Pith Number

pith:YXACUU3F

pith:2026:YXACUU3FYZHUOFNYBJA25ZTKMF

not attested not anchored not stored refs resolved

Reducing the Complexity of Density-Matrix Functionals in a Real-Space-Decomposed DF+RDMF Scheme with the Adaptive Cluster Approximation

Konstantin Tamoev, Robert Schade, Thomas D. K\"uhne

A real-space split of the Coulomb interaction lets reduced-density-matrix corrections be applied only where needed, fixing the geometry of carbon suboxide.

arxiv:2605.16666 v1 · 2026-05-15 · physics.chem-ph · cond-mat.dis-nn · cond-mat.mtrl-sci · cond-mat.str-el · physics.comp-ph

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\usepackage{pith}
\pithnumber{YXACUU3FYZHUOFNYBJA25ZTKMF}

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Record completeness

1 Bitcoin timestamp

2 Internet Archive

3 Author claim open · sign in to claim

4 Citations open

5 Replications open

✓ Portable graph bundle live · download bundle · merged state

The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

While semilocal PBE favors a linear molecule, the DF+RDMF/ACA correction stabilizes a bent configuration in qualitative agreement with the quasilinear behavior inferred from spectroscopy.

C2weakest assumption

The Coulomb interaction can be partitioned locally in real space such that the RDMF correction needs to be evaluated only for the strongly correlated part without significant loss of overall accuracy (abstract, paragraph on scheme formulation).

C3one line summary

A DF+RDMF/ACA method reduces RDMFT complexity via real-space Coulomb partitioning and adaptive bath clustering, stabilizing the bent structure of C3O2 in agreement with spectroscopy unlike PBE.

References

46 extracted · 46 resolved · 0 Pith anchors

[1] Semilocal PBE favors the linear structure, whereas the real-space-decomposed DF+RDMF/ACA selected-CI result stabilizes a bent geometry. With this partition the interaction contribution is ap- proximat

[2] J. A. Pople, Rev. Mod. Phys.71, 1267 (1999) 1999

[3] W. Kohn, Rev. Mod. Phys.71, 1253 (1999) 1999

[4] K. Pernal and K. J. H. Giesbertz, inDensity-Functional Methods for Excited States(Springer International Pub- lishing, Cham, 2015) pp. 125–183 2015

[5] T. L. Gilbert, Phys. Rev. B12, 2111 (1975) 1975

Formal links

2 machine-checked theorem links

Receipt and verification

First computed	2026-05-20T00:02:35.333460Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

c5c02a5365c64f4715b80a41aee66a61417e0adada595a401d7512051db8d742

Aliases

arxiv: 2605.16666 · arxiv_version: 2605.16666v1 · doi: 10.48550/arxiv.2605.16666 · pith_short_12: YXACUU3FYZHU · pith_short_16: YXACUU3FYZHUOFNY · pith_short_8: YXACUU3F

Agent API

Resolver JSON Graph JSON Events JSON Schema Signing key

Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/YXACUU3FYZHUOFNYBJA25ZTKMF \
  | 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: c5c02a5365c64f4715b80a41aee66a61417e0adada595a401d7512051db8d742

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "981b8723696dc406b0323a348db3a5ccb50c073827525ff962cddfa5f328ae81",
    "cross_cats_sorted": [
      "cond-mat.dis-nn",
      "cond-mat.mtrl-sci",
      "cond-mat.str-el",
      "physics.comp-ph"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "physics.chem-ph",
    "submitted_at": "2026-05-15T22:04:35Z",
    "title_canon_sha256": "7d404e112e7b1b2b096056752699752409c86d7fdfe3cfa3e841f6885a5ab305"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2605.16666",
    "kind": "arxiv",
    "version": 1
  }
}