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All instances / Electron gas, 3D

Electron gas, 3D sc cell, N = 54, rs = 2, unpolarized

Record

-0.01429(3) E/N (Ha)

ph-AFQMC (RHF trial, time step 0.005 a.u., 2880 walkers; basis M=1419 (Table V caption: 'Both ph-AFQMC and i-FCIQMC numbers are obtained from M = 1419)

10.1063/1.5109572 · lowest unflagged energy published, a projected estimate (rules §6)

The Hamiltonian

H = −½ ∑i ∇i2 + ∑i<j vE(ri − rj) + Nξ/2

Homogeneous electron gas in 3D: N↑ = 27, N↓ = 27 in a periodic sc cell at rs = 2 bohr, Γ point. vE is the Ewald-summed Coulomb interaction with a uniform neutralizing background, ξ the Madelung term. Hartree atomic units; the energy per electron is E/N.

cell
sc
electrons
54
boundary
periodic
N_up
27
N_dn
27
rs
2
twist
Gamma
energies
16

Stored as a total energy in Hartree (rules §12); quoted here as E/N (Ha), the energy per electron (how the conversion works).

Every published energy

Grouped by what the number is. Where the instance is not solved, the lowest unflagged energy of any group is the record.

Strict variational upper bounds (7)

Where the instance is not solved, the record is the lowest unflagged energy in this group or among the projected and extrapolated ones, with or without an error bar; where it is solved, the exact energy is the record and the lowest of these is the closest challenger.

E/N (Ha)distance to recordσVar(E)V-score methodsourceyear
-0.014046 2.4e-4 8.0e-6 n/a n/a MP-NQS (plane-wave orbitals)
peer reviewed
10.1103/PhysRevB.110.035108 2024
-0.01390 3.9e-4 1.0e-5 n/a n/a MP-NQS (Gaussian orbitals on bcc sites)
peer reviewed
10.1103/PhysRevB.110.035108 2024
-0.013840 4.5e-4 1.0e-6 n/a n/a DeepSolid (1 determinant, 3 layers 256/32)
peer reviewed
10.1038/s41467-022-35627-1 2022
-0.01382 4.7e-4 2.0e-5 n/a n/a Slater-Jastrow-backflow (homogeneous backflow)
peer reviewed
10.1103/PhysRevE.74.066701 2006
-0.01252 1.8e-3 3.0e-5 n/a n/a Slater-Jastrow (three-electron Jastrow)
peer reviewed
10.1103/PhysRevE.74.066701 2006
-0.01246 1.8e-3 3.0e-5 n/a n/a Slater-Jastrow
peer reviewed
10.1103/PhysRevE.74.066701 2006
0.0186 3.3e-2 2.0e-4 n/a n/a Hartree-Fock (plane-wave determinant, VMC estimate)
peer reviewed
10.1103/PhysRevE.74.066701 2006

Projected or fixed-node estimates (4)

Variational only within a constraint: fixed-node, constrained-path, GFMC on a trial state. Node- or constraint-dependent, so not cleanly comparable to each other or to strict bounds. Like any unflagged energy, one holds the record where it is the lowest on an unsolved instance.

E/N (Ha)distance to recordσVar(E)V-score methodsourceyear
-0.01429record 0 3.0e-5 n/a n/a ph-AFQMC (RHF trial, time step 0.005 a.u., 2880 walkers; basis M=1419 (Table V caption: 'Both ph-AFQMC and i-FCIQMC numbers are obtained from M = 1419)
peer reviewed
10.1063/1.5109572 n/a
-0.013966 3.2e-4 9.0e-6 n/a n/a Fixed-node DMC (trial state: Slater-Jastrow-backflow; extrapolated: Δτ → 0)
peer reviewed
10.1103/PhysRevE.74.066701 2006
-0.01326 1.0e-3 2.0e-5 n/a n/a Fixed-node DMC (trial state: Slater-Jastrow)
peer reviewed
10.1103/PhysRevB.110.035108 2024
-0.01311 1.2e-3 2.0e-5 n/a n/a Fixed-node DMC (trial state: Slater-Jastrow; extrapolated: Δτ → 0)
peer reviewed
10.1103/PhysRevE.74.066701 2006

Extrapolations (5)

Zero-variance, bond-dimension or Trotter-error extrapolations. Not a bound: no ansatz reached the number itself. Like any unflagged energy, one holds the record where it is the lowest on an unsolved instance.

