Pith Number

pith:KIVKGFLP

pith:2026:KIVKGFLPHOAOIRBB5VEVB275NR

not attested not anchored not stored refs resolved

Seniority-zero Quadratic Canonical Transformation Theory

Daniel F. Calero-Osorio, Paul W. Ayers

Seniority-zero quadratic canonical transformation allows approximate four-body terms to improve accuracy for strongly correlated electrons.

arxiv:2604.26202 v1 · 2026-04-29 · physics.chem-ph

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\usepackage{pith}
\pithnumber{KIVKGFLPHOAOIRBB5VEVB275NR}

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2 Internet Archive

3 Author claim open · sign in to claim

4 Citations open

5 Replications open

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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

Numerical tests reveal that the seniority-zero quadratic canonical transformation method (SZ-QCT) delivers good accuracy, with most errors within chemical accuracy. In particular, SZ-QCT shows sub-millihartree errors in cases where larger generators are needed to recover the residual dynamic correlation.

C2weakest assumption

The assumption that approximate four-body contributions can be retained in the BCH expansion while preserving the validity and accuracy of the seniority-zero mapping without introducing uncontrolled errors or violating the unitary transformation properties.

C3one line summary

SZ-QCT relaxes the small-generator limit of prior seniority-zero methods by retaining approximate four-body operators, yielding sub-millihartree accuracy for strongly correlated systems at O(N^8) scaling.

References

170 extracted · 170 resolved · 0 Pith anchors

[2] Helgaker , author P 2000 · doi:10.1002/9781119019572.ch11

[4] Physical Review , author = 1955 · doi:10.1103/physrev.97.1474

[5] Chemical Physics Letters , author = 1984 · doi:10.1016/0009-2614(84)85513-x

[6] Olsen , author B 1988 · doi:10.1063/1.455063

[7] David Sherrill and Henry F 1999 · doi:10.1016/s0065-3276(08)60045-0

Receipt and verification

First computed	2026-06-10T01:10:02.025552Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

522aa3156f3b80e44421ed4950ebfd6c66cfaa46f5131c6266dc71817f7d1c08

Aliases

arxiv: 2604.26202 · arxiv_version: 2604.26202v1 · doi: 10.48550/arxiv.2604.26202 · pith_short_12: KIVKGFLPHOAO · pith_short_16: KIVKGFLPHOAOIRBB · pith_short_8: KIVKGFLP

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/KIVKGFLPHOAOIRBB5VEVB275NR \
  | 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: 522aa3156f3b80e44421ed4950ebfd6c66cfaa46f5131c6266dc71817f7d1c08

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "20b9e251561ad1568b55bab1713a9a556e09d12334ed5e7883cef311b6850235",
    "cross_cats_sorted": [],
    "license": "http://creativecommons.org/licenses/by-nc-nd/4.0/",
    "primary_cat": "physics.chem-ph",
    "submitted_at": "2026-04-29T01:12:18Z",
    "title_canon_sha256": "799db0eb0ef424fde6258b00e9426da50e5047160c959c45195ea122b267a3b7"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.26202",
    "kind": "arxiv",
    "version": 1
  }
}