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Electron gas, 3D sc cell, N = 114, rs = 1, unpolarized

Record

0.59877(6) E/N (Ha)

ph-AFQMC (RHF trial, time step 0.005 a.u., 2880 walkers; basis M=2109)

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↑ = 57, N↓ = 57 in a periodic sc cell at rs = 1 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
114
boundary
periodic
N_up
57
N_dn
57
rs
1
twist
Gamma
energies
2

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 (1)

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
0.6039 5.2e-3 2.5e-4 n/a n/a Slater-Jastrow
peer reviewed
10.1103/PhysRevB.58.6800 1998

Projected or fixed-node estimates (1)

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
0.59877record 0 6.0e-5 n/a n/a ph-AFQMC (RHF trial, time step 0.005 a.u., 2880 walkers; basis M=2109)
peer reviewed
10.1063/1.5109572 n/a

How these numbers were read

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

0.59877(6) — 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. 0.59877(6)

Table VI, rs=1.0; sources/1905.04361.txt line 676; 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

0.6039(3) — Slater-Jastrow

Checked 2026-10-17 · source text of arXiv:cond-mat/9803092 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. 1.2079(5)

Table III, row N=114, rs=1.0; sources/cond-mat-9803092.txt line 658; printed in Ry per electron; version read: arXiv text (sources/cond-mat-9803092.txt), Tables II and III; APS copy not read | Ry per electron (converted × 1/2), N electrons in a cube with periodic boundary conditions (simple cubic). Checked against arXiv:0801.0518 on the same instance: the fixed-node DMC energy with backflow nodes, 1.0601(2) Ry = 0.53005 Ha at N = 54, rs = 1, agrees with its 0.52989(1) Ha, 0.0376 Ha below QMBL's HF energy 0.569245.

Coverage

Newest published number here: 1998.

This instance as data

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