E/N (Ha)distance to recordσVar(E)V-score methodsourceyear
-0.01379 5.0e-4 n/a n/a n/a TC-DCD (correlator cutoff k_c = 2 × 2π/L; extrapolated: 1/M → 0 (complete basis))
peer reviewed
10.1103/PhysRevResearch.3.033072 2021
-0.01324 1.0e-3 n/a n/a n/a TC-CCD (correlator cutoff k_c = 2 × 2π/L; extrapolated: 1/M → 0 (complete basis))
peer reviewed
10.1103/PhysRevResearch.3.033072 2021
-0.01286 1.4e-3 n/a n/a n/a DCD (extrapolated: 1/M → 0 (complete basis))
peer reviewed
10.1103/PhysRevResearch.3.033072 2021
-0.01162 2.7e-3 n/a n/a n/a CCD (extrapolated: 1/M → 0 (complete basis))
peer reviewed
10.1103/PhysRevResearch.3.033072 2021
-0.0112326 3.1e-3 n/a n/a n/a CCD (full CCD (driver, ladders, rings, crossed-rings, mosaics); equals CCSD in the HEG; extrapolated: 1/M → 0 (complete basis))
peer reviewed
10.1063/1.4867783 n/a

How these numbers were read

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

-0.01429(3) — ph-AFQMC (RHF trial, time step 0.005 a.u., 2880 walkers;...

Checked 2026-10-19 · source text of arXiv:1905.04361 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. -0.01429(3)

Table V, rs=2.0, column ph-AFQMC; sources/1905.04361.txt line 677; printed in Ha per electron; version read: arXiv text in sources/; journal copy not read | Eq. (19) (txt line 210): H = T + Vee + E_M; txt lines 232-237: 'the Madelung energy E_M is included to account for the self-interaction of the Ewald sum under periodic boundary conditions. For simplicity we use the formula proposed by Schoof and co-workers' E_M ~ -2.837297 (3/4pi)^(1/3) N^(2/3)/rs (Eq. 22, txt line 238-239). So the Madelung term is included, but through the approximate closed form (Ref 76: T. Schoof, S. Groth, J. Vorberger, M. Bonitz, PRL 115, 130402 (2015)), not through a stated Ewald sum. No Hartree-Fock energy is printed. Reader's own check (python, scratch-R8/hf.py, NOT QM

-0.014046(8) — MP-NQS (plane-wave orbitals)

Checked 2026-10-16 · source text of arXiv:2305.07240 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.014046(8)

Table II (Appendix G), N=54 unpolarized, rs=2, column MP-NQS; sources/2305.07240.txt line 679; printed in Ha per electron; version read: arXiv text, Appendix G Tables I-V; APS copy not read | Ha per electron, simple cubic cell; Eq. 13 gives the Ewald sum and 'const.'. The WAP-net values it quotes equal arXiv:2202.04622's Table III (Madelung included) / 2 to 5e-7, and its own N = 14, rs = 1 energy sits 0.0376 Ha below QMBL's HF energy, as theirs does.

-0.013966(9) — Fixed-node DMC (trial state: Slater-Jastrow-backflow;...

Checked 2026-10-17 · source text of arXiv:0801.0518 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.013966(9)

Table I, rs=2.0, row BF, column ED; sources/0801.0518.txt line 256; printed in Ha per electron; version read: arXiv text, Table I; APS copy not read | Ha per electron, 54 electrons (27 + 27) in a simple cubic cell. The paper's Hartree-Fock energies (VMC of the plane-wave determinant) match QMBL's HF energy within their error bars at all six rs, e.g. 0.5689(4) against 0.569245 at rs = 1 (checks/heg-hf/convention-check-2026-10-17.json).

-0.01390(1) — MP-NQS (Gaussian orbitals on bcc sites)

Checked 2026-10-16 · source text of arXiv:2305.07240 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.01390(1)

Table II (Appendix G), N=54 unpolarized, rs=2, column MP-NQS (Gauss); sources/2305.07240.txt line 679; printed in Ha per electron; version read: arXiv text, Appendix G Tables I-V; APS copy not read | Ha per electron, simple cubic cell; Eq. 13 gives the Ewald sum and 'const.'. The WAP-net values it quotes equal arXiv:2202.04622's Table III (Madelung included) / 2 to 5e-7, and its own N = 14, rs = 1 energy sits 0.0376 Ha below QMBL's HF energy, as theirs does.

