Pith Number

pith:46KPP23G

pith:2026:46KPP23GL6GHJI64IANMEZGV6R

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Low-scaling \textit{GW} calculations of quasi-particle energies for extended systems within the numerical atomic orbital framework

Min-Ye Zhang, Peize Lin, Rong Shi, Xinguo Ren

Space-time algorithm in numerical atomic orbitals reduces GW scaling to O(N^2) for quasi-particle energies.

arxiv:2603.27292 v2 · 2026-03-28 · cond-mat.mtrl-sci

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Claims

C1strongest claim

the low-scaling implementation yields quasi-particle energies in close agreement with the conventional O(N^4) k-space formalism previously implemented in FHI-aims... the low-scaling implementation becomes advantageous already for systems containing fewer than 100 atoms.

C2weakest assumption

The localized resolution of identity (LRI) technique preserves sufficient accuracy for the polarization function and self-energy when applied to extended periodic systems in the NAO basis.

C3one line summary

A NAO-based LRI-enhanced space-time GW method reduces scaling to O(N^2) while matching conventional results for quasi-particle energies in solids with fewer than 100 atoms.

References

12 extracted · 12 resolved · 0 Pith anchors

[1] Inhomogeneous Electron Gas.Phys 1964

[2] New Method for Calculating the One-Particle Green’s Function with Appli- cation to the Electron-Gas Problem.1965,139, A796–A823 1965

[3] Electronic Excitations: Density-Functional versus Many-Body Green’s-Function Approaches.Rev 2002

[4] r.; Kaltak, M.; Kresse, G 2025

[5] M.; Steinbeck, L.; White, I 1999

Formal links

2 machine-checked theorem links

Cited by

1 paper in Pith

$G^0W^0$ implementation based on the pseudopotential and numerical-atomic-orbital basis-set framework: Algorithms and benchmarks

Receipt and verification

First computed	2026-05-22T01:04:01.010491Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

e794f7eb665f8c74a3dc401ac264d5f4761a0827529d99829dc5569f35c5c6ca

Aliases

arxiv: 2603.27292 · arxiv_version: 2603.27292v2 · doi: 10.48550/arxiv.2603.27292 · pith_short_12: 46KPP23GL6GH · pith_short_16: 46KPP23GL6GHJI64 · pith_short_8: 46KPP23G

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/46KPP23GL6GHJI64IANMEZGV6R \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: e794f7eb665f8c74a3dc401ac264d5f4761a0827529d99829dc5569f35c5c6ca

Canonical record JSON

{
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    "abstract_canon_sha256": "6e563010f7b0a79a72ac785c0745c046fb3711c0e19b496f7ab92a68b6a7bdb5",
    "cross_cats_sorted": [],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2026-03-28T14:48:16Z",
    "title_canon_sha256": "1ddba211f519f049e07a728dcf89ce6c20d2cde8ee4d9d5ba8761ef0fd87e7c9"
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  "source": {
    "id": "2603.27292",
    "kind": "arxiv",
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}