pith:KQGK2CAE
Degenerate coupled-cluster theory
A new coupled-cluster ansatz called ΔCC computes energies and wave functions from any degenerate or nondegenerate Slater-determinant reference while staying size-extensive and converging to full configuration interaction.
arxiv:2601.17163 v4 · 2026-01-23 · physics.chem-ph · cond-mat.str-el · nucl-th
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Record completeness
Claims
A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of stationary states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries.
That the newly defined ΔCC ansatz is size-extensive and converges to the full-configuration-interaction limit for arbitrary references and that the slight modification yielding QCC preserves these properties without introducing uncontrolled approximations.
A size-extensive, converging, black-box coupled-cluster ansatz (ΔCC) is introduced for arbitrary degenerate or nondegenerate references, reducing to standard CC when appropriate, with a related state-universal QCC variant developed for strong correlation.
Formal links
Receipt and verification
| First computed | 2026-05-17T23:39:00.169793Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
540cad0804beeea2ca84e0464233ca80bcf46dd9f593398d352e3f3acb9aaf7e
Aliases
· · · · ·Agent API
Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/KQGK2CAEX3XKFSUE4BDEEM6KQC \
| 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: 540cad0804beeea2ca84e0464233ca80bcf46dd9f593398d352e3f3acb9aaf7e
Canonical record JSON
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"license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
"primary_cat": "physics.chem-ph",
"submitted_at": "2026-01-23T20:49:00Z",
"title_canon_sha256": "fc5334df801a7ce2703a6dc8cb517cc5cde8b69d8990f2bfa3279ae14dde43e4"
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