-0.013840(1) — DeepSolid (1 determinant, 3 layers 256/32)

Checked 2026-10-16 · source text of arXiv:2203.15472 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. -0.013840(1)

Supplementary Table 11, row rs=2, column 'Net'; sources/2203.15472.txt line 1015; printed in Ha per electron; version read: arXiv:2203.15472v2 text, Supplementary Table 11; Nature Communications copy not read | Ha per electron, 54-electron closed-shell gas in a simple cubic cell (27 + 27); QMBL's HF check: at rs = 0.5 the energy 3.221226 sits 0.044 Ha below QMBL's HF energy 3.2653295.

-0.01382(2) — Slater-Jastrow-backflow (homogeneous backflow)

Checked 2026-10-17 · source text of arXiv:0801.0518 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.01382(2)

Table I, rs=2.0, row BF; sources/0801.0518.txt line 256; printed in Ha per electron; version read: arXiv text, Table I; APS copy not read | Ha per electron, 54 electrons (27 + 27) in a simple cubic cell. The paper's Hartree-Fock energies (VMC of the plane-wave determinant) match QMBL's HF energy within their error bars at all six rs, e.g. 0.5689(4) against 0.569245 at rs = 1 (checks/heg-hf/convention-check-2026-10-17.json).

-0.01379 — TC-DCD (correlator cutoff k_c = 2 × 2π/L; extrapolated: 1/M...

Checked 2026-10-17 · source text of arXiv:2103.03176 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. -0.01379

Table II, row rs=2.0, column TC-DCD; sources/2103.03176.txt line 391; printed in Ha per electron; version read: arXiv text, Tables I and II; APS copy not read | 'Total energy (a.u./electron), including the Madelung constant' (Table captions), 14 and 54 electrons in a simple cubic cell; the CC energies are extrapolated to the complete basis (linear in 1/M, Sec. IV). At N = 54, rs = 1 the DCD value agrees with arXiv:0801.0518's backflow DMC to 1e-4 Ha.

-0.01326(2) — Fixed-node DMC (trial state: Slater-Jastrow)

Checked 2026-10-16 · source text of arXiv:2305.07240 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.01326(2)

Table II (Appendix G), N=54 unpolarized, rs=2, column FN-DMC; sources/2305.07240.txt line 679; printed in Ha per electron; version read: arXiv text, Appendix G Tables I-V; APS copy not read | Ha per electron, simple cubic cell; Eq. 13 gives the Ewald sum and 'const.'. The WAP-net values it quotes equal arXiv:2202.04622's Table III (Madelung included) / 2 to 5e-7, and its own N = 14, rs = 1 energy sits 0.0376 Ha below QMBL's HF energy, as theirs does.

-0.01324 — TC-CCD (correlator cutoff k_c = 2 × 2π/L; extrapolated: 1/M...

Checked 2026-10-17 · source text of arXiv:2103.03176 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. -0.01324

Table II, row rs=2.0, column TC-CCD; sources/2103.03176.txt line 391; printed in Ha per electron; version read: arXiv text, Tables I and II; APS copy not read | 'Total energy (a.u./electron), including the Madelung constant' (Table captions), 14 and 54 electrons in a simple cubic cell; the CC energies are extrapolated to the complete basis (linear in 1/M, Sec. IV). At N = 54, rs = 1 the DCD value agrees with arXiv:0801.0518's backflow DMC to 1e-4 Ha.

-0.01311(2) — Fixed-node DMC (trial state: Slater-Jastrow; extrapolated:...

Checked 2026-10-17 · source text of arXiv:0801.0518 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.01311(2)

Table I, rs=2.0, row SJ, column ED; sources/0801.0518.txt line 254; printed in Ha per electron; version read: arXiv text, Table I; APS copy not read | Ha per electron, 54 electrons (27 + 27) in a simple cubic cell. The paper's Hartree-Fock energies (VMC of the plane-wave determinant) match QMBL's HF energy within their error bars at all six rs, e.g. 0.5689(4) against 0.569245 at rs = 1 (checks/heg-hf/convention-check-2026-10-17.json).

