is to that best (rules §6).

Numerically exact (1)

Exact diagonalization, an exact solution, or sign-problem-free QMC where that is established. An exact energy is shown first, before the best of each other class. QMC is exact only within its error bar, which it must state, and reads exact (stochastic); an exact diagonalization outranks it. For a diagonalization resolved by symmetry sector only the ground state's sector is listed; the lowest energies of the other sectors are the instance's spectrum, in its JSON, and are not shown as the exact energy.

E/N (Ha)distance to class bestσVar(E)V-score methodsourcecodeyearcomment
-0.5389626exact 0 n/a n/a n/a FCI
peer reviewed
 10.1103/PhysRevX.7.031059 2017

Strict variational upper bounds (4)

Energies that a variational state reached (VMC, DMRG and MPS at finite bond dimension, PEPS, NQS, VQE). Each is an upper bound on the ground-state energy.

E/N (Ha)distance to class bestσVar(E)V-score methodsourcecodeyearcomment
-0.5389626best variational 0 n/a n/a n/a DMRG
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.5389626 <1e-7 n/a n/a n/a MRCI
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.523137 1.6e-2 n/a n/a n/a HF
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.520347 1.9e-2 n/a n/a n/a HF
peer reviewed
 10.1103/PhysRevX.7.031059 2017

Projected or fixed-node estimates (12)

Variational only within a constraint: fixed-node, constrained-path, GFMC on a trial state. Each depends on its node or constraint, so two of them are not cleanly comparable to each other or to strict bounds.

E/N (Ha)distance to class bestσVar(E)V-score methodsourcecodeyearcomment
-0.539073 −1.1e-4 n/a n/a n/a CCSDT
below exact by > 2σ preprint
 arXiv:1904.01131 n/a
-0.539003 −4.0e-5 n/a n/a n/a MkMRCCSD
below exact by > 2σ preprint
 arXiv:1904.01131 n/a
-0.538963best projected 0 n/a n/a n/a CCSDTQ
preprint
 arXiv:1904.01131 n/a
-0.5389626 <1e-6 n/a n/a n/a MRCI+Q
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.53878 1.8e-4 2.0e-5 n/a n/a ph-AFQMC (UHF)
preprint
 arXiv:2605.02056 rr637/QC-AFQMC n/a
-0.5387457 2.2e-4 n/a n/a n/a RCCSD
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.53874 2.2e-4 5.0e-5 n/a n/a ph-AFQMC
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.5383405 6.2e-4 n/a n/a n/a SEET
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.5383377 6.3e-4 n/a n/a n/a SEET
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.5376947 1.3e-3 n/a n/a n/a SEET
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.5375277 1.4e-3 n/a n/a n/a DMET
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.537504 1.5e-3 n/a n/a n/a UCCSD
peer reviewed
 10.1103/PhysRevX.7.031059 2017

Approximate methods (no bound) (6)

Methods that converge to a fixed approximation and not to the exact energy: RPA, finite-order perturbation theory, coupled cluster restricted to some of its terms. Their error has no known sign, so they are compared only with each other (rules §4).

E/N (Ha)distance to class bestσVar(E)V-score methodsourcecodeyearcomment
-0.539183 −1.1e-3 n/a n/a n/a MkMRCCSD(T)
below exact by > 2σ preprint
 arXiv:1904.01131 n/a
-0.5389665 −9.2e-4 n/a n/a n/a RCCSD(T)
below exact by > 2σ peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.5380497best approximate 0 n/a n/a n/a UCCSD(T)
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.535304 2.7e-3 n/a n/a n/a GW
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.531852 6.2e-3 n/a n/a n/a GF2
peer reviewed
 10.1103/PhysRevX.7.031059 2017
-0.531852 6.2e-3 n/a n/a n/a GF2
peer reviewed
 10.1103/PhysRevX.7.031059 2017

How these numbers were read

Where each number below was read, and how it was checked.

-0.539183, 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 -5.38963 Ha (total) + difference -2.2 mHa = -5.391830 Ha

Table II, R = 2 row; sources/1904.01131.txt line 1757; 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

-0.539073, 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 -5.38963 Ha (total) + difference -1.1 mHa = -5.390730 Ha

Table II, R = 2 row; sources/1904.01131.txt line 1757; 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

-0.539003, 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 -5.38963 Ha (total) + difference -0.4 mHa = -5.390030 Ha

Table II, R = 2 row; sources/1904.01131.txt line 1757; 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

-0.5389665, 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. -0.538966 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/RCCSD(T)_basis-STO: -5.389665 | 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.

-0.538963, 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 -5.38963 Ha (total) + difference 0.0 mHa = -5.389630 Ha

Table II, R = 2 row; sources/1904.01131.txt line 1757; 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

-0.5389626, 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. -5.389626 (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_2.0/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

-0.5389626, 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. -0.538963 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/FCI_basis-STO: -5.38962588 | 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.

-0.5389626, 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. -5.38962588 (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_2.0/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).

-0.5389626, 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. -5.38962588 (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_2.0/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).

-0.53878(2), 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. −5.3878(2) Ha per total

Table III; sources/2605.02056.txt line 1244; 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

-0.5387457, 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. -0.538745 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/RCCSD_basis-STO: -5.387457 | 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.

-0.53874(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. -0.53874(5) per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/AFQMC_basis-STO: -5.3874 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.

-0.5383405, 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. -0.5383 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/SEET_CI-HF_mix(6,SAO)_basis-STO: -5.383404869 | 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.

-0.5383377, 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. -0.5383 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/SEET_CI-GF2_mix(6,SAO)_basis-STO: -5.383376713 | 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.

-0.5380497, 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. -0.538049 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/UCCSD(T)_basis-STO: -5.380497 | 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.

-0.5376947, 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. -0.5376 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/SEET_CI-HF_mix(4,SAO)_basis-STO: -5.376946607 | 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.

-0.5375277, 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. -0.537527 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/DMET_2_basis-STO: -5.375277 | 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.

-0.537504, 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. -0.537504 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/UCCSD_basis-STO: -5.375040 | 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.

-0.535304, 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. -0.535304 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/SC-GW_basis-STO: -5.35304 | 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.

-0.531852, 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. -5.31852048 (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_2.0/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.

-0.531852, 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. -0.531852 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/GF2_basis-STO: -5.318520477 | 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.

-0.523137, 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. -0.523137 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/UHF_basis-STO: -5.23136518718 | 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.

-0.520347, 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. -0.520347 per atom

Table II, R = 2 row; sources/1705.01608.txt line 1257; 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_2.0/RHF_basis-STO: -5.2034704915 | 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.

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Newest published number here: 2017.

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