-0.01286 — DCD (extrapolated: 1/M → 0 (complete basis))

Checked 2026-10-17 · source text of arXiv:2103.03176 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. -0.01286

Table II, row rs=2.0, column DCD; sources/2103.03176.txt line 391; printed in Ha per electron; version read: arXiv text, Tables I and II; APS copy not read | 'Total energy (a.u./electron), including the Madelung constant' (Table captions), 14 and 54 electrons in a simple cubic cell; the CC energies are extrapolated to the complete basis (linear in 1/M, Sec. IV). At N = 54, rs = 1 the DCD value agrees with arXiv:0801.0518's backflow DMC to 1e-4 Ha.

-0.01252(3) — Slater-Jastrow (three-electron Jastrow)

Checked 2026-10-17 · source text of arXiv:0801.0518 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.01252(3)

Table I, rs=2.0, row SJ3; sources/0801.0518.txt line 255; printed in Ha per electron; version read: arXiv text, Table I; APS copy not read | Ha per electron, 54 electrons (27 + 27) in a simple cubic cell. The paper's Hartree-Fock energies (VMC of the plane-wave determinant) match QMBL's HF energy within their error bars at all six rs, e.g. 0.5689(4) against 0.569245 at rs = 1 (checks/heg-hf/convention-check-2026-10-17.json).

-0.01246(3) — Slater-Jastrow

Checked 2026-10-17 · source text of arXiv:0801.0518 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. −0.01246(3)

Table I, rs=2.0, row SJ; sources/0801.0518.txt line 254; printed in Ha per electron; version read: arXiv text, Table I; APS copy not read | Ha per electron, 54 electrons (27 + 27) in a simple cubic cell. The paper's Hartree-Fock energies (VMC of the plane-wave determinant) match QMBL's HF energy within their error bars at all six rs, e.g. 0.5689(4) against 0.569245 at rs = 1 (checks/heg-hf/convention-check-2026-10-17.json).

-0.01162 — CCD (extrapolated: 1/M → 0 (complete basis))

Checked 2026-10-17 · source text of arXiv:2103.03176 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. -0.01162

Table II, row rs=2.0, column CCD; sources/2103.03176.txt line 391; printed in Ha per electron; version read: arXiv text, Tables I and II; APS copy not read | 'Total energy (a.u./electron), including the Madelung constant' (Table captions), 14 and 54 electrons in a simple cubic cell; the CC energies are extrapolated to the complete basis (linear in 1/M, Sec. IV). At N = 54, rs = 1 the DCD value agrees with arXiv:0801.0518's backflow DMC to 1e-4 Ha.

-0.0112326 — CCD (full CCD (driver, ladders, rings, crossed-rings...

Checked 2026-10-19 · source text of arXiv:1310.6806 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. E_c = -1.620

Table II, rs=2.0, column CCD; sources/1310.6806.txt line 462; printed in Ha, total; printed correlation energy -1.620, E = E_HF + E_c with E_HF = 0.0187673646843 Ha per electron (QMBL, checks/heg-hf/hf.mjs); version read: arXiv text in sources/; journal copy not read | Sec. II (txt line 64-81): HF eigenvalues with the zero-momentum integral given by 'vM, the Madelung constant ... defined uniquely for a cell geometry and box length, and here we calculate it to be vM L ~ 2.8372'. No Ewald-sum statement beyond that. The paper prints correlation energies only, which do not depend on the Madelung term, and no Hartree-Fock energy.

0.0186(2) — Hartree-Fock (plane-wave determinant, VMC estimate)

Checked 2026-10-17 · source text of arXiv:0801.0518 read locally (arXiv HTML or pypdf layout text); value copied from the harvested cell and the text, no LLM transcription of numbers; single reading

Reported as. 0.0186(2)

Table I, rs=2.0, row HF; sources/0801.0518.txt line 253; printed in Ha per electron; version read: arXiv text, Table I; APS copy not read | Ha per electron, 54 electrons (27 + 27) in a simple cubic cell. The paper's Hartree-Fock energies (VMC of the plane-wave determinant) match QMBL's HF energy within their error bars at all six rs, e.g. 0.5689(4) against 0.569245 at rs = 1 (checks/heg-hf/convention-check-2026-10-17.json).

Coverage

Newest published number here: 2024.

This instance as data

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